Version2.2 2021-02-10T23:49:08Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 09-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc2c(c(c1)NC(=O)NCC3CC[NH+](CC3)Cc4ccc(cc4)F)CCCC2 C20889740 RHF 6-31G(d) (6D,7F) c1cc2c(c(c1)NC(=O)NCC3CC[NH+](CC3)Cc4ccc(cc4)F)CCCC2 C01[X(C24H31F1N3O1)] 174 C1 497 O=C(Nc1cccc2c1CCCC2)NCC1CC[NH+](CC1)Cc1ccc(cc1)F O=C(Nc1cccc2c1CCCC2)NCC1CC[NH+](CC1)Cc1ccc(cc1)F Fc1ccc(C[NH+]2CCC(CC2)CNC(=O)Nc3cccc4CCCCc34)cc1 InChIKey=RMERSYIMPNOSNY-UHFFFAOYSA-O InChI=1S/C24H30FN3O/c25-21-10-8-19(9-11-21)17-28-14-12-18(13-15-28)16-26-24(29)27-23-7-3-5-20-4-1-2-6-22(20)23/h3,5,7-11,18H,1-2,4,6,12-17H2,(H2,26,27,29)/p+1 InChI=1/C24H30FN3O/c25-21-10-8-19(9-11-21)17-28-14-12-18(13-15-28)16-26-24(29)27-23-7-3-5-20-4-1-2-6-22(20)23/h3,5,7-11,18H,1-2,4,6,12-17H2,(H2,26,27,29)/p+1/fC24H31FN3O/h26-28H/q+1 c1cc2c(c(c1)NC(=O)NCC3CC[NH+](CC3)Cc4ccc(cc4)F)CCCC2 C01[X(C24H31F1N3O1)] 174 C01 497 O=C(Nc1cccc2c1CCCC2)NCC1CC[NH+](CC1)Cc1ccc(cc1)F O=C(N[C]1[CH][CH][CH][C]2[C]1CCCC2)NC[C@@H]1CC[NH](CC1)C[C]1[CH][CH][C]([CH][CH]1)F F[C]1[CH][CH][C]([CH][CH]1)C[NH]2CCC(CC2)CNC(=O)N[C]3[CH][CH][CH][C]4CCCC[C]34 InChIKey=CLQYMDPMSPDAJX-UHFFFAOYSA-N InChI=1S/C24H31FN3O/c25-21-10-8-19(9-11-21)17-28-14-12-18(13-15-28)16-26-24(29)27-23-7-3-5-20-4-1-2-6-22(20)23/h3,5,7-11,18,28H,1-2,4,6,12-17H2,(H2,26,27,29) InChI=1/C24H31FN3O/c25-21-10-8-19(9-11-21)17-28-14-12-18(13-15-28)16-26-24(29)27-23-7-3-5-20-4-1-2-6-22(20)23/h3,5,7-11,18,28H,1-2,4,6,12-17H2,(H2,26,27,29)/f/h26-27H 2619.5406638473 -1264.3951682 1-A 20452.1282 106 391 497 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.41433 -20.60111 -15.83998 -15.67612 -15.67029 -11.46199 -11.44182 -11.44009 -11.43512 -11.42509 -11.37652 -11.37314 -11.37168 -11.37159 -11.36924 -11.35921 -11.35447 -11.35407 -11.35291 -11.33687 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7.2336 7.3044 7.3749 7.5176 7.5197 7.5538 8.6368 9.4888 9.5762 0.0538 0.4425 0.8839 0.8271 0.3799 2.1228 4.3788 0.6627 14.0841 1.2831 5.0554 1.3337 3.9051 1.0259 1.0446 1.3033 1.0429 7.8510 1.0077 0.9622 6.5943 3.5556 15.7674 4.7017 6.5867 23.2792 0.0520 2.8069 3.5423 3.7744 0.0565 0.9003 1.3268 0.7880 0.4741 70.9573 80.4077 19.1571 25.6064 5.3159 2.9986 4.6295 14.7152 1.4804 0.2457 4.6624 1.9406 1.6799 0.6143 20.0566 0.5238 20.5774 0.5317 8.8233 44.0401 15.7922 17.8909 3.7841 0.5490 0.1775 87.5209 3.6492 4.2335 14.8173 37.9815 9.4067 13.2989 14.0759 5.1469 5.4927 1.8371 1.3452 0.0764 4.4946 0.7874 1.1219 1.3511 12.9539 13.5277 0.3636 0.5756 4.0788 5.9651 4.0294 1.4618 4.4018 3.7354 25.6064 0.2959 9.9176 10.7775 0.1863 16.2190 0.5853 20.2712 1.2617 256.0237 67.6870 9.5976 6.3637 16.5909 46.4309 125.7910 91.9415 6.5080 59.3765 27.1863 6.2701 6.7700 9.4735 4.8928 0.9187 4.6989 3.9884 1.3367 5.5778 1.8956 36.9410 22.7221 41.3905 91.1689 7.9375 71.3924 35.5441 4.5655 4.4460 9.5731 0.9906 1.2114 16.6794 3.3219 62.5577 5.3638 0.9204 20.3869 66.0986 