Version2.0 2020-07-29T17:27:58Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 15-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)C[NH+]2[C@H]3CCC[C@@H]2CC(C3)NC(=O)Nc4ccccc4F C04887981 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)C[NH+]2[C@H]3CCC[C@@H]2CC(C3)NC(=O)Nc4ccccc4F C01[X(C23H29F1N3O1)] 165 C1 478 O=C(Nc1ccccc1F)NC1C[C@@H]2CCC[C@H](C1)[NH+]2Cc1ccc(cc1)C O=C(Nc1ccccc1F)NC1C[C@@H]2CCC[C@H](C1)[NH+]2Cc1ccc(cc1)C Cc1ccc(C[NH+]2[C@H]3CCC[C@@H]2CC(C3)NC(=O)Nc4ccccc4F)cc1 InChIKey=DCEPUEYTNTUGLE-IHWFROFDSA-O InChI=1S/C23H28FN3O/c1-16-9-11-17(12-10-16)15-27-19-5-4-6-20(27)14-18(13-19)25-23(28)26-22-8-3-2-7-21(22)24/h2-3,7-12,18-20H,4-6,13-15H2,1H3,(H2,25,26,28)/p+1/t18?,19-,20+ InChI=1/C23H28FN3O/c1-16-9-11-17(12-10-16)15-27-19-5-4-6-20(27)14-18(13-19)25-23(28)26-22-8-3-2-7-21(22)24/h2-3,7-12,18-20H,4-6,13-15H2,1H3,(H2,25,26,28)/p+1/t18?,19-,20+/fC23H29FN3O/h25-27H/q+1 Cc1ccc(cc1)C[NH+]2[C@H]3CCC[C@@H]2CC(C3)NC(=O)Nc4ccccc4F C01[X(C23H29F1N3O1)] 165 C01 478 O=C(Nc1ccccc1F)NC1C[C@@H]2CCC[C@H](C1)[NH+]2Cc1ccc(cc1)C O=C(N[C]1[CH][CH][CH][CH][C]1F)N[C@@H]1C[C@@H]2CCC[C@H](C1)[NH]2C[C]1[CH][CH][C]([CH][CH]1)C C[C]1[CH][CH][C]([CH][CH]1)C[NH]2[C@H]3CCC[C@@H]2CC(C3)NC(=O)N[C]4[CH][CH][CH][CH][C]4F InChIKey=LHYNUYPPNSOUNV-ACDBMABISA-N InChI=1S/C23H29FN3O/c1-16-9-11-17(12-10-16)15-27-19-5-4-6-20(27)14-18(13-19)25-23(28)26-22-8-3-2-7-21(22)24/h2-3,7-12,18-20,27H,4-6,13-15H2,1H3,(H2,25,26,28)/t18-,19+,20- InChI=1/C23H29FN3O/c1-16-9-11-17(12-10-16)15-27-19-5-4-6-20(27)14-18(13-19)25-23(28)26-22-8-3-2-7-21(22)24/h2-3,7-12,18-20,27H,4-6,13-15H2,1H3,(H2,25,26,28)/t18-,19+,20-/f/h25-26H 2551.7228089466 -1225.3514995 1-A 17364.5964 102 376 478 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.38772 -20.61988 -15.82735 -15.69352 -15.69070 -11.48066 -11.43124 -11.43096 -11.42955 -11.40236 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2.4980 2.6685 3.2350 2.2985 1.5709 1.8785 1.8901 2.2756 2.4887 2.1856 1.3697 1.6841 2.9479 1.1719 2.2140 1.8539 1.2052 3.3967 1.9351 2.1271 1.8081 1.2974 1.3073 1.4161 1.2919 1.6192 1.1658 1.8515 1.4049 1.2461 1.2886 1.3025 1.3495 1.4853 1.4803 1.4305 1.4770 1.4375 1.3520 1.3922 1.2792 2.1072 1.4043 1.2630 2.0637 1.0605 1.1001 1.1136 1.1097 1.0912 1.1010 1.3975 1.5526 1.0889 2.4389 1.6569 2.4996 5.4302 4.8992 5.3731 5.1656 7.6594 1.0383 1.0691 1.0661 1.0628 1.0674 1.0687 1.0856 1.0958 1.1011 1.1008 1.0810 1.1021 1.0896 1.0963 1.1038 1.0996 1.0892 1.0907 1.0908 1.0998 1.0946 1.0893 1.0952 1.0938 1.0977 1.0935 1.0775 1.0782 1.0777 0.0004 0.0007 0.0004 0.0029 0.0026 0.0059 0.0083 0.0203 0.0216 0.0449 0.0406 0.0577 0.0497 0.1048 0.1455 0.1398 0.1416 0.2951 0.1406 0.2283 0.2311 0.1938 0.1997 0.1391 0.2413 0.2835 0.2448 0.3596 0.4056 0.6039 0.4890 0.4793 0.5764 0.6223 0.6466 