Version2.2 2021-02-10T17:51:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 05-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[NH+]1Cc2cccc(c2C1)N[C@@H](C)C(=O)NC(=O)Nc3ccc(cc3C)C C66967889 RHF 6-31G(d) (6D,7F) CCC[NH+]1Cc2cccc(c2C1)N[C@@H](C)C(=O)NC(=O)Nc3ccc(cc3C)C C01[X(C23H31N4O2)] 174 C1 497 CCC[NH+]1Cc2c(C1)c(ccc2)N[C@H](C(=O)NC(=O)Nc1ccc(cc1C)C)C CCC[NH+]1Cc2c(C1)c(ccc2)N[C@H](C(=O)NC(=O)Nc1ccc(cc1C)C)C CCC[NH+]1Cc2cccc(N[C@@H](C)C(=O)NC(=O)Nc3ccc(C)cc3C)c2C1 InChIKey=VKUDNBBICZXACQ-KRWDZBQOSA-O InChI=1S/C23H30N4O2/c1-5-11-27-13-18-7-6-8-21(19(18)14-27)24-17(4)22(28)26-23(29)25-20-10-9-15(2)12-16(20)3/h6-10,12,17,24H,5,11,13-14H2,1-4H3,(H2,25,26,28,29)/p+1/t17-/m0/s1 InChI=1/C23H30N4O2/c1-5-11-27-13-18-7-6-8-21(19(18)14-27)24-17(4)22(28)26-23(29)25-20-10-9-15(2)12-16(20)3/h6-10,12,17,24H,5,11,13-14H2,1-4H3,(H2,25,26,28,29)/p+1/t17-/m0/s1/fC23H31N4O2/h25-27H/q+1 CCC[NH+]1Cc2cccc(c2C1)N[C@@H](C)C(=O)NC(=O)Nc3ccc(cc3C)C C01[X(C23H31N4O2)] 174 C01 497 CCC[NH+]1Cc2c(C1)c(ccc2)N[C@H](C(=O)NC(=O)Nc1ccc(cc1C)C)C CCC[NH]1C[C]2[C]([C]([CH][CH][CH]2)N[C@H](C(=O)N[C]([NH][C]2[CH][CH][C]([CH][C]2C)C)=O)C)C1 CCC[NH]1C[C]2[CH][CH][CH][C](N[C@@H](C)C(=O)NC(=O)N[C]3[CH][CH][C](C)[CH][C]3C)[C]2C1 InChIKey=FKANYSBADGJSSG-KRWDZBQOSA-N InChI=1S/C23H31N4O2/c1-5-11-27-13-18-7-6-8-21(19(18)14-27)24-17(4)22(28)26-23(29)25-20-10-9-15(2)12-16(20)3/h6-10,12,17,24,27H,5,11,13-14H2,1-4H3,(H2,25,26,28,29)/t17-/m0/s1 InChI=1/C23H31N4O2/c1-5-11-27-13-18-7-6-8-21(19(18)14-27)24-17(4)22(28)26-23(29)25-20-10-9-15(2)12-16(20)3/h6-10,12,17,24,27H,5,11,13-14H2,1-4H3,(H2,25,26,28,29)/t17-/m0/s1/f/h25-26H 2884.8211526682 -1256.4176564 1-A 12568.1615 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| -20.65791 -20.65441 -15.80715 -15.72338 -15.70633 -15.67651 -11.51339 -11.47405 -11.42037 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0.0477 0.1433 0.1485 0.1436 0.1856 0.2765 0.2247 0.2998 0.3274 0.4379 0.3511 0.5889 0.2956 0.2303 0.4138 0.2160 0.4927 0.3111 0.5525 0.7488 0.8398 0.8849 0.9267 0.8448 1.2075 1.3020 1.1135 0.9119 1.3583 1.6409 1.6704 1.1564 0.4533 1.9278 1.3067 1.3922 1.0534 1.2193 0.8655 1.3357 1.1607 0.8124 1.1077 1.0855 0.7724 2.2186 1.0231 1.9495 1.6900 1.0201 1.4265 1.0542 1.2876 2.1914 1.9863 1.4815 1.4621 1.4288 2.2007 1.9183 1.2465 1.8171 1.2813 1.9576 1.9551 2.0147 1.9695 1.9175 2.1876 2.0346 1.6729 1.8677 1.2690 2.3881 2.3429 1.9876 3.5977 1.4385 2.0297 2.4053 2.9141 1.7244 1.5202 1.5934 1.5905 1.5571 1.8227 2.0863 2.0207 2.5316 1.8212 1.7825 1.9350 1.9122 2.4051 2.7733 1.8630 1.6754 1.7152 1.6577 1.6780 1.6802 1.7410 1.7016 1.7598 1.8830 1.6757 3.9826 2.0271 1.8319 2.3930 2.5623 1.9554 3.6870 4.0677 11.4256 12.2268 11.6928 11.3279 14.8798 25.1952 6.3058 6.3195 6.3151 6.4667 6.3550 6.6408 6.8293 6.6923 6.7911 6.6496 6.9338 6.9341 7.0061 7.0402 7.0527 7.0613 7.0682 7.1573 7.2019 7.2379 7.2602 7.2667 7.3162 7.4002 7.3925 7.3874 7.4774 7.9850 9.0904 9.4024 9.4871 0.0726 0.2521 0.6855 0.5015 2.3999 0.3582 4.3255 0.7615 3.0643 1.3190 3.0220 1.5844 11.4483 0.3443 6.4763 3.3949 1.5043 7.2923 3.2654 5.3268 5.3411 0.5633 1.5036 2.6937 5.0084 0.7025 4.9616 4.6446 7.4402 8.7487 15.6503 