98.7025 804.1661 52.0591 5.1370 28.9906 101.9204 294.2115 37.8452 12.5527 18.4471 18.3707 30.6108 19.3481 60.7829 40.8471 35.4367 75.4709 4.4553 67.3814 5.5680 6.5241 6.8954 22.8154 13.2919 6.6024 5.4814 5.7130 4.8317 10.6229 8.4292 7.6227 24.5139 0.3234 0.0476 6.0805 28.0065 17.5511 50.5675 2.7934 2.5266 0.7514 1.8419 7.2451 1.2157 1.0250 0.7054 1.7939 0.9097 1.7565 0.4793 1.2104 2.2700 0.8062 0.6250 0.2618 1.3367 1.1365 1.6791 1.7062 0.5672 0.7660 0.5717 1.1771 1.3925 0.1444 2.9022 3.4923 0.1938 0.0551 2.6316 2.5113 2.4194 2.7796 0.6763 2.2859 1.9334 1.6182 0.3326 0.8546 6.9227 1.0471 4.0574 5.9784 12.7611 0.8899 2.8907 7.0033 6.7884 9.1891 0.4689 2.2933 2.8590 1.1205 2.3988 26.9065 1.8125 2.5227 2.3830 1.1660 0.9185 0.2037 0.8150 0.8690 2.9200 1.9303 3.3420 4.5366 0.6501 0.9199 2.2971 0.3146 6.8899 0.5183 0.3293 6.9753 34.6797 4.3016 6.7627 3.0326 9.6844 1.1573 4.9982 4.4339 8.0250 4.2716 2.4241 1.2261 7.6546 3.7172 3.2499 2.3008 2.8046 19.9723 8.5644 1.5734 2.0444 4.3848 1.1007 5.5560 21.1247 8.5423 14.1157 19.2605 15.5366 6.4302 1.1836 8.0114 3.8939 0.2194 1.0317 3.1722 11.6719 1.1520 1.4120 3.6402 8.5667 1.9524 3.3862 10.4472 1.8370 8.8405 3.4760 6.7292 7.7003 17.2442 3.2775 4.1541 12.3606 19.7443 2.7845 10.4892 2.3711 8.3678 2.8951 1.4253 7.0771 32.0540 6.8908 12.4520 36.0300 16.0863 79.7481 69.7907 97.0496 118.0862 24.3300 27.4097 90.1598 82.6458 95.0733 183.0925 53.3714 107.3218 49.6887 17.2385 38.3410 168.5861 38.0801 83.9314 28.0730 55.0998 54.3168 53.2205 69.7482 48.2311 149.3648 151.0005 73.4209 92.3282 14.1564 27.5936 71.0445 0.7412 0.7434 0.7406 0.7393 0.7464 0.7469 0.6887 0.7293 0.7395 0.6812 0.6647 0.6976 0.6030 0.1998 0.3680 0.2298 0.7116 0.7500 0.5129 0.5287 0.7489 0.5306 0.3571 0.5830 0.4384 0.7472 0.5843 0.4311 0.3415 0.2533 0.1745 0.2195 0.4473 0.7489 0.5458 0.6851 0.6473 0.3688 0.6674 0.3389 0.5652 0.1632 0.7257 0.3420 0.7499 0.0845 0.1549 0.2267 0.3318 0.0621 0.1788 0.6748 0.4611 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0.7078 0.5829 0.4138 0.2750 0.6721 0.3318 0.3165 0.4723 0.2349 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 57 58 59 60 6 6 6 6 6 6 7 6 8 7 6 6 6 6 7 1 6 6 6 6 6 6 6 6 6 9 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 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 1.00783 1.00783 1.00783 1.00783 8109.1799 31241.0686 35279.9281 0.99978 0.02088 -0.00357 -0.02092 0.99973 -0.01053 0.00335 0.01060 0.99994 1 0.01068 0.00277 0.00246 0.22256 0.05777 0.05115 12.89 25.28 27.34 59.69 65.31 74.39 94.92 112.14 132.13 158.35 173.47 211.41 240.48 266.26 322.84 341.90 358.68 378.32 409.60 439.52 467.14 476.56 481.69 498.27 511.16 542.90 631.75 645.54 649.21 664.54 670.32 692.14 704.48 716.06 726.77 771.34 791.82 795.61 809.59 866.26 874.69 922.11 936.34 949.12 1004.31 1084.81 1126.45 1133.75 1179.37 1190.54 1218.28 1229.91 1243.78 1252.84 1268.41 1311.41 1330.58 1332.56 1345.91 1350.60 1381.10 