Version2.2 2021-02-21T05:12:03Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1nc2c3c4c(c([nH+]c3sc2c(n1)N5CCCCC5)N6CCOCC6)CCCC4 C04785440 RHF 6-31G(d) (6D,7F) c1nc2c3c4c(c([nH+]c3sc2c(n1)N5CCCCC5)N6CCOCC6)CCCC4 C01[X(C22H28N5O1S1)] 165 C1 495 C1CCN(CC1)c1ncnc2c1sc1c2c2CCCCc2c([nH+]1)N1CCOCC1 C1CCN(CC1)c1ncnc2c1sc1c2c2CCCCc2c([nH+]1)N1CCOCC1 C1CCN(CC1)c2ncnc3c2sc4[nH+]c(N5CCOCC5)c6CCCCc6c34 InChIKey=ACNLQMGDYNRAEP-UHFFFAOYSA-O InChI=1S/C22H27N5OS/c1-4-8-26(9-5-1)21-19-18(23-14-24-21)17-15-6-2-3-7-16(15)20(25-22(17)29-19)27-10-12-28-13-11-27/h14H,1-13H2/p+1 InChI=1/C22H27N5OS/c1-4-8-26(9-5-1)21-19-18(23-14-24-21)17-15-6-2-3-7-16(15)20(25-22(17)29-19)27-10-12-28-13-11-27/h14H,1-13H2/p+1/fC22H28N5OS/h25H/q+1 c1nc2c3c4c(c([nH+]c3sc2c(n1)N5CCCCC5)N6CCOCC6)CCCC4 C01[X(C22H28N5O1S1)] 165 C01 495 C1CCN(CC1)c1ncnc2c1sc1c2c2CCCCc2c([nH+]1)N1CCOCC1 C1CCN(CC1)[C]1[N][CH][N][C]2[C]1S[C]1[C]2[C]2[C]([C](N1)N1CCOCC1)CCCC2 [CH]1[N][C]2[C](S[C]3N[C]([C]4CCCC[C]4[C]23)N5CCOCC5)[C]([N]1)N6CCCCC6 InChIKey=ZQSDHGWKOJFISS-UHFFFAOYSA-N InChI=1S/C22H28N5OS/c1-4-8-26(9-5-1)21-19-18(23-14-24-21)17-15-6-2-3-7-16(15)20(25-22(17)29-19)27-10-12-28-13-11-27/h14,25H,1-13H2 InChI=1/C22H28N5OS/c1-4-8-26(9-5-1)21-19-18(23-14-24-21)17-15-6-2-3-7-16(15)20(25-22(17)29-19)27-10-12-28-13-11-27/h14,25H,1-13H2 2981.0745686291 -1593.8538654 1-A 16022.1707 109 386 495 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.11944 -20.67437 -15.81278 -15.73256 -15.67671 -15.66718 -15.66037 -11.50844 -11.48087 -11.44583 -11.42958 -11.41927 -11.41215 -11.39884 -11.39216 -11.39188 -11.39156 -11.39057 -11.38852 -11.38812 -11.35436 -11.35232 -11.34404 -11.33359 -11.32987 -11.32720 -11.30501 -11.29597 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1586.1708 1597.9072 1626.4382 1630.9641 1632.2876 1634.3124 1641.2554 1641.9242 1646.4171 1646.6509 1650.5534 1652.3381 1658.7676 1662.8800 1672.2193 1687.9178 1730.7549 1750.5677 1776.3280 1797.5944 3165.0974 3181.0543 3197.5521 3201.0263 3202.9507 3207.7552 3208.9165 3210.2373 3211.5407 3212.6446 3216.7475 3217.9299 3233.4655 3253.1622 3256.1786 3262.9949 3269.9078 3272.1347 3275.4524 3276.0159 3295.3571 3313.0857 3315.5949 3318.0461 3336.8546 3364.6898 3407.6243 3837.1674 3.9162 4.5521 4.4650 4.3245 3.4365 4.9283 3.3397 3.5012 3.2244 4.3697 3.6146 4.4372 4.5604 4.8085 3.7047 3.0291 2.5658 2.5377 2.5645 4.1196 2.7829 3.5274 3.8142 3.2578 5.0507 5.0768 2.2593 3.3180 2.0218 2.8629 3.9160 3.8497 2.7041 3.4089 2.5385 3.4509 3.9323 3.6904 5.6602 4.3362 3.3231 4.4754 3.6586 2.6528 