6.5882 17.7445 7.2972 10.8996 16.9055 10.1119 90.5529 4.0707 74.9881 6.2361 12.3688 1.7497 9.5939 7.2642 11.8188 4.5331 13.6289 4.3009 53.2670 2.9018 2.8317 1.3695 10.3528 1.4997 3.0213 9.3562 178.3480 2.6559 4.5837 44.9316 7.7248 7.5276 1.8585 0.7750 6.7705 3.0176 1.6440 2.7252 5.9755 2.2357 2.7367 15.7849 2.0584 0.3447 1.2754 8.2678 1.8033 2.0358 14.2523 22.4720 5.7035 0.4909 29.4979 7.4615 12.7252 6.8649 26.2454 7.0751 10.9269 164.0023 62.5839 1.0442 131.6159 46.8430 8.1733 10.2481 1.6162 56.1728 0.1899 2.0613 96.8478 36.9115 0.0784 2.6767 1.9926 0.9050 4.6235 8.0863 5.2955 5.2982 0.2360 4.3904 1.1459 0.1259 2.2522 0.9828 9.1632 88.5144 12.5793 15.1662 0.6418 1.9664 2.3179 6.3534 4.6936 3.2233 19.6741 11.4102 39.5531 108.7701 10.3698 25.7760 60.0471 75.2626 102.5034 746.1326 2.3132 42.3574 12.0325 17.6632 378.0241 340.5416 30.2182 21.5199 27.7216 11.3635 18.6339 13.4594 1.9649 9.0472 13.7074 22.9199 15.4426 25.1366 32.1137 19.3144 22.2177 20.5813 20.1236 12.2601 21.5044 4.3257 16.0504 9.7396 0.7219 2.8623 14.6381 6.5123 7.3584 490.9280 10.9853 49.9027 64.2034 1.3178 4.0834 1.4474 0.3131 0.6249 1.7714 1.7599 1.0918 2.0192 1.5330 0.9997 1.5144 1.0325 0.1327 1.5205 1.2894 1.0208 1.3354 1.7160 1.5964 1.5052 0.2434 0.1843 1.3369 3.7383 0.8894 1.1366 1.7631 1.6815 1.5403 2.4262 2.4673 2.5385 2.3188 0.5018 0.7142 0.1651 0.9738 2.0920 2.4418 0.1658 2.9481 3.6431 5.3024 2.2978 2.1930 3.8449 1.2600 0.8926 9.0689 9.0666 3.3473 8.3998 0.9597 0.3097 1.6708 1.1254 3.6374 1.2266 1.6337 2.2900 5.7920 2.6387 3.7697 10.0866 3.0679 3.2027 5.7977 1.5258 10.5620 2.3943 0.8991 0.6006 2.7043 0.7671 5.5030 3.7424 3.0099 2.3846 0.8860 19.7250 8.1920 1.1121 4.8207 0.2808 3.2707 2.8397 2.5803 0.7879 10.1508 4.0817 2.1895 3.8405 1.9475 1.0552 0.8742 2.6692 0.5229 6.0194 4.7872 7.9711 5.5267 9.2391 1.7079 11.0622 0.7970 6.4772 7.7175 4.5410 5.7094 5.0276 5.3677 0.9604 9.7562 1.9616 1.4787 11.2475 6.3176 2.1223 13.5162 13.5480 26.5423 23.3224 9.4758 11.3252 4.6730 20.0514 14.4273 8.6126 0.4610 4.0328 2.4191 4.1327 3.0533 2.4010 2.6545 12.8219 10.6348 22.2574 7.6852 32.7030 8.3040 12.8022 142.8466 137.5031 83.3765 81.5713 112.7821 66.3810 133.5250 43.7082 41.0908 121.1206 106.7178 52.0488 17.4863 60.9507 60.2111 80.3830 54.0917 76.2664 28.9925 47.0889 71.4208 53.7695 52.3174 29.2013 120.1026 65.4603 197.3907 76.9668 37.3077 60.8677 38.4216 0.7262 0.7485 0.7349 0.7407 0.7383 0.7036 0.6974 0.7484 0.7222 0.7453 0.7487 0.7450 0.7399 0.4009 0.7048 0.7181 0.6431 0.2783 0.7385 0.7086 0.7373 0.4253 0.7441 0.3893 0.2686 0.6640 0.2916 0.5574 0.3037 0.6757 0.4751 0.7062 0.1671 0.3621 0.1402 0.1306 0.6844 0.6353 0.3227 0.6493 0.1734 0.4722 0.7241 0.2799 0.3958 0.3882 0.7483 0.5056 0.7472 0.0879 0.0903 0.4087 0.1052 0.4740 0.6183 0.6073 0.7157 0.4388 0.2642 0.1246 0.5281 0.0694 0.1639 0.1562 0.2124 0.4726 0.6279 0.1132 0.1150 0.3047 0.5932 0.5383 0.7381 0.6881 0.4500 0.5348 0.2805 0.3450 0.3250 0.3349 0.2032 0.6867 0.7460 0.0795 0.4399 0.2369 0.7419 0.4498 0.6599 0.2654 0.0987 0.5931 0.6502 0.6845 0.6060 0.5019 0.6141 0.5675 0.2633 0.7374 0.2086 0.0451 0.1210 0.7153 0.7193 0.7372 0.7496 0.5003 0.6048 0.6339 0.7173 0.2934 