1394.75 1407.60 1446.19 1448.00 1480.54 1488.72 1502.06 1513.83 1540.78 1548.42 1568.30 1584.86 1589.44 1599.06 1600.22 1615.31 1628.48 1652.98 1668.96 1704.88 1717.09 1724.03 1742.54 1748.79 1753.11 1796.77 1813.44 1820.89 1841.27 1851.02 1859.49 1865.45 1872.67 1905.76 1915.55 1936.69 1956.16 1967.36 1985.27 2011.18 2028.19 2031.59 2036.66 2043.81 2053.62 2084.74 2092.22 2121.25 2142.91 2147.87 2156.80 2181.23 2186.45 2202.26 2210.62 2217.52 2241.95 2252.21 2262.14 2275.31 2276.58 2286.05 2314.84 2325.76 2342.23 2344.17 2353.61 2355.36 2357.85 2360.12 2364.45 2369.83 2382.91 2390.59 2421.70 2448.21 2484.18 2570.56 2571.50 2605.74 2613.19 2787.72 4535.42 4583.11 4589.02 4598.49 4603.98 4609.92 4639.70 4655.60 4663.26 4669.79 4670.52 4678.26 4688.51 4698.66 4702.47 4714.46 4743.02 4764.95 4780.04 4795.51 4817.35 4820.21 4829.98 4847.60 4864.61 4909.78 4910.34 4923.39 5305.33 5559.53 5587.54 0.561808 0.586296 0.587240 0.503158 -1263.833361 -1263.808872 -1263.807928 -1263.892011 2.820158D-04 MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE c1cc2c(c(c1)NC(=O)NCC3CC[NH+](CC3)Cc4ccc(cc4)F)CCCC2 C20889740 RHF 6-31G(d) (6D,10F) C1 396.245116 |X|Y|Z| 125.428037 58.437383 36.122408 64.212665 27 6 7 24 3 |36.858105| |13.813136|36.858105| |7.898859|13.695038|36.858105| |6.827171|7.914723|13.657528|36.858105| |7.978939|6.925303|7.928456|13.612621|36.858105| |13.767981|7.962441|6.831715|7.851902|13.781949|36.858105| |5.159441|4.563832|5.151316|7.846754|13.375937|7.840060|53.358707| |4.337322|3.731343|3.966322|5.290337|7.701324|6.251096|19.104513|36.858105| |4.497351|3.721547|3.756786|4.672670|6.623463|6.361434|11.425021|15.829388|73.516695| |3.330131|2.985268|3.206984|4.113630|5.204421|4.369561|11.287177|13.818065|15.053743|53.358707| |2.835602|2.529231|2.635573|3.189956|3.888516|3.555774|7.146861|7.802733|12.372662|17.898334|36.858105| |2.497386|2.282521|2.393823|2.840931|3.290551|3.008932|5.649299|5.627775|9.777175|10.379512|12.416033|36.858105| |2.163655|1.976448|2.034915|2.339023|2.668846|2.534442|4.347771|4.062499|7.403100|6.779301|7.583590|12.420745|36.858105| |1.934408|1.796465|1.853993|2.097243|2.325170|2.209945|3.661347|3.266338|6.007593|5.147807|4.904133|7.492198|12.504355|36.858105| |2.021055|1.881154|1.936243|2.175947|2.398901|2.291092|3.695442|3.292958|6.288939|4.899588|4.370329|6.439069|7.636877|12.688335|53.358707| |2.090284|1.922663|1.952185|2.178222|2.430311|2.367799|3.701802|3.330027|6.593114|4.808896|4.328078|5.915066|7.162896|9.314926|25.691631|0.500000| |2.269008|2.125982|2.224508|2.546168|2.798968|2.603111|4.365367|3.940011|7.474755|5.809544|4.877944|7.525791|6.537733|7.701675|17.223515|0.259724|36.858105| |2.675415|2.451217|2.565927|3.026794|3.479347|3.196898|5.710561|5.671280|10.965412|8.545140|7.456471|12.435572|7.618397|6.527668|10.406684|0.200514|12.514972|36.858105| |1.779715|1.679881|1.728146|1.908403|2.056361|1.972690|3.089207|2.