0.6257 0.3111 0.8955 0.8686 0.7251 0.8388 0.9863 1.9243 0.8810 1.2171 1.7665 1.1983 1.3497 2.0096 2.8689 0.5600 1.1629 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6.7886 5.9603 11.4487 11.2909 4.6854 6.8719 51.1653 104.6526 5.1746 0.4035 24.4861 7.0562 2.0349 0.4792 0.7519 7.7862 0.0242 4.6484 2.7190 7.6588 12.0559 108.7182 2.0212 18.2670 17.6545 11.1683 17.8008 3.6993 13.9841 1.7211 23.4637 14.3801 0.0185 7.3317 0.9831 2.7409 6.9384 0.4691 34.6009 19.5563 16.5154 0.2588 4.0561 0.6731 4.6283 15.1508 0.5379 3.0756 3.0185 8.0465 20.6394 4.9229 3.5837 14.2940 15.4852 11.6352 20.1621 45.0226 1.4403 2.2862 9.6004 13.6517 19.6784 79.8198 1.3065 160.5414 13.8799 28.1439 21.2636 13.8370 61.8924 8.9558 112.1235 62.5551 20.1060 2.6336 86.6318 0.9375 34.9105 14.0390 32.5271 9.5038 1.1673 12.9747 38.6772 12.6492 9.8034 32.5455 142.1810 47.8453 9.1490 12.6468 8.1498 5.0228 7.8142 8.0299 42.1576 42.9427 14.1236 12.0970 145.0524 936.8803 0.7926 53.5304 25.8085 155.7468 241.6276 19.9731 12.8045 1.6070 23.1931 12.3328 15.6114 17.4563 19.8760 15.8248 10.5321 0.5154 31.3474 23.8273 16.7511 15.7217 12.7113 9.7146 14.2928 10.7121 3.7611 10.5907 3.4923 8.5020 12.6686 5.8947 1.6271 31.2928 18.0037 69.7371 5.1346 3.2741 0.5343 1.6128 4.0429 1.4321 3.2333 0.4685 2.2583 0.3978 0.5673 0.1714 0.5587 1.6850 2.7795 1.0170 1.8931 0.7274 0.4396 1.5684 3.4858 1.6605 0.8800 1.1815 0.3636 0.4043 1.3743 0.0591 2.2562 2.1497 1.7165 0.5865 1.6626 1.2743 0.9820 1.9386 3.2341 3.0476 0.0597 1.5203 2.0140 4.6482 5.9343 2.0669 13.7251 0.8286 5.9929 1.2569 8.2856 1.6043 0.4080 1.5539 12.0614 33.0510 1.4388 2.7977 1.6312 3.4903 1.6236 2.0502 1.4781 2.7961 3.5991 4.4862 4.1060 0.6912 2.5379 3.2366 6.6597 6.8688 0.1463 2.8306 0.4968 6.4828 4.5443 27.1992 3.4354 0.8924 0.1122 1.1684 0.4336 9.6503 12.0393 3.6357 3.6422 3.5735 11.7959 0.4727 6.5853 2.7116 8.1941 14.7076 1.6636 3.3209 4.1051 1.8172 5.9702 4.8343 16.6482 12.1303 13.1658 30.1330 5.6171 7.0545 3.4628 8.3305 0.1744 3.5282 2.3806 3.0261 1.4018 0.8424 8.2219 2.7768 14.2655 2.1217 2.5141 7.0151 2.6966 19.5688 16.4801 20.9723 15.5318 7.9710 3.0900 9.2268 18.1485 2.9349 1.6745 4.1666 5.5125 5.6996 32.5316 77.5467 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0.3353 0.3202 0.5771 0.8111 0.2492 0.5577 0.2860 0.2832 0.4247 0.6467 0.2804 0.4338 0.8284 0.8476 0.6358 0.6412 0.8571 0.3904 0.4199 0.5141 0.6954 0.8562 0.6489 0.8566 0.8462 0.7866 0.8419 0.8566 0.8229 0.6654 0.6491 0.7367 0.8142 0.8116 0.8220 0.8509 0.8448 0.8571 0.8415 0.8569 0.4455 0.5332 0.6107 0.8335 0.6565 0.7322 0.6311 0.8560 0.7028 0.6727 0.6645 0.4208 0.1048 0.4506 0.5752 0.5934 0.2017 0.1551 0.7975 0.3655 0.8571 0.7215 0.8256 0.8332 0.2923 0.6212 0.8569 0.4606 0.3282 0.5712 0.7077 0.7060 0.4436 0.7878 0.2945 0.6959 0.2573 