Version2.0 2020-08-09T06:13:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 24-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc2c([nH+]1)cccc2Nc3c(c(ncn3)NCC[NH+]4CCCCC4)N C40756512 RHF 6-31G(d) (6D,7F) Cc1ccc2c([nH+]1)cccc2Nc3c(c(ncn3)NCC[NH+]4CCCCC4)N C01[X(C21H29N7)] 165 C1 478 Cc1ccc2c([nH+]1)cccc2Nc1ncnc(c1N)NCC[NH+]1CCCCC1 Cc1ccc2c([nH+]1)cccc2Nc1ncnc(c1N)NCC[NH+]1CCCCC1 Cc1ccc2c(Nc3ncnc(NCC[NH+]4CCCCC4)c3N)cccc2[nH+]1 InChIKey=SGVQHKSNPAGQNF-UHFFFAOYSA-P InChI=1S/C21H27N7/c1-15-8-9-16-17(26-15)6-5-7-18(16)27-21-19(22)20(24-14-25-21)23-10-13-28-11-3-2-4-12-28/h5-9,14H,2-4,10-13,22H2,1H3,(H2,23,24,25,27)/p+2 InChI=1/C21H27N7/c1-15-8-9-16-17(26-15)6-5-7-18(16)27-21-19(22)20(24-14-25-21)23-10-13-28-11-3-2-4-12-28/h5-9,14H,2-4,10-13,22H2,1H3,(H2,23,24,25,27)/p+2/fC21H29N7/h23,26-28H/q+2 Cc1ccc2c([nH+]1)cccc2Nc3c(c(ncn3)NCC[NH+]4CCCCC4)N C01[X(C21H29N7)] 165 C01 478 Cc1ccc2c([nH+]1)cccc2Nc1ncnc(c1N)NCC[NH+]1CCCCC1 C[C]1[CH][CH][C]2[C]([CH][CH][CH][C]2N[C]2[N][CH][N][C]([C]2N)NCC[NH]2CCCCC2)[NH]1 C[C]1[CH][CH][C]2[C]([CH][CH][CH][C]2N[C]3[N][CH][N][C](NCC[NH]4CCCCC4)[C]3N)N1 InChIKey=YZZQAWSQUGIYHC-UHFFFAOYSA-N InChI=1S/C21H29N7/c1-15-8-9-16-17(26-15)6-5-7-18(16)27-21-19(22)20(24-14-25-21)23-10-13-28-11-3-2-4-12-28/h5-9,14,26,28H,2-4,10-13,22H2,1H3,(H2,23,24,25,27) InChI=1/C21H29N7/c1-15-8-9-16-17(26-15)6-5-7-18(16)27-21-19(22)20(24-14-25-21)23-10-13-28-11-3-2-4-12-28/h5-9,14,26,28H,2-4,10-13,22H2,1H3,(H2,23,24,25,27)/f/h23,27H 2463.1322576806 -1192.8669703 1-A 21139.8880 101 377 478 |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| -15.89932 -15.86896 -15.77590 -15.77516 -15.74217 -15.72640 -15.72064 -11.54238 -11.50927 -11.50795 -11.50763 -11.48788 -11.48780 -11.48776 -11.48637 -11.48567 -11.48191 -11.47610 -11.45833 -11.44812 -11.43954 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1615.2279 1628.0631 1632.7573 1634.1707 1639.3111 1639.9210 1642.1396 1650.0332 1650.5626 1661.4838 1672.5843 1695.8968 1722.3439 1784.7387 1791.8815 1801.9904 1820.8008 1828.8258 1848.9458 3208.9517 3210.5893 3223.3454 3225.2802 3243.1764 3266.9407 3275.1527 3282.4724 3285.0779 3289.9015 3291.5089 3300.0569 3307.2780 3323.6971 3330.7375 3351.4058 3364.4427 3383.7628 3397.4169 3404.6600 3411.9377 3425.6181 3456.5936 3678.5487 3737.2687 3806.7398 3826.3141 3835.8891 3898.5181 4.7011 3.4250 4.7507 1.1230 3.1844 4.8463 4.6711 3.5705 3.9914 3.5710 4.0921 4.0403 5.4529 3.4950 2.9504 2.0555 4.1386 4.0817 3.0667 3.4488 3.6626 3.8086 1.2294 2.1523 3.3011 2.7034 3.8124 3.1343 1.2217 2.8303 2.6972 4.3771 3.5947 2.7775 3.1209 3.9733 3.2535 5.1445 3.0924 2.5251 2.2439 2.2424 4.0395 3.1916 3.4798 4.5488 8.3854 2.2222 1.7663 1.8467 2.8359 1.4609 1.7704 1.6214 4.5599 2.9316 3.1871 2.0009 2.5941 1.6795 1.7528 2.4453 4.3386 1.4727 1.7834 2.9714 1.9854 4.3745 2.5227 1.9982 1.7703 2.5348 2.1528 1.5817 1.4785 1.3963 2.0574 2.6832 1.6325 2.3098 1.8906 