642670|4.987376|3.851556|3.258991|4.334298|4.952261|7.632152|17.135791|0.258697|7.556152|4.937228|36.858105| |1.779929|1.685591|1.721054|1.873485|2.003216|1.944118|2.935180|2.475756|4.765183|3.471917|2.837658|3.558464|3.820614|4.977516|10.318953|0.203639|6.122277|4.286478|12.655571|36.858105| |1.761389|1.691873|1.740861|1.884343|1.978629|1.904194|2.863117|2.366155|4.508241|3.275769|2.581485|3.169918|3.210794|3.952903|7.490935|0.143117|5.407058|3.872127|7.554718|13.700248|36.858105| |1.716969|1.657098|1.691437|1.801597|1.876372|1.826679|2.658753|2.162977|4.151156|2.929524|2.268416|2.674533|2.681900|3.134111|5.570141|0.112769|4.109737|3.233433|5.018425|7.896279|13.771360|36.858105| |1.692707|1.619412|1.629674|1.721185|1.807830|1.790596|2.542035|2.072390|4.032036|2.781213|2.171834|2.508944|2.566868|2.945769|5.138302|0.109847|3.622843|2.991084|4.470061|6.910965|8.020397|13.811559|36.858105| |1.705936|1.611090|1.610227|1.708817|1.821733|1.819408|2.584045|2.137121|4.197253|2.886845|2.307630|2.674469|2.831996|3.282025|5.777335|0.129935|3.787738|3.151172|5.029486|7.891717|6.860821|7.884259|13.792659|36.858105| |1.748411|1.642351|1.652329|1.778533|1.913967|1.894650|2.769050|2.330684|4.562575|3.214245|2.636961|3.166773|3.472826|4.256741|8.003870|0.183563|4.728100|3.729581|7.588648|13.676450|7.945319|6.865995|8.024733|13.791536|36.858105| |1.623011|1.561708|1.562096|1.627770|1.695641|1.692275|2.349368|1.886926|3.663318|2.504968|1.929124|2.172930|2.201531|2.455885|4.100852|0.087674|2.953721|2.548788|3.414516|4.676074|5.328241|8.198731|14.459839|8.197925|5.331496|97.533100| |4.418829|4.996319|7.494786|12.525068|7.525341|4.995953|9.112383|4.781782|7.181382|5.579876|3.143821|2.873752|2.338980|2.120797|2.972114|0.059529|2.586061|3.019706|1.928451|1.873216|1.901977|1.801307|1.694415|1.669741|1.748965|3.587869|36.858105| |3.713485|4.467078|6.609378|7.468359|4.959697|3.836536|5.966168|3.512237|5.596855|4.265959|2.553008|2.419222|2.026114|1.885707|2.665848|0.053248|2.297580|2.570278|1.771815|1.742841|1.797774|1.724528|1.616135|1.572389|1.627581|3.458645|12.459363|36.858105| |3.856438|4.999890|7.492261|6.592512|4.453250|3.711353|5.077890|3.015441|4.921970|3.642832|2.233988|2.093891|1.795599|1.671171|2.353791|0.047480|1.982780|2.203977|1.576286|1.560486|1.602161|1.553803|1.474575|1.439171|1.477456|3.187959|7.589388|12.495498|36.858105| |5.029707|7.603717|12.539594|7.483651|4.993623|4.423079|5.214480|3.114046|5.251229|3.625529|2.243470|2.089721|1.802038|1.671868|2.377074|0.048539|1.994844|2.232531|1.587015|1.587411|1.624476|1.589410|1.523919|1.490606|1.519342|3.312354|6.387912|7.637641|12.483170|36.858105| |17.721997|8.929957|5.628432|4.928526|5.666078|8.934303|5.687617|3.743135|7.120088|4.037182|2.617477|2.319276|2.053926|1.843768|2.622860|0.055849|2.126450|2.476953|1.707223|1.717525|1.691543|1.660502|1.655440|1.677036|1.707785|3.593942|3.536932|3.086491|3.232692|4.106993|0.500