0.3493 0.2551 0.3387 0.2141 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 6 6 6 6 6 6 6 6 7 1 6 1 6 6 6 6 1 6 6 6 7 6 8 7 6 6 6 6 6 6 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 6150.6178 26705.1446 30207.5576 0.99998 -0.00046 0.00623 0.00049 0.99999 -0.00459 -0.00623 0.00459 0.99997 1 0.01408 0.00324 0.00287 0.29342 0.06758 0.05974 15.35 21.55 35.67 46.48 51.58 67.20 86.74 99.66 120.50 168.97 198.87 238.24 254.25 273.26 317.01 341.76 354.84 439.08 461.37 469.77 476.88 482.96 503.87 571.65 595.91 613.60 620.13 656.50 677.84 692.10 711.32 722.31 740.00 755.95 792.56 830.42 849.13 870.51 880.14 903.06 924.00 992.54 1010.58 1097.55 1116.77 1131.51 1133.05 1182.24 1207.02 1219.33 1237.29 1244.62 1285.26 1297.52 1300.65 1336.27 1339.95 1347.34 1374.43 1376.85 1408.49 1416.96 1455.49 1501.37 1520.98 1550.00 1551.87 1562.31 1570.39 1589.56 1592.79 1603.45 1610.91 1623.26 1633.00 1637.94 1657.05 1686.47 1692.57 1723.57 1737.72 1742.42 1759.68 1785.63 1800.08 1806.86 1823.95 1864.54 1878.91 1883.02 1888.28 1901.29 1920.10 1924.68 1929.25 1950.32 1984.55 2015.81 2032.18 2039.15 2067.57 2087.25 2097.52 2116.09 2122.95 2137.41 2159.56 2171.03 2188.82 2192.54 2212.83 2224.61 2240.74 2255.42 2258.17 2268.61 2299.24 2332.26 2343.39 2345.89 2353.64 2355.19 2360.24 2371.91 2375.46 2389.39 2390.96 2400.49 2435.81 2447.91 2501.29 2547.44 2602.24 2614.60 2626.71 2793.41 4625.05 4649.57 4652.44 4657.13 4660.90 4672.06 4700.47 4708.98 4711.78 4712.07 4717.04 4726.65 4732.80 4734.85 4745.60 4760.34 4778.90 4798.64 4826.09 4858.25 4860.58 4861.07 4867.84 4884.03 4903.41 4982.05 5357.26 5530.80 5585.63 0.531029 0.554596 0.555540 0.473028 -1224.820470 -1224.796904 -1224.795960 -1224.878471 2.767433D-04 MUNgauss RevisionA2.0 retrievium 29-Jul-2020 DUDE Cc1ccc(cc1)C[NH+]2[C@H]3CCC[C@@H]2CC(C3)NC(=O)Nc4ccccc4F C04887981 RHF 6-31G(d) (6D,10F) C1 382.229466 |X|Y|Z| 53.518321 29.711008 116.694286 57.036975 25 6 7 22 3 |36.858105| |12.618672|36.858105| |7.538157|13.718513|36.858105| |5.006788|7.886566|13.745169|36.858105| |4.412948|6.785819|7.910595|13.733784|36.858105| |5.017605|7.889570|6.902438|7.966536|13.675006|36.858105| |7.553501|13.665366|7.980725|6.898680|7.906992|13.799516|36.858105| |3.271691|4.416666|5.019031|7.555590|12.649986|7.581318|5.031401|36.858105| |2.915923|3.760641|4.104853|5.506724|7.628486|5.953990|4.285772|12.565398|53.358707| |3.099594|4.018023|4.154795|5.275155|7.612189|6.911515|4.832791|9.497849|25.772961|0.500000| |2.389166|2.931168|3.121242|3.912310|4.957644|4.301441|3.311456|7.474650|17.089721|0.258539|36.858105| |2.373594|2.904248|3.020967|3.726620|4.860674|4.435148|3.365575|7.217317|12.457430|0.224708|17.625676|0.500000| |2.165154|2.610108|2.865860|3.595855|4.198626|3.505569|2.821867|6.162107|10.448