1.1918 3.2264 2.4456 2.6652 1.3031 1.2682 2.8545 4.1613 1.4574 1.4912 2.4612 1.3503 2.0982 1.2176 1.2057 2.6997 3.7238 1.2926 1.4263 1.2594 2.9391 1.6052 2.0459 1.2919 1.7894 1.4205 1.4109 1.4114 1.4561 2.0177 1.2202 1.4649 1.5742 1.3658 1.3312 1.3714 1.2590 1.1022 1.0838 1.1046 1.5387 1.1045 1.1728 1.1018 2.2603 1.0929 1.9655 3.1320 2.7669 5.2503 3.5626 2.8695 4.5960 1.4053 3.9266 1.0715 1.0744 1.0665 1.0381 1.0664 1.0644 1.0810 1.0917 1.0798 1.0848 1.0813 1.1009 1.0993 1.1059 1.1108 1.1068 1.1090 1.0920 1.0941 1.0966 1.0912 1.0976 1.0943 1.0778 1.0485 1.0800 1.0981 1.0768 1.0783 0.0003 0.0003 0.0011 0.0007 0.0024 0.0054 0.0116 0.0154 0.0274 0.0358 0.0469 0.0599 0.1024 0.0797 0.0944 0.0747 0.1551 0.1702 0.1312 0.1759 0.2026 0.2338 0.0795 0.1626 0.2521 0.2379 0.3707 0.3602 0.1565 0.3843 0.3860 0.6333 0.5533 0.4322 0.5427 0.7326 0.6260 1.0381 0.6715 0.5869 0.5481 0.5631 1.0485 0.9637 1.1218 1.5266 3.0615 0.8418 0.6953 0.7436 1.1634 0.6183 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0.4264 0.8682 1.2449 8.7750 2.1268 8.5446 10.6933 7.6544 9.8936 30.5313 25.7535 25.5387 42.3725 2.8478 9.5601 6.9671 24.0736 3.6788 13.3729 133.7241 39.7167 0.6791 14.9288 10.0935 4.4096 35.9097 85.3899 31.2464 92.3350 2.0423 3.1260 2.6692 3.4397 7.0877 0.1443 47.4293 8.5056 33.7153 43.5531 19.0850 2.9458 39.5961 1.4371 43.1087 7.8027 0.4353 0.7706 4.0151 22.4286 23.2066 3.3354 30.3274 19.3894 29.0441 160.8954 15.3972 48.3095 0.6103 28.5436 12.2709 15.1833 12.1265 98.1243 1.6450 289.6639 1.8685 1.7845 52.2323 399.0300 21.7127 48.6739 9.9665 71.4018 64.4139 8.4253 1.4397 166.0340 6.3313 6.1681 42.8366 28.7854 55.1448 11.6496 290.3747 182.8214 16.3047 8.8643 36.7692 28.1678 1.5708 28.4603 4.2642 48.8198 41.3056 33.5792 16.1707 69.9457 21.3601 438.0345 224.0836 3.7931 639.2847 600.6600 36.3655 60.6198 480.1198 322.5352 5.9043 12.3597 31.2737 0.9650 36.8725 1.9653 4.4607 10.1114 6.7289 4.0203 19.8317 3.9117 10.0999 3.4244 7.2142 7.6436 3.3036 0.1833 19.7228 2.0443 1.5664 0.3133 0.7754 32.0472 16.3069 132.7290 20.9550 82.7781 54.0299 3.5333 2.6070 0.4038 0.5181 1.3940 2.7963 3.3920 0.3103 0.4603 1.3937 0.2558 2.5736 2.1566 1.3481 0.6663 0.4333 1.9315 3.0115 0.4985 0.4608 1.3942 5.8292 5.7769 1.2188 6.5822 0.5291 1.4809 2.8989 1.4223 3.0924 1.3838 16.1838 1.4170 0.7632 5.2696 2.9478 1.0033 5.1266 6.8677 25.6901 12.5562 36.4434 6.6406 1.1167 2.6339 22.5252 1.1631 4.6402 8.9324 3.5863 6.4781 2.5287 4.5791 2.3430 5.9700 19.8489 23.8976 0.4721 1.2599 4.5353 1.1706 4.4263 6.4872 2.4509 1.3796 1.4054 0.6937 7.8023 7.8986 11.9363 4.9119 6.5204 2.1301 5.6286 1.4363 0.6393 2.7887 13.3719 0.7371 13.6500 3.8788 3.7533 31.7601 10.2243 9.1144 37.1893 1.6140 20.6878 36.7275 24.5824 2.8283 1.7482 5.8376 150.5951 5.4615 23.4476 109.7394 289.6772 11.5118 6.9081 8.4004 50.1598 23.3794 13.0399 5.6394 5.0586 1.7054 1.6874 0.7666 2.9341 18.9641 26.9092 10.4938 5.0946 14.1064 10.3915 