0.6625 0.7034 0.6304 0.6191 0.5170 0.7060 0.3801 0.7190 0.7266 0.7472 0.7144 0.7485 0.7471 0.7410 0.6522 0.7498 0.7499 0.5242 0.7312 0.6918 0.6464 0.7390 0.7308 0.7410 0.4933 0.5328 0.6654 0.7405 0.6747 0.2899 0.1746 0.0559 0.0164 0.0057 0.1139 0.0215 0.2015 0.5570 0.2267 0.3026 0.0387 0.7481 0.7195 0.7492 0.7493 0.7500 0.6247 0.7222 0.6365 0.7246 0.6054 0.2906 0.7498 0.6263 0.4335 0.1597 0.7233 0.1394 0.2873 0.2161 0.1861 0.1544 0.8414 0.8562 0.8472 0.8511 0.8495 0.8260 0.8217 0.8561 0.8387 0.8540 0.8563 0.8539 0.8505 0.5724 0.8268 0.8359 0.7828 0.4354 0.8496 0.8295 0.8488 0.5968 0.8532 0.5604 0.4235 0.7981 0.4515 0.7158 0.4659 0.8065 0.6441 0.8278 0.2864 0.5317 0.2460 0.2311 0.8126 0.7770 0.4880 0.7874 0.2956 0.6415 0.8400 0.4374 0.5671 0.5593 0.8560 0.6717 0.8553 0.1617 0.1657 0.5802 0.1904 0.6431 0.7641 0.7557 0.8343 0.6099 0.4180 0.2216 0.6912 0.1298 0.2816 0.2702 0.3503 0.6418 0.7714 0.2035 0.2063 0.4670 0.7447 0.6998 0.8493 0.8152 0.6207 0.6969 0.4382 0.5130 0.4906 0.5017 0.3377 0.8143 0.8545 0.1473 0.6110 0.3831 0.8518 0.6205 0.7951 0.4195 0.1797 0.7446 0.7881 0.8127 0.7547 0.6683 0.7609 0.7241 0.4168 0.8489 0.3452 0.0863 0.2158 0.8340 0.8367 0.8487 0.8569 0.6669 0.7537 0.7759 0.8354 0.4537 0.7970 0.8259 0.7733 0.7648 0.6816 0.8277 0.5508 0.8366 0.8416 0.8553 0.8334 0.8562 0.8552 0.8512 0.7895 0.8570 0.8571 0.6878 0.8447 0.8178 0.7853 0.8499 0.8445 0.8512 0.6607 0.6952 0.7991 0.8509 0.8057 0.4495 0.2974 0.1060 0.0322 0.0113 0.2045 0.0421 0.3354 0.7155 0.3697 0.4647 0.0744 0.8559 0.8369 0.8566 0.8567 0.8571 0.7690 0.8387 0.7779 0.8403 0.7542 0.4503 0.8570 0.7702 0.6048 0.2754 0.8394 0.2446 0.4464 0.3554 0.3138 0.2675 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 7 1 6 6 6 6 6 6 6 6 7 6 1 6 6 8 7 6 8 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 14.00307 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8573.5428 16323.4251 18890.1484 0.99985 -0.01698 0.00258 0.01692 0.99963 0.02109 -0.00294 -0.02105 0.99977 1 0.01010 0.00531 0.00459 0.21050 0.11056 0.09554 22.42 31.43 36.95 39.74 57.83 63.93 93.62 113.89 130.39 143.37 160.32 167.51 183.55 208.45 234.40 245.73 258.13 282.27 320.63 344.08 362.41 367.71 373.36 403.22 417.57 425.85 448.67 466.72 472.81 522.52 543.97 574.50 605.96 643.18 692.07 703.24 722.04 742.90 754.74 763.29 792.91 808.28 843.21 878.30 888.85 897.98 914.58 993.01 1024.33 1089.72 1121.22 1135.84 1155.87 1173.57 1178.96 1184.51 1237.45 1282.43 1289.33 1299.98 1303.38 1337.56 1368.85 1409.57 1412.58 1425.68 1443.38 1459.35 1490.45 1497.51 1547.50 1559.50 1566.38 1580.08 1595.66 1596.56 1611.46 1617.57 1627.74 1636.98 1664.76 1677.27 1686.15 1688.21 1689.97 1747.82 1771.04 1776.99 1784.27 1791.24 1820.87 1847.11 1852.64 1871.47 1878.57 1883.27 1927.44 1932.73 1962.19 1970.19 1973.90 2018.94 2036.33 2058.92 2070.20 2091.86 2106.55 2116.40 2154.03 2187.56 2194.24 2247.54 2254.59 2255.85 2258.72 2263.35 2265.03 2292.16 2325.61 2345.91 2347.13 2349.24 2354.32 2355.00 2357.27 2360.43 2361.90 2362.30 2364.77 2374.88 2381.12 2382.14 2393.46 2400.56 2404.16 2421.24 2453.32 2556.43 2587.62 2605.74 2613.69 2752.97 2891.15 4619.99 4622.99 4624.76 4627.06 