460|0.158701|12.450377|0.246125|36.858105| |2.132186|2.544255|2.859598|3.557801|3.871029|3.183575|2.656665|5.152008|8.812872|0.137874|7.489563|0.152567|12.434686|36.858105| |2.484019|3.032303|3.542438|4.582906|4.782137|3.711582|3.094521|6.098561|10.414943|0.158628|6.485283|0.135948|7.525704|12.433606|36.858105| |2.839062|3.572023|4.058769|5.298531|6.033022|4.717449|3.784462|7.429988|17.077341|0.259293|7.661612|0.156155|6.479008|7.462615|12.439087|36.858105| |3.291855|4.257494|5.028623|6.690401|7.029699|5.294464|4.355679|7.167391|12.458415|0.225108|5.624787|0.127603|4.904372|5.487389|8.859747|17.660694|0.500000| |2.530328|3.041276|3.268239|3.877608|4.340647|3.850826|3.256334|4.912696|10.395445|0.206074|6.446579|0.135634|5.245814|6.028026|7.378690|12.274404|0.244044|36.858105| |2.370976|2.819517|2.900694|3.371425|3.980942|3.784090|3.154608|4.601063|9.804613|0.220962|7.389395|0.161050|5.187890|5.085801|5.211171|7.399933|0.160894|12.431494|36.858105| |2.188873|2.606646|2.706466|3.213450|3.873481|3.603847|2.930282|4.925754|10.406128|0.205214|12.294009|0.243927|7.376139|6.083527|5.291735|6.472318|0.135832|7.526800|12.387907|36.858105| |2.095002|2.406337|2.442683|2.730975|3.091623|3.020710|2.645907|3.413422|6.348289|0.139869|4.936723|0.117346|3.958795|4.021901|3.993717|4.973935|0.118183|7.816294|13.217744|7.673011|53.358707| |1.989784|2.249109|2.227005|2.437349|2.773365|2.818267|2.508185|2.997208|5.254046|0.119199|4.128604|0.105704|3.319383|3.220670|3.163798|3.829865|0.095143|5.158430|7.843270|5.975240|18.764888|36.858105| |2.087421|2.369360|2.302264|2.512123|2.927127|3.072550|2.712159|3.141677|5.417296|0.127986|4.236233|0.113925|3.277095|3.045123|3.007895|3.695562|0.093127|4.616548|7.037749|5.840104|11.516005|15.842034|73.516695| |1.773777|1.964763|1.948064|2.099930|2.328774|2.358075|2.150278|2.485131|4.172687|0.091785|3.269655|0.084642|2.795299|2.776236|2.706145|3.120633|0.079091|4.055575|5.263665|4.403215|11.334668|14.063075|14.889907|53.358707| |1.637736|1.786749|1.751908|1.862200|2.053722|2.110977|1.955283|2.163150|3.500511|0.076962|2.731131|0.072885|2.374253|2.326508|2.266130|2.565672|0.066304|3.145211|3.890417|3.468883|7.099580|7.672446|11.596943|18.386014|36.858105| |1.637893|1.780214|1.722664|1.820958|2.026392|2.122863|1.972318|2.121079|3.369295|0.074942|2.627282|0.072116|2.259446|2.160256|2.106534|2.393525|0.062363|2.828733|3.516682|3.243200|5.876430|6.231496|11.569172|10.403058|13.730057|36.858105| |1.493382|1.601508|1.545506|1.617698|1.780213|1.868004|1.759866|1.847650|2.863320|0.062999|2.218393|0.061415|1.951830|1.872073|1.826617|2.038663|0.053697|2.347778|2.799406|2.637664|4.486679|4.293473|7.914460|6.946118|7.940042|13.724379|36.858105| |1.380908|1.470758|1.428976|1.490645|1.618912|1.680685|1.594331|1.677