8.3410 36.1147 17.4139 9.1654 6.8569 45.3317 7.9720 50.8304 2.4367 14.9138 3.9193 68.1777 26.2383 40.0806 125.6615 23.9704 53.6774 69.9871 15.7864 43.1104 18.2483 178.6112 17.7552 240.0186 94.4340 33.2141 59.5378 89.4506 55.6579 180.2783 97.0269 98.6752 24.9479 77.0478 40.4154 64.7515 23.1344 67.5461 89.8261 164.9234 54.6371 107.7218 91.6939 25.4232 119.3748 49.7230 64.0285 111.4671 51.8336 0.7166 0.7366 0.7119 0.5323 0.7449 0.6534 0.7425 0.6589 0.7353 0.5093 0.7341 0.4432 0.1542 0.5881 0.7418 0.7499 0.4933 0.7495 0.6322 0.7491 0.5415 0.3636 0.4921 0.5077 0.4822 0.6993 0.3101 0.7460 0.3722 0.5039 0.1013 0.2374 0.1683 0.3000 0.5305 0.4899 0.2290 0.3994 0.4900 0.2305 0.3538 0.5020 0.4548 0.7450 0.1977 0.1392 0.5598 0.3964 0.1440 0.4861 0.1461 0.3138 0.2242 0.7414 0.1186 0.1196 0.1133 0.7146 0.7425 0.2333 0.5486 0.4276 0.6188 0.6320 0.5404 0.7455 0.5182 0.3426 0.7469 0.7322 0.5306 0.7458 0.5250 0.7076 0.7496 0.6932 0.5349 0.3531 0.3070 0.1646 0.6462 0.7398 0.6165 0.3215 0.5188 0.4031 0.7463 0.2570 0.7469 0.2011 0.6425 0.2877 0.5266 0.1892 0.7483 0.6418 0.1840 0.1579 0.6789 0.6004 0.5448 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0.2827 0.7851 0.8505 0.7628 0.4866 0.6832 0.5746 0.8547 0.4089 0.8551 0.3349 0.7824 0.4469 0.6899 0.3182 0.8560 0.7818 0.3107 0.2727 0.8087 0.7503 0.7054 0.3552 0.7376 0.2482 0.8559 0.7785 0.7527 0.7832 0.6483 0.5890 0.7230 0.6687 0.4841 0.5843 0.7519 0.6036 0.3963 0.6701 0.8564 0.8268 0.8296 0.5462 0.7910 0.6526 0.8409 0.3425 0.8255 0.7186 0.5324 0.3386 0.7038 0.5781 0.8202 0.7509 0.8564 0.8496 0.7079 0.2493 0.8044 0.1365 0.2827 0.6778 0.8566 0.5766 0.1493 0.2228 0.4905 0.8504 0.8549 0.8378 0.7731 0.6425 0.7902 0.6500 0.4373 0.4141 0.8485 0.2551 0.3838 0.3380 0.1812 0.4635 0.8535 0.2847 0.2624 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 7 1 6 6 6 6 7 6 6 6 7 6 7 7 6 6 7 1 6 6 6 6 6 7 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 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 2984.0630 35544.1628 37144.6244 0.99999 0.00335 -0.00071 -0.00334 0.99999 0.00231 0.00072 -0.00230 1.00000 1 0.02903 0.00244 0.00233 0.60479 0.05077 0.04859 14.85 18.28 28.05 47.84 51.22 62.78 93.35 123.04 155.36 187.66 200.68 228.32 256.92 283.15 335.36 357.45 362.83 382.71 387.68 423.33 440.90 464.46 476.51 515.17 518.02 556.03 584.50 635.42 670.79 690.68 709.12 712.96 735.38 739.38 781.64 804.89 822.22 841.99 873.47 903.67 926.42 939.30 954.98 1029.98 1064.27 1085.89 1132.59 1153.68 1176.03 1189.39 1200.57 1219.50 1239.96 1258.44 1276.18 1286.60 1312.08 1316.22 1318.66 1359.87 1370.13 1387.95 1399.80 1470.55 1478.20 1484.91 1501.01 1545.03 1560.39 1599.90 1603.89 1621.27 1635.60 1638.48 1641.76 1654.68 1678.45 1680.69 1683.82 1725.35 1743.74 1775.92 1781.00 1802.28 1838.60 1851.65 1874.00 1878.45 1885.19 1900.21 1929.84 1942.37 1969.15 2015.08 2033.58 2038.73 2046.67 2077.22 2099.09 2106.02 2122.41 2132.03 