000| |8.947538|17.703196|8.928249|5.638995|4.977997|5.658952|4.938883|3.090515|5.541140|3.479419|2.219556|2.031370|1.788375|1.643494|2.345674|0.048978|1.926624|2.178505|1.557793|1.573651|1.585549|1.567013|1.538416|1.525322|1.541846|3.368627|4.076482|3.916697|4.599682|7.119467|0.215581|0.500000| |8.903202|5.656343|4.935316|5.615291|8.945021|17.778307|9.801630|6.703685|13.137959|6.325334|3.912500|3.210683|2.733141|2.338794|3.277311|0.070016|2.692857|3.364394|2.048381|2.008436|1.937528|1.850434|1.829914|1.884678|1.975125|3.872631|4.087302|3.218942|3.086761|3.541901|0.214682|0.124308|0.500000| |4.338616|4.067813|4.777086|7.211422|9.218618|5.906809|26.090045|9.426410|10.841081|10.734056|4.950880|3.961896|3.062833|2.596326|3.503131|0.070517|3.022114|3.843416|2.174489|2.045831|2.003855|1.853333|1.760543|1.783329|1.915521|3.662810|7.359776|4.638786|3.865419|3.750353|0.099668|0.092186|0.150617|0.500000| |3.152219|2.883232|3.147139|4.052164|4.932829|4.054721|10.628486|9.344825|10.908417|26.059199|9.132469|6.039469|4.310872|3.375579|4.284717|0.084854|3.642089|4.898536|2.553510|2.299186|2.187814|1.966453|1.863717|1.924063|2.128782|3.804249|4.202751|3.189064|2.726168|2.651173|0.077802|0.068885|0.116858|0.245069|0.500000| |2.559189|2.305479|2.401816|2.867210|3.411260|3.141881|6.110539|5.885864|9.175437|12.585575|17.568287|8.894998|7.035738|4.595156|5.254430|0.104927|4.080352|5.482762|2.988722|2.575675|2.342128|2.064579|1.982119|2.109007|2.405275|3.984519|2.865857|2.358969|2.088684|2.075278|0.066175|0.056764|0.095439|0.123758|0.237444|0.500000| |2.979302|2.587866|2.624312|3.114747|3.890029|3.756614|6.813862|7.534993|14.035554|12.510920|17.608389|8.842173|6.964817|4.594905|5.771554|0.123421|4.535150|6.760725|3.172533|2.826896|2.540221|2.262629|2.208327|2.378773|2.704043|4.429873|2.949316|2.415341|2.154933|2.209733|0.077674|0.063186|0.120075|0.124755|0.187955|0.302586|0.500000| |2.341733|2.184934|2.332780|2.780546|3.124477|2.786994|5.372965|4.992764|8.149271|9.482530|8.910313|17.490796|8.886426|6.792349|7.735901|0.136446|6.847451|8.904550|4.139337|3.356001|3.075711|2.579389|2.374519|2.483861|2.916214|4.646911|2.917271|2.473835|2.114356|2.068959|0.060002|0.054188|0.080622|0.109351|0.169619|0.216511|0.174347|0.500000| |2.027450|1.860123|1.918118|2.198318|2.491251|2.362903|4.064469|3.680727|6.471890|6.288870|6.856309|8.762738|17.559776|8.992847|7.600625|0.145254|4.905534|5.515218|4.133419|3.243572|2.783790|2.362694|2.268248|2.484644|2.985707|4.441849|2.214946|1.923869|1.716221|1.709407|0.053572|0.046922|0.070652|0.081259|0.117295|0.209339|0.170084|0.214891|0.500000| |2.225961|2.003654|2.029042|2.308612|2.670737|2.606098|4.275583|4.029389|7.715011|6.345196|7.026681|8.813239|17.505705|8.886835|9.313179|0.208894|5.678838|6.787893|4.594510|3.745066|3.098651|2.647449|2.603874|2.937256|3.586378|5.048189|2.254837|1.953590|1.753011|1.783367|0.059378|0.050452|0.079626|0.081939|0.110