184|2.584876|0.056148|1.995102|0.054685|1.792342|1.746756|1.704086|1.873912|0.049519|2.157926|2.498935|2.350818|4.028982|3.665755|6.387904|6.178860|6.825306|7.890672|13.777534|36.858105| |1.379993|1.473470|1.444577|1.511947|1.631511|1.673509|1.584189|1.696413|2.640395|0.056930|2.037619|0.054970|1.846552|1.829743|1.783894|1.951448|0.051382|2.286755|2.620123|2.430161|4.359618|3.897382|6.384360|7.076406|7.856604|6.836288|7.960733|13.739081|36.858105| |1.491610|1.609036|1.585732|1.673457|1.814554|1.849753|1.734190|1.900415|3.020828|0.065291|2.340589|0.062263|2.099688|2.094403|2.040175|2.254422|0.058782|2.722037|3.179526|2.879160|5.600393|5.188337|7.920330|10.924765|13.735191|8.013206|6.994347|8.037617|13.897019|36.858105| |1.468822|1.585045|1.579423|1.670610|1.791621|1.799619|1.688070|1.880837|3.001797|0.064004|2.316720|0.060582|2.117033|2.163680|2.109109|2.299689|0.059857|2.814801|3.177838|2.846489|5.688378|4.807570|6.982102|9.882905|8.175296|5.308079|4.686453|5.293191|8.126683|14.201315|97.533100| |17.547656|8.875475|6.080030|4.380432|3.972152|4.534635|6.492686|3.036596|3.628335|0.078079|2.233740|0.062504|2.041169|1.987156|2.271208|2.547089|0.080071|2.273234|2.163040|2.036288|2.615139|1.841212|3.450349|2.245566|1.536027|1.546737|1.419985|1.313124|1.305812|1.402438|3.096438|0.500000| |17.573773|8.849560|5.725906|4.231761|3.953293|4.663915|6.944567|3.024865|3.803730|0.084127|2.313741|0.063878|2.071489|2.039014|2.354184|2.727633|0.087034|2.505892|2.380336|2.165969|2.900202|2.047556|3.837357|2.490435|1.698688|1.706051|1.557769|1.437627|1.432371|1.545262|3.408573|0.302196|0.500000| |17.594635|8.840760|7.185930|4.727530|3.948653|4.176898|5.588419|3.019909|3.705270|0.078931|2.245117|0.061214|2.071984|2.078338|2.440276|2.734352|0.088677|2.441044|2.244637|2.066961|2.723060|1.884994|3.468077|2.308219|1.563627|1.551055|1.418376|1.321908|1.328902|1.435966|3.206157|0.301936|0.301528|0.500000| |6.979788|8.917748|17.721539|8.948637|5.644200|4.967711|5.659871|4.097700|4.732986|0.096045|2.744858|0.073307|2.594872|2.648695|3.268770|3.578249|0.121392|2.946803|2.588076|2.418719|3.031343|2.030215|3.687849|2.454006|1.628807|1.594282|1.440667|1.343121|1.362716|1.490038|3.360172|0.159927|0.146180|0.218692|0.500000| |4.091586|5.632883|8.945058|17.695047|8.894158|5.647286|4.963810|6.969172|7.130903|0.130814|3.856800|0.099709|3.766203|3.876597|5.177530|5.412789|0.186287|3.843632|3.240536|3.141261|3.599895|2.328963|4.195557|2.758867|1.791794|1.736651|1.546739|1.435861|1.465546|1.623338|3.679121|0.101973|0.097776|0.112686|0.217211|0.500000| |4.100714|5.632020|4.963975|5.645513|8.862182|17.668113|8.966977|7.005687|8.134155|0.204843|4.606240|0.139251|3.586097|3.134013|3.490114|4.430113|0.129175|3.790116|3.982453|3.891260|4.314381|3.030584|6.064249