2137.72 2143.09 2153.22 2204.16 2207.25 2213.15 2215.09 2224.63 2236.78 2253.55 2257.10 2270.15 2291.43 2301.37 2305.22 2323.95 2342.42 2349.17 2351.21 2358.60 2359.48 2362.67 2374.03 2374.79 2390.50 2406.48 2440.02 2478.07 2567.84 2578.12 2592.66 2619.73 2631.27 2660.22 4616.97 4619.32 4637.68 4640.46 4666.21 4700.40 4712.21 4722.75 4726.49 4733.43 4735.75 4748.05 4758.44 4782.06 4792.19 4821.93 4840.68 4868.48 4888.13 4898.55 4909.02 4928.70 4973.27 5292.61 5377.10 5477.05 5505.21 5518.99 5609.10 0.534558 0.558568 0.559512 0.476335 -1192.332412 -1192.308403 -1192.307458 -1192.390635 2.789770D-04 MUNgauss RevisionA2.0 retrievium 09-Aug-2020 DUDE Cc1ccc2c([nH+]1)cccc2Nc3c(c(ncn3)NCC[NH+]4CCCCC4)N C40756512 RHF 6-31G(d) (6D,10F) C1 379.248444 |X|Y|Z| 138.522439 37.620068 23.154717 49.415106 26 6 7 20 6 |36.858105| |12.704864|36.858105| |7.484998|13.619775|36.858105| |5.034653|7.974863|13.940882|36.858105| |4.431149|6.800150|7.837043|13.462427|36.858105| |5.091453|7.955330|6.855730|7.916620|13.563284|36.858105| |7.836527|14.426060|8.162101|7.064890|7.995941|13.848599|53.358707| |7.462401|9.540526|5.881628|5.152258|5.816331|9.371025|25.903223|0.500000| |3.951069|5.226341|4.564657|5.138164|7.780603|13.641788|10.792064|0.207774|36.858105| |3.144750|4.003090|3.815438|4.550786|6.865082|8.053158|7.143612|0.135636|13.938877|36.858105| |2.954767|3.806770|3.937719|5.105598|7.909048|6.891182|6.263545|0.112842|7.853458|13.555854|36.858105| |3.326416|4.503053|5.068360|7.580166|13.321499|7.811396|7.035071|0.118455|6.730992|7.903640|13.925310|36.858105| |2.909194|3.759013|4.488243|6.616459|7.863233|5.147880|5.397433|0.093191|4.506242|5.128788|7.820657|13.616075|53.358707| |2.440141|3.010215|3.483635|4.635444|5.186722|3.903036|4.293147|0.076855|3.650794|4.276092|6.202147|7.659297|18.965071|36.858105| |2.193779|2.627774|3.063740|3.886216|4.003970|3.142285|3.636067|0.065902|2.924012|3.291450|4.337298|5.133606|10.931349|13.638603|36.858105| |1.914447|2.238274|2.542116|3.081832|3.187215|2.635269|3.106706|0.057403|2.522080|2.847095|3.593241|3.934968|7.180710|8.080535|13.667810|36.858105| |1.837977|2.139610|2.377494|2.847692|3.030674|2.572896|3.016771|0.056310|2.527999|2.907338|3.635006|3.767052|6.368266|7.043586|7.981163|14.301205|53.358707| |1.989302|2.349924|2.586548|3.148145|3.493653|2.960332|3.381568|0.062956|2.958577|3.514024|4.545222|4.543062|7.411230|8.505590|7.173769|8.476287|19.708121|36.858105| |2.287697|2.782525|3.093041|3.936511|4.583625|3.708386|4.064876|0.074289|3.668011|4.486665|6.420135|6.602467|11.151948|14.355231|7.977791|7.033367|10.998798|14.528309|53.358707| |1.734778|1.988767|2.248927|2.644194|2.664815|2.254553|2.725037|0.050795|2.154774|2.380835|2.885555|3.133844|5.433799|5.245351|7.922077|13.954618|11.306007|5.470147|6.367229|53.358707| |1.557698|1.759101|1.958224|2.248738|2.270072|1.971671|2.412790|0.045484|1.907552|2.096763|2.470606