4640.40 4667.48 4675.44 4680.83 4683.62 4691.42 4702.79 4703.42 4719.99 4734.82 4741.34 4744.19 4746.56 4770.63 4773.55 4799.12 4833.63 4840.37 4856.94 4864.63 4867.03 4872.20 4891.98 5094.80 5449.50 5534.89 5559.08 0.556142 0.583468 0.584412 0.495427 -1255.861514 -1255.834189 -1255.833245 -1255.922229 2.984538D-04 MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE CCC[NH+]1Cc2cccc(c2C1)N[C@@H](C)C(=O)NC(=O)Nc3ccc(cc3C)C C66967889 RHF 6-31G(d) (6D,10F) C1 395.244701 |X|Y|Z| 57.398177 42.822757 86.254304 59.628126 21 6 7 17 4 |36.858105| |12.454949|36.858105| |7.568466|12.493848|36.858105| |4.945143|7.600176|12.769536|53.358707| |4.697677|7.154297|9.291355|25.463094|0.500000| |4.189301|6.107546|7.482561|17.267692|0.258017|36.858105| |3.201082|4.227721|5.123703|11.104035|0.200533|12.634170|36.858105| |2.676101|3.376858|3.790031|7.081591|0.138496|7.327553|13.836389|36.858105| |2.298213|2.796680|3.148093|5.625534|0.113150|4.989732|8.046838|13.703211|36.858105| |2.256950|2.714610|3.152218|5.636859|0.114183|4.504673|6.954006|7.896118|13.769145|36.858105| |2.546315|3.100384|3.798372|7.106503|0.141917|5.170651|7.894534|6.744347|7.861122|13.660523|36.858105| |3.091157|3.954007|5.141962|11.156894|0.204710|8.051119|13.728780|7.888288|6.920420|8.021919|13.738300|36.858105| |3.793962|4.933865|7.573844|17.295031|0.263533|7.983507|8.073989|5.179767|4.491379|4.966229|7.255135|12.623664|36.858105| |2.358186|2.774793|3.387467|5.862901|0.119576|3.946818|5.101077|4.493106|5.146138|7.866698|13.418889|7.691228|6.044109|53.358707| |2.251209|2.626340|3.090244|5.208096|0.113024|3.437351|4.204863|3.829994|4.337174|6.011640|7.818061|5.640458|4.851406|17.707942|36.858105| |2.096007|2.446365|2.798697|4.713095|0.102968|3.262007|4.074237|3.948486|4.717965|6.617061|7.199650|5.086955|4.146664|12.554378|17.586107|0.500000| |2.019590|2.278839|2.647123|4.197341|0.089496|2.762160|3.201340|2.958602|3.291573|4.254513|5.075363|4.053671|3.806244|10.589654|12.501378|0.246662|36.858105| |2.600854|3.091778|3.640803|6.225181|0.145146|3.825451|4.417959|3.812188|3.971679|4.931957|6.503870|5.826001|5.553384|10.646275|12.405454|0.244598|7.554982|36.858105| |2.868672|3.372542|4.097891|6.710795|0.154923|3.829199|4.137125|3.435703|3.431256|4.095538|5.475682|5.462172|6.118282|8.879242|8.010538|0.163165|6.437185|15.970017|73.516695| |2.584990|3.115729|3.474722|5.969331|0.147304|3.836614|4.387953|3.947792|4.057951|4.696529|5.492898|5.177810|4.718946|7.589449|7.669037|0.208233|5.304943|13.803287|15.008644|53.358707| |2.962707|3.668147|3.909304|6.660448|0.179346|4.193636|4.425333|3.896723|3.720993|3.964635|4.528912|4.805387|4.666913|5.818578|5.047375|0.136273|3.890198|7.743143|11.892889|18.480695|36.858105| |3.639300|4.765402|5.123826|9.011800|0.281296|5.161871|5.010428|4.106372|3.692825|3.844753|4.557975|5.357975|5.691209|5.660146|4.503419|0.116609|3.535489|6.639545|11.819808|11.336396|15.817276|73.516695| |2.652734|3.179675|3.209764|5.157335|0.130897|3.452397|3.588181|3.356140|3.244623|3.341625|3.574939|3.691933|3.543108|4.626099|3.994998|0.113510|3.280584|5.337345|8.372538|11.321523|14.210086|15.042005|53.358707| |2.767285|3.285383|