|3.403309|2.249501|2.296740|2.009362|1.784679|1.760877|1.945615|4.206658|0.106563|0.110528|0.096240|0.107719|0.123789|0.500000| |7.010632|8.899608|5.661619|4.965282|5.638933|8.961533|17.715593|4.107561|5.002018|0.116592|2.982614|0.085440|2.536082|2.374848|2.693201|3.253197|0.100796|2.929483|2.927626|2.718738|3.428511|2.449724|4.777694|2.878748|1.951887|1.995929|1.792908|1.616511|1.591777|1.729437|3.752528|0.178751|0.203504|0.141271|0.124211|0.107707|0.217623|0.500000| |3.031386|3.964687|4.244784|5.734410|8.874531|7.016746|4.695545|17.618630|12.440581|0.221310|7.372373|0.237997|5.934738|4.539027|4.814852|5.546567|0.144291|4.161863|4.220857|4.799656|4.374291|2.916670|5.563178|3.298115|2.139025|2.130676|1.863168|1.679576|1.682350|1.871620|4.122540|0.080220|0.078566|0.076767|0.097999|0.145911|0.206270|0.111292|0.500000| |3.018973|3.948745|4.729224|7.183017|8.850613|5.609736|4.188259|17.709518|12.241359|0.183408|6.556496|0.168628|6.603385|5.776168|6.958279|6.954144|0.184561|4.517763|4.045209|4.405880|4.229178|2.705323|4.927045|3.122443|2.002966|1.947774|1.711720|1.570799|1.598117|1.784555|4.014175|0.078487|0.076613|0.079450|0.112612|0.217439|0.141655|0.096502|0.302812|0.500000| |1.942802|2.294346|2.473809|2.998415|3.446610|3.010609|2.482412|4.697226|7.605232|0.127766|8.961702|0.212695|17.573645|8.797090|5.491097|4.881749|0.108013|4.404605|4.632555|6.872109|5.137409|3.253883|5.691911|3.799485|2.393976|2.281866|1.979269|1.821019|1.875007|2.125480|4.812663|0.051297|0.052004|0.051688|0.062895|0.086381|0.087044|0.063197|0.132841|0.136174|0.500000| |2.223556|2.697548|3.001225|3.833684|4.459024|3.621357|2.898114|6.818918|9.386886|0.144253|8.838049|0.219170|17.553391|8.814924|6.632283|5.606013|0.127344|4.321564|4.191255|5.430722|4.483351|2.853695|5.102710|3.320690|2.118032|2.043345|1.789809|1.646500|1.683550|1.888732|4.264569|0.058765|0.058336|0.059054|0.075452|0.113401|0.101662|0.071721|0.189358|0.225269|0.305165|0.500000| |1.992488|2.339294|2.577529|3.101192|3.363649|2.881947|2.449765|4.234968|7.506222|0.126306|6.612276|0.136798|8.824497|17.567714|8.822495|6.569696|0.136151|6.476600|5.563613|6.572872|6.278105|3.568115|5.788327|4.224561|2.549304|2.319254|1.994491|1.870710|1.983682|2.300283|5.420775|0.051497|0.053586|0.054033|0.066720|0.091749|0.079789|0.061765|0.106322|0.124278|0.217482|0.173774|0.500000| |1.988080|2.338942|2.646131|3.241611|3.405342|2.817790|2.402119|4.363574|6.687406|0.109669|5.489703|0.123879|8.848857|17.585755|8.851516|5.481039|0.123955|4.572685|3.954037|4.601176|4.512871|2.747846|4.637009|3.316031|2.083642|1.942993|1.708869|1.608653|1.684556|1.905965|4.446912|0.051892|0.052528|0.054281|0.069369|0.100327|0.076523|0.059918|0.109523|0.141547|0.208138|0.218269|0.305546|0.500000| |2.370340|2.823444|3.294708|