|2.612465|4.289459|3.963995|5.109338|7.758085|9.473515|4.704841|5.231860|17.970296|36.858105| |1.446100|1.624419|1.778158|2.026549|2.085532|1.844890|2.253395|0.042868|1.818705|2.019397|2.354021|2.411552|3.844204|3.484300|4.210847|5.902641|8.137219|4.310837|4.762655|10.633374|12.435884|36.858105| |1.316938|1.462764|1.585387|1.778182|1.825047|1.641931|2.027325|0.038874|1.627755|1.791988|2.042177|2.070809|3.205003|2.814219|3.227261|4.191355|6.096150|3.518445|3.941611|6.857394|7.545556|12.665231|53.358707| |1.291394|1.427906|1.552962|1.731415|1.755914|1.578759|1.964333|0.037646|1.553129|1.692436|1.919182|1.968098|3.049230|2.643512|3.056087|3.890696|5.448194|3.183602|3.644327|6.558429|7.419490|9.280541|25.682244|0.500000| |1.317426|1.463297|1.575909|1.764857|1.825795|1.654480|2.039139|0.039220|1.652767|1.826237|2.068688|2.072733|3.156826|2.781499|3.058956|3.935458|6.239162|3.729727|4.060403|5.856032|5.940061|7.597541|17.167723|0.258242|36.858105| |1.201757|1.320578|1.411878|1.559024|1.603967|1.472135|1.834988|0.035521|1.472900|1.609554|1.789113|1.788450|2.674760|2.287400|2.470111|3.013255|4.607800|2.921626|3.317228|4.442668|4.222901|4.949499|10.382921|0.199924|12.504221|36.858105| |1.124108|1.229554|1.306825|1.435686|1.481068|1.369511|1.711881|0.033283|1.377224|1.503832|1.658342|1.645961|2.441875|2.057020|2.213154|2.635052|3.930982|2.540455|2.953933|3.892105|3.540917|4.360992|8.803414|0.165317|7.553369|12.459721|36.858105| |1.125816|1.231726|1.314896|1.446222|1.484630|1.365830|1.708675|0.033142|1.366347|1.489120|1.650183|1.650191|2.472278|2.077948|2.283588|2.720250|3.912824|2.480858|2.918281|4.167794|3.825417|4.955979|10.373457|0.199867|6.515319|7.586905|12.459224|36.858105| |1.220306|1.346332|1.445835|1.607734|1.656890|1.508937|1.871412|0.036113|1.507297|1.656741|1.863200|1.867309|2.840952|2.430622|2.728405|3.347938|4.783061|2.926108|3.391359|5.277341|4.980379|7.631922|17.176246|0.259474|7.668773|6.507817|7.534027|12.500400|36.858105| |2.258682|2.689573|3.211691|4.031157|3.899288|3.047114|3.621918|0.065298|2.756294|2.987106|3.780125|4.628023|9.465991|7.833772|13.405522|7.616350|6.982312|4.674751|7.075315|8.862196|4.379093|3.636785|3.889002|0.077009|2.637942|2.195068|2.001599|2.100116|2.480741|53.358707| |17.607140|8.946593|6.925590|4.677497|3.957118|4.282397|8.032163|0.153654|3.403753|2.810503|2.698871|3.057499|3.746499|2.348895|2.136702|1.878089|2.452680|1.937109|3.001383|2.330417|1.545234|1.425123|1.773629|0.035654|1.305383|1.194637|1.113840|1.114170|1.203560|2.999509|0.500000| |17.602739|8.849336|5.559531|4.201858|3.981084|4.836066|10.095544|0.233451|3.994332|3.126395|2.843189|3.085282|3.625869|2.270323|2.032228|1.795531|2.374321|1.897916|2.953144|2.215013|1.473124|1.378261|1.718071|0.034310|1.268980|1.162056|1.089485|1.087135|1.174155|2.807585|0.300821|0.500000| |17.554533|8.978597|6.461402|4.556728|4.002239|4.458066|8.565189|0.168829|3.561