3.9924 1.7635 4.0901 5.1207 3.8894 5.1120 1.6150 5.8860 3.3543 1.9208 3.0153 1.4201 2.5686 1.7953 3.0621 2.6684 2.7797 1.5054 2.2297 2.9608 1.3441 2.6874 2.3274 2.7321 2.5675 2.0653 1.5643 2.2659 2.3493 2.4007 3.4165 1.6970 2.0801 2.3866 3.8359 2.2390 3.8922 2.3238 1.2472 4.3793 1.4079 2.1335 4.2670 2.5772 2.1463 1.3756 2.0759 1.7628 1.3621 1.5864 1.2401 1.4276 1.2341 1.3081 1.3277 2.4775 1.6235 1.9932 1.2969 1.5460 1.2983 1.5415 1.4281 1.5769 1.4247 1.5411 1.4726 1.6091 1.4597 1.8280 1.6505 1.7452 1.4402 1.4475 2.4640 1.1168 1.3932 1.0967 1.6290 1.0907 1.0874 1.1149 1.1855 1.1038 1.1102 1.1184 1.1087 1.1676 3.3166 7.8580 8.1471 7.8191 2.8714 1.0701 1.0764 1.0729 1.0739 1.0744 1.0631 1.0733 1.0697 1.0706 1.0633 1.0691 1.0647 1.0703 1.1002 1.0964 1.1048 1.0966 1.0956 1.1005 1.0972 1.0951 1.0977 1.0996 1.0891 1.0935 1.0911 1.0942 1.0794 0.0016 0.0030 0.0054 0.0066 0.0081 0.0155 0.0160 0.0231 0.0335 0.0654 0.0604 0.0994 0.1177 0.1502 0.1255 0.1189 0.1091 0.1296 0.1359 0.2417 0.1666 0.2443 0.2764 0.2727 0.4660 0.5042 0.2383 0.3611 0.2411 0.3916 0.5841 0.5988 0.4387 0.6135 0.4643 0.6638 0.7791 0.7780 1.2421 1.0663 0.8952 1.2631 1.0955 0.8373 1.3830 0.6218 1.5566 2.0856 1.6510 2.2149 0.7514 2.7886 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0.5842 0.8452 0.8863 5.0303 7.0169 0.1800 12.7601 9.7011 1.8462 7.1828 2.3426 8.9530 4.9835 6.9454 7.8157 7.9701 43.7112 18.7123 12.7337 27.2898 3.1858 6.6251 24.4674 23.3737 10.8803 20.1490 16.1236 2.3068 6.4600 31.9593 2.1291 28.1496 3.4129 9.5701 26.2233 1.3633 32.5765 9.2816 56.1467 27.6595 17.2811 5.2707 15.9995 39.9881 8.1250 12.7763 27.1698 1.6747 12.3760 60.8994 9.6842 168.1990 58.2674 1.8150 62.4478 32.1710 114.8546 48.3663 13.9139 7.8732 121.4429 15.6775 195.5456 118.7946 52.2208 10.0479 48.3077 28.5367 41.6144 10.6592 16.4520 7.7403 60.4628 2.4206 11.3130 26.4395 8.2941 11.5268 57.0190 11.1873 20.7984 0.5032 54.7162 10.2102 40.8250 82.1730 81.6720 72.1891 9.4635 38.8775 18.9950 236.6584 5.6195 357.5884 6.5670 2.6554 13.0801 15.5665 14.8099 21.8078 12.7697 7.4734 7.0138 41.7274 3.5949 372.3092 545.4755 836.1952 29.3330 23.5678 11.0990 48.6959 16.4198 22.5991 18.7422 1.8745 21.7520 33.5429 53.0030 70.3914 10.6166 48.1993 58.2565 69.4122 35.4633 28.1506 6.5842 38.7656 3.9349 25.5999 28.0517 47.7683 12.0513 11.6374 22.8947 108.5924 0.6060 0.5228 1.2963 2.3954 1.2866 0.5661 0.5227 0.5302 0.2214 0.3283 0.2545 1.8007 3.5545 3.2723 0.8868 1.2930 0.5336 2.3780 3.3861 0.1764 0.7015 0.5435 1.9736 0.4142 3.3616 0.9142 2.0844 1.0335 0.8886 