4.052849|4.012387|3.238966|2.814072|4.650331|7.596828|0.127959|4.897739|0.108045|5.492614|8.795832|17.571696|8.969806|0.212022|6.925025|4.676791|4.458750|5.223894|3.023043|4.997748|3.608915|2.218786|2.036056|1.774841|1.674472|1.770410|2.027364|4.789956|0.059914|0.062750|0.065732|0.086959|0.127792|0.084132|0.068774|0.105985|0.142842|0.123373|0.136555|0.217862|0.207705|0.500000| |2.613426|3.226100|3.920999|5.299617|5.240137|3.857316|3.220102|6.666571|9.287473|0.143343|5.570081|0.126118|6.612579|8.826753|17.566118|8.828812|0.219930|5.433425|4.193438|4.329990|4.506499|2.738748|4.731412|3.227453|2.030495|1.914878|1.680650|1.569240|1.629783|1.839373|4.248536|0.066724|0.067476|0.071690|0.101233|0.180826|0.098103|0.076621|0.141988|0.244051|0.136459|0.188711|0.174012|0.219335|0.305817|0.500000| |2.252913|2.647006|2.869957|3.358292|3.620431|3.202210|2.773884|4.131371|7.952909|0.149841|5.583784|0.118945|5.143951|6.609293|7.477472|8.816172|0.184978|17.565768|8.858652|6.653150|9.865105|4.757680|7.251768|5.416335|3.075536|2.706364|2.268015|2.120603|2.282650|2.728520|6.525163|0.056759|0.061784|0.061153|0.073712|0.095465|0.087496|0.070005|0.099602|0.111379|0.124133|0.115680|0.223039|0.140343|0.218784|0.146982|0.500000| |2.674355|3.175297|3.369639|3.838682|4.147850|3.802427|3.349508|4.304009|8.133577|0.174428|4.868802|0.110751|4.079609|4.603521|5.762109|8.775178|0.232011|17.598872|8.880381|5.510330|9.604265|4.961794|7.887305|5.461758|3.142527|2.815326|2.348206|2.169716|2.307127|2.743402|6.411336|0.065723|0.074571|0.072108|0.084973|0.103841|0.101977|0.084177|0.101768|0.109455|0.097985|0.098430|0.134732|0.103945|0.162279|0.128467|0.304499|0.500000| |2.597648|3.116777|3.110089|3.563940|4.350779|4.379218|3.612438|4.785722|9.798434|0.264392|6.595331|0.158844|4.497079|4.220800|4.497972|6.572941|0.157690|8.863267|17.614519|8.878578|12.923317|7.642417|14.471239|6.812801|3.870914|3.651864|2.894778|2.532784|2.599729|3.108244|6.786150|0.065508|0.073295|0.067204|0.075670|0.091776|0.131943|0.094103|0.123697|0.111376|0.111428|0.106750|0.121231|0.094555|0.111773|0.106421|0.174547|0.219396|0.500000| |2.092360|2.460916|2.496183|2.897071|3.509337|3.420602|2.810288|4.309039|8.125185|0.173288|8.787376|0.231986|5.769736|4.640187|4.103692|4.878590|0.110724|5.519302|8.891410|17.614241|9.417120|6.422609|12.272597|6.332123|3.764850|3.640575|2.917740|2.540353|2.578799|3.040223|6.554251|0.054570|0.057971|0.054471|0.061965|0.077507|0.106211|0.074064|0.123366|0.105802|0.161897|0.128311|0.136604|0.104568|0.098914|0.098413|0.137617|0.124449|0.220536|0.500000| |1.983199|2.323436|2.439047|2.867353|3.315461|3.045137|2.547887|4.145063|7.974219|0.149690|8.801753|0.184029|7.445842|6.711658|5.221530|5.628269|0.119591|6.676451|8.862063|17.575520|9.702112|5.445329|8.792