3.118835|4.787877|0.119825|3.275435|3.225906|3.041242|2.847746|2.823357|2.973254|3.170150|3.121912|3.789485|3.108035|0.087545|2.646149|3.913500|6.545473|7.089917|7.791333|12.014117|18.069897|36.858105| |2.626506|3.127629|2.907388|4.477758|0.108560|3.258443|3.210296|3.148867|2.910665|2.772799|2.816747|3.009915|2.878756|3.492924|2.781672|0.079934|2.363655|3.315403|5.481093|5.790834|5.689315|9.350602|10.707445|13.794401|36.858105| |2.568297|2.967942|2.661101|3.926957|0.092230|2.888765|2.761029|2.716809|2.491346|2.352944|2.383574|2.563690|2.501631|2.975330|2.324831|0.066186|2.025924|2.705337|4.593819|4.460574|4.139917|7.234076|7.008073|7.936759|13.755985|36.858105| |2.635671|2.943885|2.591670|3.682533|0.085933|2.627333|2.463034|2.371067|2.181959|2.098076|2.163592|2.334285|2.348759|2.752960|2.153576|0.060331|1.914991|2.523626|4.399749|4.050211|3.736413|6.689953|6.149580|6.847143|7.927617|13.739194|36.858105| |2.782397|3.081646|2.745534|3.862001|0.091585|2.643566|2.477347|2.330288|2.160818|2.125805|2.239111|2.414346|2.483199|2.900332|2.302849|0.063631|2.062724|2.771328|4.916846|4.449955|4.210158|7.537299|6.998464|8.006040|6.937081|7.981081|13.680520|36.858105| |2.854507|3.255530|3.013906|4.371625|0.107169|2.909512|2.778217|2.577909|2.410652|2.414271|2.580838|2.769192|2.845709|3.368097|2.740069|0.075403|2.420844|3.433062|6.050343|5.748347|5.839883|9.980896|10.552761|13.660292|7.892651|6.811879|7.819986|13.740955|36.858105| |2.826485|3.129168|2.994293|4.246214|0.102980|2.715618|2.606551|2.376029|2.254993|2.322709|2.541784|2.699779|2.859063|3.433578|2.842288|0.076317|2.583422|3.643886|6.696896|5.834768|5.600117|9.576937|8.895879|7.512276|5.005781|4.423175|4.991904|7.561895|12.613015|36.858105| |2.426720|2.613985|2.279081|3.160049|0.071604|2.283587|2.127249|2.064281|1.903500|1.822434|1.867383|2.008866|2.030433|2.385672|1.842419|0.051533|1.664036|2.108947|3.708139|3.279828|2.891950|5.237947|4.527894|4.438038|5.017511|7.541501|12.611446|7.563821|4.998804|3.784657|36.858105| |17.590923|8.825850|5.509160|5.572012|0.111737|3.674702|2.875747|2.476857|2.137096|2.077161|2.296786|2.732414|3.208986|2.895890|2.055526|0.053828|1.852452|2.361079|4.551033|3.255881|2.762503|5.907348|3.466358|2.730320|2.633242|2.647980|2.763474|2.879343|2.857953|2.779076|2.601105|0.500000| |17.560451|8.766414|6.844948|6.257710|0.124730|3.720796|2.973553|2.490564|2.184857|2.186779|2.493513|2.976819|3.716951|3.218754|2.285675|0.058541|2.078150|2.671057|5.359150|3.570155|2.994801|6.513728|3.636663|2.762810|2.555346|2.481985|2.586822|2.807605|2.914514|2.992752|2.371100|0.302097|0.500000| |17.554913|8.759774|6.855863|6.184347|0.114447|4.004503|3.082194|2.590636|2.229395|2.186571|2.458087|2.973890|3.639997|3.099472|2.138031|0.055280|1.932471|2.412657|4.710084|3.215646|2.634390|5.619000|3.212361|2.425754|2.328664|2.275725|2.309914|2.407735|2.468949|2.451038|2.153290|0.302170|0.301126|0.500000| |8.839103|17.537403|8.886476|9.606583|0.218062|5.606642|4.119218|3.349375|2.805613|2.731750|3.104574|3.883824|4.681874|3.805347|2.725720|0.070928|2.349560|3.307116|6.381274|4.690623|4.279209|10.306780|5.076631|3.969862|3.702772|3.492616|3.499