0.9058 0.1737 2.6196 1.8539 0.4901 4.7321 2.6052 3.4098 0.6259 2.1091 9.6284 7.2403 0.6042 8.5709 0.7166 2.5203 1.4563 2.9995 6.5573 9.1940 5.8367 0.6469 0.5046 16.9860 4.2326 2.6501 0.2975 7.7978 2.4044 6.2716 3.2070 2.8944 0.2636 3.0894 4.6931 0.4314 2.6771 11.7723 3.6164 0.5515 5.7963 0.7224 9.2845 5.2065 12.0769 19.9141 3.8821 4.6076 4.3204 15.6857 11.9594 71.8650 5.1899 7.8397 59.1561 4.5169 3.5065 5.4277 9.5969 3.2366 15.2694 22.8808 36.3374 8.9293 67.1151 9.4488 19.9798 15.7522 5.2702 31.9361 49.0092 16.2955 17.3828 1.8187 15.4301 5.2521 3.1558 7.3974 18.9757 5.5609 11.4806 1.2657 10.9345 18.3786 58.0480 22.3810 4.9579 5.0643 3.9174 36.3280 19.1099 54.9533 6.3128 9.7657 18.9889 19.6445 4.7538 2.7056 5.5005 9.0867 4.6065 8.3087 7.0692 37.1284 63.5119 59.8694 112.6278 142.0309 63.4264 63.4031 17.0726 215.2935 81.3575 38.3383 136.9472 48.0136 72.1707 67.1664 57.0788 49.5622 61.6262 116.6110 199.0315 83.5452 137.1830 168.0154 78.1875 37.9028 62.5074 123.7148 175.6107 98.3595 47.1876 38.0334 156.3271 22.3762 0.5988 0.7484 0.5925 0.6460 0.6682 0.7289 0.7399 0.6521 0.5908 0.6830 0.2521 0.3661 0.3565 0.1432 0.2946 0.7184 0.7420 0.5761 0.3157 0.5086 0.2150 0.7497 0.6031 0.7432 0.1669 0.4245 0.1868 0.3236 0.1486 0.7451 0.5809 0.6492 0.6171 0.2667 0.2413 0.3665 0.3396 0.6982 0.2000 0.1670 0.1458 0.6854 0.1821 0.6557 0.2355 0.6603 0.3643 0.4000 0.1509 0.1331 0.6433 0.7008 0.3958 0.2984 0.7155 0.2989 0.1571 0.4737 0.6566 0.1321 0.2827 0.7489 0.1843 0.7491 0.7328 0.7219 0.7107 0.7471 0.7480 0.7500 0.5952 0.5538 0.7425 0.7493 0.2276 0.7189 0.2937 0.4304 0.2344 0.4924 0.2519 0.7494 0.3215 0.2357 0.3496 0.5436 0.3603 0.5124 0.3003 0.7468 0.3245 0.4665 0.7296 0.2080 0.4510 0.6568 0.6357 0.3978 0.5181 0.3555 0.3099 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0.6599 0.4024 0.8567 0.4866 0.3815 0.5181 0.7044 0.5298 0.6776 0.4619 0.8550 0.4900 0.6362 0.8436 0.3443 0.6216 0.7928 0.7773 0.5692 0.6825 0.5245 0.4732 0.6785 0.8382 0.8134 0.7258 0.7101 0.2186 0.7450 0.7341 0.7266 0.8374 0.7249 0.5174 0.4796 0.6269 0.5613 0.6108 0.8210 0.3946 0.8387 0.7810 0.8229 0.7376 0.8570 0.7977 0.7729 0.7762 0.8393 0.8145 0.6106 0.8568 0.8543 0.6636 0.5940 0.5522 0.4959 0.7252 0.3197 0.4355 0.7238 0.3642 0.3180 0.5757 0.2782 0.5997 0.1574 0.3160 0.0962 0.6362 0.2574 0.5717 0.4188 0.8430 0.5295 0.4570 0.8014 0.2980 0.6157 0.8560 0.3260 0.4748 0.5057 0.4697 0.4490 0.3360 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 7 6 6 6 6 6 7 1 6 16 6 6 7 7 6 6 6 6 6 7 6 6 8 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 