565|2.903154|2.754810|3.091654|3.751423|2.316138|2.113725|1.843358|2.389473|1.880766|2.925136|2.294010|1.511114|1.407505|1.742923|0.034916|1.272520|1.162148|1.092239|1.099300|1.192254|3.009719|0.301739|0.300684|0.500000| |6.921032|8.915594|17.769746|8.939086|5.589234|4.947555|7.858496|0.128468|3.632512|3.150399|3.280141|4.105195|5.292778|3.148603|2.877538|2.416912|3.050442|2.389546|3.793896|2.965954|1.907884|1.720889|2.097622|0.042230|1.525584|1.373809|1.271377|1.282664|1.405097|4.198683|0.202566|0.140266|0.176064|0.500000| |4.099592|5.674513|9.049984|17.755808|8.841077|5.632506|6.879898|0.110942|4.150535|3.933402|4.640362|6.916429|10.110627|5.228627|4.546541|3.483779|4.242468|3.369499|5.697358|4.061424|2.488969|2.197522|2.597502|0.051851|1.879158|1.648837|1.510045|1.528655|1.708854|6.686210|0.110590|0.096566|0.106349|0.216738|0.500000| |3.897924|4.795175|3.979566|4.177092|5.567630|8.839131|9.774937|0.223590|17.730075|8.930395|5.596723|4.878869|4.890773|3.034591|2.511802|2.214510|3.038452|2.575343|4.192672|2.619411|1.727572|1.659131|2.043524|0.039869|1.528179|1.375190|1.292411|1.279338|1.400614|3.249865|0.092446|0.115002|0.097744|0.090708|0.095946|0.500000| |2.748076|3.335429|3.153967|3.621751|4.949750|5.695911|5.752246|0.114817|9.020930|17.738305|8.910524|5.656640|5.673810|3.716738|2.953059|2.638548|3.738350|3.308388|5.493760|3.038413|1.997163|1.956024|2.384615|0.045745|1.796388|1.591315|1.496235|1.474941|1.634554|3.627301|0.068854|0.077203|0.071175|0.074527|0.089662|0.215807|0.500000| |2.536894|3.145401|3.280169|4.124812|5.626526|4.970002|4.978287|0.092214|5.638369|8.893823|17.820212|9.003620|9.663417|6.665762|4.631269|3.956966|5.625557|5.361204|10.370738|4.244476|2.670828|2.590828|3.032159|0.057427|2.264133|1.934556|1.794755|1.783278|2.032703|5.234660|0.065309|0.068119|0.066447|0.078569|0.109678|0.123990|0.216723|0.500000| |2.951338|3.784876|4.689572|6.899870|7.086205|4.728681|5.222311|0.089878|4.014675|4.332051|5.932426|9.226395|26.000185|9.608193|7.810518|4.988986|5.690944|4.512037|8.159855|5.425401|3.098261|2.754170|3.115452|0.061053|2.213452|1.886922|1.733483|1.774862|2.040418|11.559331|0.077712|0.073824|0.079162|0.115596|0.235882|0.091240|0.099923|0.150687|0.500000| |1.883742|2.199368|2.371489|2.818039|3.148884|2.770201|3.191766|0.060251|2.837825|3.381554|4.168969|3.960988|5.960698|5.945998|5.106724|5.929707|12.747441|17.722963|12.782364|5.994341|4.116320|3.957071|4.649172|0.085180|3.812274|3.024604|2.615867|2.486358|2.876808|5.035025|0.051004|0.050471|0.049299|0.060895|0.081866|0.069734|0.091088|0.137057|0.102527|0.500000| |1.757060|2.007921|2.293333|2.683253|2.644283|2.226650|2.718567|0.050525|2.099966|2.285868|2.748368|3.045592|5.312796|4.836025|7.421537|9.421459|8.156549|4.470365|5.589135|26.107117|9.101743|6.071330|5.828520|0.118317|3.625410|2.887647|2.581027|2.800444|3.463552|10.112532|0.048281|0.045490|0.047719|0.062389|0