907|5.906340|3.407202|3.101665|2.553598|2.321239|2.438907|2.901821|6.608494|0.051457|0.054383|0.052634|0.061691|0.079778|0.089288|0.065869|0.111567|0.109137|0.214496|0.146304|0.229679|0.141826|0.126613|0.116553|0.191479|0.137705|0.174890|0.303954|0.500000| |1.941317|2.209437|2.272450|2.537484|2.805883|2.690546|2.382589|3.115464|5.637475|0.118161|4.475432|0.105441|3.863212|4.114212|3.973483|4.616742|0.109299|7.112429|9.097431|6.633794|26.014340|9.304163|10.926138|10.580773|4.947582|3.944763|3.103752|2.878634|3.202691|4.151682|10.069741|0.049622|0.054546|0.052032|0.058346|0.069543|0.077269|0.062800|0.081211|0.081094|0.104277|0.088700|0.137735|0.095404|0.109514|0.090514|0.216284|0.176478|0.182503|0.161792|0.197953|0.500000| |1.721720|1.900409|1.904057|2.051220|2.239618|2.233793|2.048849|2.387653|3.998155|0.086230|3.106557|0.079029|2.734740|2.801390|2.736764|3.097248|0.078580|4.092325|4.959326|4.113939|10.791616|9.434020|10.836928|26.071617|9.385182|5.733240|4.302553|4.110638|4.986704|7.776767|19.877641|0.044377|0.049171|0.046118|0.049357|0.055552|0.064774|0.055572|0.063918|0.062065|0.075744|0.066160|0.088457|0.068697|0.076010|0.066152|0.116325|0.113683|0.125462|0.115125|0.117003|0.241405|0.500000| |1.752234|1.919794|1.844576|1.957441|2.212128|2.347228|2.160483|2.319920|3.698792|0.083650|2.891122|0.080560|2.424101|2.272833|2.220051|2.562007|0.066603|3.000156|3.848585|3.577262|6.191180|6.768937|14.841924|9.407872|8.937398|17.825706|8.906342|5.634236|4.941304|5.684013|9.617952|0.045995|0.050738|0.045710|0.047001|0.051428|0.071717|0.061012|0.065328|0.058417|0.067713|0.060949|0.067093|0.056345|0.058820|0.056168|0.077989|0.082269|0.114884|0.115100|0.092120|0.110632|0.142258|0.500000| |1.476494|1.577032|1.511554|1.575694|1.738114|1.840663|1.741098|1.795814|2.744771|0.060529|2.121086|0.059539|1.865142|1.770914|1.730210|1.928785|0.051061|2.178517|2.582700|2.470597|3.994820|3.724597|7.165183|5.624294|5.659445|8.960812|17.730706|8.931949|5.656331|5.015776|8.340235|0.039216|0.042851|0.038799|0.039092|0.041690|0.055333|0.049672|0.050722|0.046113|0.052536|0.047951|0.051856|0.045073|0.046452|0.044599|0.058037|0.060409|0.075167|0.076419|0.065839|0.076185|0.098234|0.216083|0.500000| |1.297463|1.372362|1.331416|1.381982|1.493237|1.551896|1.481768|1.540443|2.344074|0.050700|1.802752|0.049668|1.634725|1.592745|1.555381|1.696866|0.045085|1.924855|2.194007|2.085109|3.453548|3.043817|5.369728|4.920201|4.928849|5.624204|8.906420|17.738742|8.921666|5.692884|9.580966|0.034420|0.037525|0.034550|0.034888|0.037015|0.045663|0.041865|0.042958|0.040233|0.046177|0.042048|0.047092|0.041048|0.042501|0.040076|0.052617|0.053797|0.061869|0.062295|0.057266|0.068836|0.093089|0.123977|0.214689|0.500000| 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