759|3.734458|3.984767|3.758399|3.015578|0.212737|0.211050|0.172676|0.500000| |8.865906|17.551850|8.841945|9.293089|0.173322|6.713590|4.407640|3.596757|2.895834|2.725239|3.028676|3.863298|4.509918|3.603633|2.480484|0.065242|2.141361|2.846189|5.350087|3.958689|3.385963|7.554387|4.081981|3.130539|3.104264|2.986602|2.900377|2.927546|3.031166|2.825955|2.609906|0.214251|0.173046|0.210657|0.302585|0.500000| |6.765669|8.766233|17.600131|12.417968|0.181056|6.917850|4.858327|3.659438|3.048550|3.037689|3.617937|4.827978|6.870743|4.392519|2.861910|0.072244|2.490682|3.221615|6.355536|4.118658|3.275056|7.203437|3.745204|2.668854|2.535293|2.349832|2.283678|2.385098|2.576474|2.560665|2.047948|0.139353|0.165654|0.200238|0.173217|0.212132|0.500000| |6.963538|8.832603|17.607986|12.515099|0.223319|5.562556|4.361366|3.330271|2.888923|2.987798|3.663557|4.724828|7.222093|4.679973|3.199941|0.078833|2.798220|3.860490|8.168748|4.863898|3.978276|9.222233|4.399967|3.095845|2.797981|2.551302|2.528868|2.750275|3.064278|3.173695|2.219099|0.141657|0.206734|0.171824|0.210779|0.173375|0.301435|0.500000| |4.292685|6.424641|6.485046|12.202531|0.230498|17.653134|8.717200|6.570777|4.526885|3.953338|4.287629|5.917700|5.770646|4.614866|3.093846|0.083355|2.517481|3.492030|6.143437|5.008790|4.222219|9.255075|4.916814|3.574893|3.681837|3.299461|2.952390|2.904419|3.143780|2.833778|2.553525|0.108718|0.103438|0.110751|0.172755|0.214722|0.159707|0.136840|0.500000| |4.239137|5.827569|7.169040|12.311069|0.181410|17.576752|8.750415|6.083150|4.369358|3.959215|4.453266|6.414044|6.758589|4.802857|3.025916|0.079564|2.512961|3.260696|5.899412|4.346580|3.408428|7.222886|3.935412|2.781737|2.781117|2.536819|2.345214|2.350858|2.535376|2.396722|2.087889|0.102481|0.102446|0.118803|0.137553|0.186236|0.217719|0.145862|0.299919|0.500000| |2.620584|3.279954|3.506442|6.175955|0.121452|6.583051|8.879250|17.723850|8.868138|5.623721|4.885778|5.612116|4.231626|4.880268|3.175630|0.091384|2.546483|3.208302|5.231433|4.616099|3.465302|6.508919|4.231214|2.925959|3.133447|2.767783|2.392792|2.301845|2.491399|2.257915|2.107615|0.068521|0.066816|0.070683|0.090186|0.100263|0.094828|0.084651|0.184146|0.160665|0.500000| |2.066143|2.464773|2.700422|4.611117|0.093517|4.035776|5.693292|8.913306|17.730538|8.952194|5.622118|4.977881|3.584600|5.701463|3.706110|0.114779|2.941276|3.371327|5.211911|4.771358|3.241149|5.620199|4.009379|2.629641|2.740725|2.377571|2.072662|2.028197|2.233554|2.076714|1.827009|0.054047|0.054577|0.055847|0.068879|0.071367|0.073104|0.069300|0.106196|0.101518|0.214063|0.500000| |2.014669|2.368124|2.706810|4.625332|0.094605|3.593331|4.994938|5.628384|8.918669|17.730137|8.956753|5.693404|4.024780|9.945264|6.009865|0.198813|4.472316|4.540147|6.650577|5.849527|3.536549|5.927548|4.187409|2.595681|2.544312|2.174486|1.949518|1.977705|2.238746|2.172796|1.704935|0.051887|0.054674|0.054350|0.066438|0.065731|0.072812|0.072533|0.090014|0.090141|0.123820|0.215905|0.500000| |3.744108|4.622141|7.195262|12.333349|0.183231|6.859539|6.602494|4.575999|4.016521|4.376169|5.988150|8.805003|17.563466|7.146630|4.112396|0.098830|3.430205|4.396455|8.649389|5.112446|3.692035