616|0.176758|0.213019|0.173790|0.303909|0.500000| |1.845182|1.735140|1.810948|2.053318|2.240920|2.098101|3.536724|3.082449|5.499038|4.933079|4.481033|6.715919|8.773820|17.603046|12.443565|0.181995|7.056899|5.753976|7.045109|4.589283|3.854511|3.030015|2.773246|2.993892|3.779332|5.241699|2.117162|1.895850|1.669031|1.649640|0.048573|0.044159|0.060848|0.070940|0.092317|0.119984|0.111558|0.198487|0.214581|0.173224|0.500000| |1.785990|1.657898|1.696250|1.894001|2.091398|2.016841|3.238142|2.834243|5.248063|4.368350|4.076873|5.466020|8.789949|17.622275|12.373942|0.223252|5.616566|4.898175|7.197136|4.802781|3.710911|2.999434|2.891585|3.306028|4.336735|5.443966|1.902122|1.707304|1.531942|1.537722|0.047747|0.042448|0.059503|0.063841|0.081007|0.109853|0.110388|0.139140|0.213362|0.215911|0.301424|0.500000| |2.129159|2.026551|2.151498|2.469600|2.657251|2.426814|4.163820|3.635278|6.565425|5.521690|4.477835|6.781158|5.804425|7.091289|12.445329|0.182462|17.594101|8.762971|6.972956|5.421376|5.138943|3.868617|3.306195|3.355474|4.089250|6.152965|2.580509|2.316027|1.979257|1.957271|0.055126|0.051153|0.068751|0.082220|0.099628|0.108281|0.110770|0.201730|0.130191|0.132805|0.215266|0.144909|0.500000| |2.289051|2.157634|2.247040|2.533814|2.749451|2.583460|4.144634|3.643998|7.097540|5.074013|4.045015|5.481371|4.897381|5.623589|12.374104|0.224246|17.662630|8.798092|7.119649|7.052936|6.723622|5.060352|4.321343|4.370222|5.312711|7.749271|2.550014|2.303973|1.994340|2.025967|0.059787|0.054618|0.073549|0.078870|0.089224|0.094956|0.108368|0.140147|0.107904|0.127261|0.144779|0.126784|0.300896|0.500000| |2.855668|2.556013|2.610111|3.033565|3.574627|3.424228|5.690445|5.772039|12.727618|7.850680|6.903486|8.801310|6.769765|5.678095|9.319585|0.210599|8.856541|17.557277|4.582512|4.219887|3.738228|3.226870|3.093242|3.330355|3.895037|5.963183|2.908276|2.476677|2.164264|2.240036|0.074368|0.063097|0.102823|0.102637|0.124086|0.140988|0.204382|0.173881|0.138486|0.197002|0.132133|0.127539|0.172792|0.214654|0.500000| |2.936341|2.723313|2.916233|3.531085|4.029477|3.547857|6.710089|6.603496|12.168656|9.391062|6.720138|8.798660|5.523698|4.896860|7.605265|0.146292|8.998011|17.617433|4.114882|3.753573|3.600513|3.089328|2.819442|2.876050|3.273301|5.510065|3.579921|2.993697|2.498984|2.518803|0.073906|0.066408|0.100723|0.124473|0.148376|0.139095|0.164097|0.215779|0.123211|0.139008|0.128993|0.107853|0.213292|0.213846|0.306138|0.500000| |1.723160|1.643259|1.708478|1.892591|2.014769|1.906955|3.037614|2.562874|4.726299|3.781507|3.133867|4.180568|4.560244|6.848508|12.390971|0.182236|7.128530|4.638850|17.630486|8.826201|7.171211|4.727550|3.986271|4.180728|5.605203|7.056437|1.944199|1.797916|1.588452|1.582179|0.045636|0.042339|0.054451|0.060143|0.070628|0.080757|0.082478|0.117439|0.109530|0.112326|0.207522|0.171486|0.217204|0.182236|0.113996|0.111848|0.500000| |1.664547|1.566979|1.602649|1.760164|1.900329|1.838402|2