.085293|0.052174|0.059143|0.080838|0.112959|0.102111|0.500000| |1.571444|1.774721|1.972021|2.260979|2.285045|1.990355|2.436531|0.045962|1.927975|2.117534|2.485731|2.621213|4.252317|3.956327|4.839610|7.241993|10.245050|5.083017|5.444112|12.477858|17.629742|8.780040|9.465828|0.192208|6.570932|4.589737|3.614897|3.686442|4.524466|5.457079|0.043483|0.041383|0.042049|0.053322|0.069292|0.048539|0.056056|0.074435|0.083662|0.126620|0.188550|0.500000| |1.494845|1.672856|1.865210|2.114058|2.099844|1.833517|2.272667|0.042923|1.761941|1.909706|2.218483|2.364266|3.841839|3.403672|4.331718|5.798282|6.895157|3.765552|4.403604|12.636529|17.571860|8.842029|9.195799|0.213488|5.116762|3.972686|3.395680|3.780002|4.739883|5.471079|0.041383|0.039191|0.040455|0.051035|0.065177|0.044592|0.050480|0.065581|0.078638|0.093346|0.236905|0.302038|0.500000| |1.412844|1.581559|1.730029|1.963101|2.012579|1.784609|2.188796|0.041690|1.756528|1.941443|2.252089|2.312247|3.680157|3.249924|3.961220|5.174732|6.621746|3.717120|4.313058|9.510120|8.849579|17.634561|12.354221|0.211481|5.613373|4.156278|3.947551|4.786619|7.542186|4.901543|0.038588|0.037356|0.038444|0.046636|0.059099|0.044620|0.052251|0.068512|0.074568|0.094179|0.167312|0.173404|0.216802|0.500000| |1.490170|1.684263|1.833615|2.105944|2.207284|1.955209|2.361444|0.044954|1.949387|2.199062|2.586565|2.600959|4.126593|3.822597|4.472403|6.365113|9.777630|5.111718|5.415263|9.738924|8.816551|17.671111|12.377995|0.182444|7.360582|4.703325|4.187529|4.487238|6.607807|5.010834|0.040583|0.039581|0.040173|0.048808|0.062916|0.049230|0.059537|0.080776|0.080512|0.131484|0.150501|0.207188|0.173625|0.300970|0.500000| |1.334202|1.486781|1.591818|1.789363|1.876682|1.707964|2.089937|0.040282|1.724673|1.927438|2.185872|2.153563|3.252540|2.879599|3.097344|3.955580|6.537668|4.013082|4.301355|5.600902|5.225992|7.017773|12.439653|0.182090|17.614658|8.782481|6.821057|5.800601|7.086284|3.578375|0.036540|0.035814|0.035770|0.042498|0.052531|0.044285|0.053103|0.067417|0.062708|0.117244|0.095624|0.155252|0.121374|0.148831|0.224004|0.500000| |1.390734|1.551093|1.680777|1.891097|1.948218|1.751902|2.155511|0.041279|1.738780|1.918436|2.188334|2.214646|3.401573|3.040739|3.352750|4.416945|7.222680|4.210069|4.475334|6.467004|6.733950|7.144395|12.307271|0.221161|17.659982|8.766663|5.486316|4.876766|5.597985|3.862713|0.038406|0.037120|0.037153|0.045223|0.056269|0.044452|0.052023|0.066230|0.065853|0.119206|0.109071|0.241077|0.155578|0.143150|0.192072|0.302055|0.500000| |1.196300|1.312930|1.396903|1.538477|1.589132|1.467336|1.829893|0.035520|1.474924|1.612014|1.780125|1.767633|2.614361|2.226163|2.353466|2.829859|4.417545|2.890114|3.282059|4.031782|3.679449|4.122653|7.585917|0.145690|8.980502|17.579250|8.787775|5.507103|4.885629|2.828604|0.033058|0.032244|0.032024|0.037678|0.044946|0.038364|0.044453|0.053427|0.050844|0.085251|0.072950|0.113986|0.095076|0.097021|