|7.719995|4.016031|2.665678|2.495202|2.220785|2.105945|2.211328|2.478461|2.502241|1.856268|0.087092|0.101462|0.104251|0.115643|0.119200|0.214037|0.189810|0.139322|0.189745|0.107219|0.091375|0.101448|0.500000| |3.669523|4.572341|6.690711|12.290119|0.236456|5.764905|5.850700|4.225187|3.884601|4.453591|6.473997|8.633075|17.710465|8.610235|5.449377|0.122438|4.343899|6.802936|15.378146|7.198847|5.101804|11.001476|5.116936|3.235131|2.881000|2.488371|2.370360|2.565002|2.997834|3.122424|2.036500|0.086436|0.104300|0.096031|0.125545|0.111434|0.160957|0.207401|0.129513|0.138516|0.098346|0.088627|0.104949|0.299044|0.500000| |2.473340|2.878470|3.618114|6.086456|0.120785|3.906649|4.746742|4.002227|4.303770|5.881696|9.397170|7.207955|6.709133|25.922947|9.363862|0.182398|7.298396|7.120768|12.397551|6.702087|3.980240|7.161423|4.301358|2.640844|2.413974|2.084598|1.957438|2.078902|2.402373|2.490627|1.706912|0.061239|0.069597|0.066773|0.079493|0.075156|0.096785|0.104598|0.091892|0.099203|0.090851|0.099080|0.150346|0.169232|0.207462|0.500000| |1.920157|2.149497|2.439040|3.807251|0.082597|2.515545|2.858360|2.680653|2.955928|3.665272|4.160348|3.472533|3.298795|7.638174|8.807565|0.212785|17.565009|6.818474|10.295722|7.209652|3.883431|6.075771|4.616534|2.711917|2.395746|2.049986|1.946383|2.111715|2.494458|2.696065|1.687432|0.049383|0.055112|0.050708|0.062307|0.056070|0.063251|0.071763|0.064989|0.063453|0.065252|0.074823|0.107309|0.082410|0.104138|0.146004|0.500000| |1.859460|2.083364|2.405825|3.785660|0.079191|2.564594|3.000882|2.844771|3.242459|4.225714|4.774517|3.722856|3.412037|9.727269|8.889559|0.213981|17.603307|5.511323|8.570092|5.815296|3.282257|5.378056|3.874005|2.351896|2.147338|1.861485|1.754436|1.866069|2.152708|2.263357|1.540956|0.047574|0.052777|0.049911|0.059055|0.055026|0.063983|0.069696|0.064909|0.065803|0.068331|0.081922|0.129875|0.087971|0.103875|0.182407|0.300431|0.500000| |2.107576|2.352557|2.774049|4.299701|0.090597|2.752024|3.098849|2.788850|3.004975|3.775732|4.667622|3.960593|3.970338|9.500184|8.825741|0.173658|17.586950|6.937789|12.451144|6.460022|3.688778|6.193645|4.194007|2.537189|2.251453|1.952260|1.869578|2.029944|2.372094|2.576790|1.632974|0.053254|0.060914|0.056187|0.066883|0.060660|0.072758|0.083268|0.069114|0.070303|0.067098|0.074218|0.106398|0.101234|0.130741|0.214050|0.301764|0.300132|0.500000| |2.317261|2.759210|3.020374|5.116631|0.121720|3.483703|4.096797|3.922760|4.226933|4.889951|5.233902|4.648360|4.020661|7.144216|7.328580|0.237223|5.144709|9.310900|10.867799|26.026853|9.279776|11.004535|10.434104|4.906474|4.216491|3.229742|2.872894|3.079812|3.884372|3.815386|2.341703|0.060277|0.064728|0.059393|0.083874|0.073085|0.074689|0.084773|0.094009|0.081647|0.094320|0.104068|0.129158|0.091953|0.119693|0.123629|0.146827|0.119647|0.121439|0.500000| |2.341803|2.737856|2.791759|4.420607|0.107846|3.000424|3.188111|3.056040|3.059362|3.202829|3.360324|3.328055|3.151624|4.479974|4.006109|0.117055|3.374800|5.133028|7.825863|10.749085|9.476998|10.900197|26.016411|9.096558|6.403101|4.502161|4.010189|4.511105|6.381805|5.837021|3.055556|0.062629|0.065853|0.058657|0.086972|0.072155|0.067891|0.