.849461|2.423951|4.556782|3.551530|3.044806|3.918333|4.780491|7.451279|12.419519|0.218698|5.591727|4.162014|17.622618|8.880597|5.730656|4.243213|4.009895|4.704798|7.042773|7.092118|1.771766|1.629533|1.463753|1.474206|0.044643|0.040524|0.053336|0.055934|0.066122|0.079501|0.083240|0.103673|0.115373|0.126091|0.186526|0.235222|0.146068|0.143728|0.110215|0.096961|0.302035|0.500000| |1.749996|1.695418|1.765580|1.922960|1.999888|1.896530|2.912431|2.388755|4.466038|3.344236|2.602686|3.228632|3.190365|3.933316|7.170297|0.129065|5.570455|3.908673|6.973087|8.886045|17.707673|8.969572|5.690710|4.945078|5.640508|9.648294|1.973007|1.873637|1.653301|1.657959|0.046320|0.044039|0.053169|0.057170|0.062503|0.065829|0.069717|0.089714|0.077550|0.083152|0.111614|0.100051|0.160723|0.186769|0.100552|0.103416|0.217224|0.145792|0.500000| |1.675250|1.634833|1.676658|1.774196|1.822996|1.766861|2.560205|2.051047|3.898761|2.763484|2.101983|2.442449|2.404687|2.753463|4.709597|0.094128|3.607567|2.923549|4.078913|5.613607|8.857746|17.751663|8.958940|5.637546|4.951436|16.749510|1.785146|1.732430|1.561404|1.592795|0.044904|0.043142|0.049239|0.049799|0.051939|0.053354|0.057881|0.066324|0.059583|0.065496|0.075284|0.072812|0.097198|0.121391|0.080276|0.079705|0.111917|0.097646|0.214425|0.500000| |1.656890|1.558965|1.543985|1.625860|1.736857|1.754835|2.445262|2.012093|3.965201|2.700543|2.157012|2.441721|2.601334|2.933949|4.931810|0.112652|3.238536|2.817447|4.088958|5.610233|4.948769|5.638171|8.952117|17.751761|8.861255|16.752649|1.575741|1.485239|1.372274|1.428993|0.045645|0.041205|0.050720|0.046801|0.050181|0.055119|0.062471|0.062709|0.064191|0.076202|0.074021|0.083374|0.080052|0.100884|0.083948|0.071748|0.096107|0.110930|0.107445|0.124549|0.500000| |1.725483|1.607789|1.608873|1.733731|1.883089|1.877456|2.739422|2.321516|4.553965|3.225935|2.702921|3.217716|3.692346|4.515206|8.012660|0.195812|4.419292|3.651059|7.015765|8.866136|5.637656|4.946237|5.692330|8.982530|17.683660|9.654477|1.696133|1.567481|1.430194|1.472206|0.047045|0.041900|0.054932|0.052627|0.059362|0.069099|0.078041|0.081092|0.088533|0.109162|0.107425|0.134783|0.105622|0.129441|0.107664|0.087245|0.141663|0.207424|0.123739|0.107466|0.214726|0.500000| |3.983068|4.366462|6.037281|8.879961|6.548704|4.544389|8.757733|4.549224|6.634081|5.578575|3.125558|2.798864|2.294137|2.062342|2.833798|0.056592|2.425887|2.832001|1.839108|1.766718|1.779341|1.677036|1.582041|1.569160|1.651943|3.346380|17.456673|8.897046|6.656238|5.345287|0.090654|0.101322|0.106792|0.222296|0.122849|0.081179|0.080636|0.079774|0.061320|0.061193|0.057467|0.051586|0.067726|0.065433|0.075326|0.091192|0.051631|0.047336|0.051293|0.046018|0.041250|0.044814|0.500000| |3.988722|4.250455|5.723670|8.883270|7.000458|4.690645|9.925672|5.485682|8.027911|6.508295|3.566907|3.320658|2.621680|2.375929|3.347060|0.066372|2.992396|3.540561|2.148615|2.072165|2.108570|1.973352|1.836707|1.807313