0.113827|0.213536|0.213179|0.500000| |1.185270|1.297954|1.392787|1.531257|1.559336|1.428364|1.791391|0.034638|1.418226|1.536688|1.705100|1.723086|2.585719|2.195329|2.393316|2.896611|4.306524|2.721763|3.136647|4.357133|4.194546|4.594546|9.323018|0.210526|8.865267|17.515371|8.806414|6.758471|5.670828|2.938210|0.032864|0.031765|0.031864|0.037872|0.045183|0.036805|0.041967|0.050712|0.051043|0.077035|0.080070|0.127596|0.115015|0.109293|0.115627|0.173067|0.213677|0.304124|0.500000| |1.125770|1.232924|1.303915|1.434267|1.492445|1.386515|1.726867|0.033656|1.405374|1.543847|1.697928|1.666381|2.453582|2.065714|2.192062|2.592874|3.928674|2.584081|3.000599|3.739359|3.297702|4.122146|7.663097|0.135790|6.766418|8.845421|17.532277|8.840887|6.736098|2.678352|0.030882|0.030396|0.030368|0.035073|0.041671|0.036689|0.042963|0.051402|0.048108|0.074973|0.068533|0.093234|0.085757|0.104214|0.116109|0.199385|0.139007|0.215215|0.173349|0.500000| |1.063417|1.156598|1.225381|1.336742|1.373915|1.277548|1.606810|0.031333|1.284111|1.392900|1.522850|1.512837|2.227832|1.853700|1.980366|2.313862|3.414497|2.245607|2.652712|3.396338|3.022317|3.541912|6.629593|0.132664|5.508501|8.837651|17.596338|8.844737|5.503085|2.465440|0.029331|0.028680|0.028717|0.033213|0.038948|0.033630|0.038537|0.045452|0.044051|0.064326|0.063576|0.086168|0.082201|0.091066|0.094237|0.139387|0.123106|0.209205|0.215225|0.303714|0.500000| |1.075985|1.173175|1.246529|1.365372|1.404402|1.299775|1.629892|0.031718|1.304912|1.420249|1.563314|1.555567|2.312491|1.921325|2.093806|2.442984|3.484418|2.252054|2.690118|3.693982|3.248121|4.131373|7.583721|0.145686|4.894448|5.507000|8.785736|17.580100|8.980038|2.647812|0.029523|0.028920|0.029261|0.033766|0.039901|0.034072|0.039241|0.046887|0.046238|0.062773|0.069909|0.086123|0.089349|0.115818|0.107234|0.130151|0.107601|0.123120|0.138445|0.215147|0.209242|0.500000| |1.107071|1.207357|1.292858|1.416432|1.441302|1.323832|1.665038|0.032266|1.315683|1.423485|1.575077|1.589683|2.388327|1.995252|2.209973|2.615028|3.686918|2.332411|2.770822|4.075884|3.775543|4.593692|9.298035|0.209970|5.662246|6.757017|8.814072|17.516879|8.878716|2.804799|0.030537|0.029636|0.030060|0.035218|0.041742|0.034238|0.038977|0.046884|0.047939|0.064328|0.077422|0.101054|0.108453|0.124900|0.110996|0.132739|0.126623|0.138487|0.196438|0.173398|0.215741|0.304171|0.500000| |1.213969|1.337344|1.440137|1.598982|1.638347|1.488607|1.851684|0.035693|1.479685|1.618973|1.821457|1.838976|2.812444|2.383302|2.716276|3.279123|4.485978|2.746717|3.252416|5.322829|4.871452|7.188327|12.356661|0.224298|5.604775|4.887168|5.483118|8.781236|17.629880|3.445612|0.033243|0.032360|0.033090|0.039002|0.047362|0.038184|0.044203|0.054904|0.056791|0.073589|0.100053|0.116906|0.135119|0.236299|0.164252|0.144929|0.126381|0.107653|0.127416|0.138330|0.123234|0.212564|0.215611|0.500000| 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