078693|0.085911|0.071266|0.078661|0.078539|0.084297|0.074272|0.093395|0.084249|0.100024|0.081432|0.086417|0.228461|0.500000| |2.480377|2.982719|2.840074|4.506864|0.107846|3.402722|3.481645|3.545933|3.303767|3.078997|3.037243|3.200769|2.941235|3.689643|2.923734|0.085964|2.440286|3.397300|5.454542|6.008087|5.585440|8.920561|9.914684|8.961115|17.714003|8.906612|5.638793|4.984978|5.633201|4.087479|4.085479|0.068401|0.066443|0.062036|0.095400|0.083694|0.069668|0.074986|0.106821|0.080046|0.098709|0.087272|0.078276|0.070643|0.080434|0.069617|0.068283|0.062084|0.063666|0.126711|0.172862|0.500000| |2.394783|2.747710|2.464517|3.632400|0.083333|2.754357|2.644377|2.664458|2.440254|2.263952|2.252889|2.413478|2.324898|2.790192|2.151827|0.061704|1.880843|2.442074|4.129332|3.953683|3.518576|6.180114|5.695567|5.652623|8.935497|17.718551|8.905575|5.656187|4.920373|3.539603|6.964358|0.068991|0.063535|0.059779|0.087476|0.078592|0.061460|0.064896|0.087997|0.068041|0.077055|0.065687|0.058302|0.057997|0.063382|0.054161|0.052625|0.048542|0.050220|0.080746|0.104921|0.215298|0.500000| |2.727253|2.911667|2.584088|3.536470|0.082336|2.399349|2.234902|2.093242|1.948945|1.929985|2.042616|2.198042|2.294728|2.677109|2.116400|0.058002|1.930100|2.523737|4.557202|3.929662|3.584958|6.505675|5.667334|5.679070|4.983898|5.670393|8.936589|17.701139|8.969124|7.059123|7.059415|0.079261|0.077632|0.065598|0.096621|0.076116|0.062873|0.072840|0.072323|0.060237|0.057399|0.050919|0.050153|0.057524|0.066248|0.053830|0.054978|0.048637|0.053268|0.075299|0.104845|0.108044|0.124341|0.500000| |2.755836|2.939758|2.764041|3.793878|0.089536|2.445110|2.319244|2.122962|2.012078|2.062465|2.245479|2.387771|2.552964|3.043633|2.477819|0.066403|2.299814|3.074150|5.731866|4.719058|4.278046|7.588513|6.516449|5.564967|4.178033|3.976908|4.762328|7.302902|8.875545|17.601378|3.837641|0.076470|0.081980|0.066423|0.096848|0.073754|0.066484|0.081704|0.070903|0.061047|0.056552|0.051845|0.053871|0.063334|0.076941|0.061900|0.066532|0.056638|0.064344|0.087248|0.123065|0.096098|0.090505|0.226722|0.500000| |2.481904|2.738530|2.695664|3.889329|0.093026|2.514982|2.482732|2.293017|2.223906|2.321571|2.524362|2.608318|2.710724|3.476229|2.958860|0.080132|2.733085|3.771089|6.774287|6.104150|5.476878|8.616041|9.048265|6.690783|4.584523|3.957346|4.267076|5.858449|8.825433|17.550185|3.333463|0.067315|0.072756|0.060962|0.088663|0.069516|0.065089|0.079432|0.071934|0.061885|0.060149|0.057218|0.061175|0.066071|0.082806|0.069517|0.081154|0.066153|0.074971|0.113153|0.184234|0.108202|0.090184|0.152294|0.302389|0.500000| |3.193517|3.579977|3.493950|4.928197|0.121954|3.019125|2.865079|2.542069|2.393239|2.492903|2.801017|3.025859|3.309071|3.802832|3.135819|0.082085|2.826433|4.184147|8.052339|6.507345|6.410460|11.798437|8.810003|6.632585|4.565681|3.959874|4.288180|5.913253|8.842308|17.563873|3.348313|0.085196|0.095666|0.076054|0.121034|0.087184|0.081212|0.105703|0.086221|0.073499|0.066246|0.060329|0.064115|0.079403|0.102944|0.077647|0.080850|0.067856|0.079564|0.112449|0.153538|0.107546|0.090203|0.154335|0.301768|0.302077|0.500000| 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