|1.909571|3.850173|17.538684|8.859608|5.536242|4.913316|0.090773|0.097962|0.111191|0.222807|0.133894|0.088569|0.090750|0.094828|0.068262|0.069260|0.066227|0.058362|0.083618|0.081475|0.092422|0.121176|0.060494|0.054277|0.061250|0.054184|0.046969|0.051210|0.303678|0.500000| |3.099508|3.584631|4.854202|5.493448|4.087397|3.240269|5.269064|3.196183|5.050863|4.049373|2.448312|2.345242|1.972975|1.848784|2.591540|0.051294|2.224979|2.453986|1.734627|1.694098|1.751967|1.672202|1.557782|1.513272|1.572032|3.327530|8.863125|17.547160|8.794912|5.524444|0.073494|0.089550|0.078030|0.117697|0.085619|0.063691|0.063524|0.067797|0.052459|0.052338|0.052198|0.046519|0.063295|0.061521|0.064729|0.078819|0.049343|0.044399|0.051134|0.046789|0.039615|0.042048|0.222311|0.209082|0.500000| |3.618719|4.335601|6.108372|6.539721|4.613320|3.688358|5.537652|3.410360|5.602231|4.114405|2.505777|2.428523|2.036918|1.919535|2.758811|0.055112|2.402504|2.651067|1.844577|1.835262|1.915501|1.849647|1.724073|1.661265|1.708913|3.698834|8.848714|17.514727|8.880331|7.058740|0.084450|0.107279|0.086649|0.114713|0.083345|0.063593|0.066188|0.068695|0.053185|0.054612|0.053545|0.048199|0.067156|0.068038|0.071081|0.086534|0.052015|0.046789|0.055563|0.051973|0.043435|0.045348|0.174746|0.220042|0.303121|0.500000| |3.723529|4.671395|6.589044|6.116866|4.340375|3.632044|5.054470|2.961784|4.760710|3.624972|2.217140|2.048181|1.763399|1.629050|2.266671|0.045720|1.891129|2.113174|1.514304|1.487561|1.515282|1.463038|1.393253|1.368992|1.411539|3.006510|6.994677|8.863820|17.511698|8.837209|0.087389|0.119223|0.084788|0.109868|0.076776|0.058299|0.059311|0.057579|0.047239|0.047822|0.045230|0.041601|0.052510|0.052292|0.057593|0.065884|0.042378|0.039293|0.043380|0.040654|0.036354|0.038183|0.199549|0.140924|0.209830|0.173875|0.500000| |3.251962|4.109595|5.494949|4.842230|3.573445|3.096029|4.215873|2.599134|4.303494|3.200925|2.004673|1.906703|1.654889|1.557970|2.198715|0.044263|1.840596|2.009369|1.489559|1.481413|1.530864|1.493354|1.415363|1.373645|1.402894|3.077068|5.508324|8.810376|17.554289|8.851515|0.078269|0.110590|0.073457|0.088885|0.066420|0.052370|0.053746|0.053700|0.044029|0.044831|0.043385|0.039858|0.051301|0.051682|0.054706|0.062739|0.041837|0.038486|0.043972|0.041956|0.036413|0.037625|0.139293|0.123613|0.213794|0.210601|0.303088|0.500000| |4.576718|6.592832|8.928835|6.083908|4.389864|4.000937|4.713428|2.927079|5.054170|3.420475|2.150203|2.040261|1.767660|1.658714|2.386449|0.048773|2.009151|2.217841|1.605319|1.622817|1.676037|1.654274|1.583907|1.536311|1.553724|3.462304|5.405363|6.743195|8.884934|17.503031|0.107219|0.182753|0.091032|0.092717|0.068524|0.054935|0.058996|0.056018|0.046289|0.048636|0.045444|0.042411|0.054682|0.057418|0.061969|0.069586|0.044452|0.041267|0.047494|0.046350|0.040875|0.041559|0.123025|0.125254|0.140253|0.203836|0.174219|0.219930|0.500000| 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