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 31.97207 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 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 6190.3305 22422.1383 27829.2140 0.99990 0.01412 -0.00013 -0.01412 0.99990 -0.00011 0.00013 0.00011 1.00000 1 0.01399 0.00386 0.00311 0.29154 0.08049 0.06485 37.80 47.84 64.95 73.10 91.00 105.20 129.70 152.25 191.16 229.27 242.40 280.53 301.10 331.32 344.95 371.31 386.51 423.65 431.43 454.04 458.58 493.30 504.56 542.35 569.37 590.71 608.76 618.40 647.32 693.23 723.90 739.25 754.96 795.17 801.68 822.10 834.33 860.64 878.08 929.51 972.88 995.79 1025.71 1053.05 1103.23 1113.00 1156.36 1196.25 1221.23 1233.82 1278.55 1290.18 1310.15 1328.15 1334.30 1347.90 1353.32 1366.01 1403.48 1419.53 1421.66 1443.83 1465.58 1497.72 1518.42 1536.02 1600.99 1604.70 1618.18 1620.99 1625.37 1666.38 1672.77 1677.72 1704.56 1723.63 1742.21 1757.67 1778.96 1802.43 1810.16 1820.50 1834.38 1840.30 1853.18 1860.83 1877.34 1902.34 1930.81 1947.02 1960.68 1973.52 2014.17 2015.03 2025.20 2037.00 2043.31 2046.17 2058.72 2090.32 2100.80 2104.71 2146.21 2154.87 2164.81 2172.59 2188.50 2201.43 2205.37 2207.00 2210.00 2218.74 2226.99 2235.97 2243.12 2250.36 2270.20 2282.15 2299.03 2340.08 2346.59 2348.50 2351.41 2361.40 2362.36 2368.83 2369.16 2374.78 2377.35 2386.60 2392.51 2405.95 2428.54 2490.17 2518.68 2555.74 2586.34 4553.87 4576.83 4600.56 4605.56 4608.33 4615.24 4616.92 4618.82 4620.69 4622.28 4628.18 4629.88 4652.24 4680.57 4684.91 4694.72 4704.67 4707.87 4712.65 4713.46 4741.28 4766.79 4770.40 4773.93 4800.99 4841.04 4902.81 5520.83 0.525205 0.547884 0.548828 0.472146 -1593.328660 -1593.305982 -1593.305038 -1593.381719 2.571893D-04 MUNgauss RevisionA2.1 retrievium 21-Feb-2021 DUDE c1nc2c3c4c(c([nH+]c3sc2c(n1)N5CCCCC5)N6CCOCC6)CCCC4 C04785440 RHF 6-31G(d) (6D,10F) C1 410.201458 |X|Y|Z| 110.756999 57.998286 19.779767 50.273120 29 6 7 8 16 22 5 1 1 |36.858105| |14.529858|53.358707| |8.580605|19.529233|36.858105| |5.270139|10.473947|13.002044|36.858105| |4.278306|8.208030|7.248797|13.414968|36.858105| |3.278629|5.720517|4.954135|7.842384|13.665156|36.858105| |2.982233|4.976922|4.512209|6.860232|7.884533|13.539074|36.858105| |3.277092|5.408404|5.293430|8.074981|6.947919|8.023149|14.130082|53.358707| |2.918590|4.624082|4.385207|5.856137|5.094189|5.818215|9.417140|25.967102|0.500000| |4.219688|7.231345|8.214700|13.938679|7.940897|6.896963|8.050823|19.251395|0.261088|36.858105| |4.362212|6.641924|7.255732|7.241134|4.805667|4.242021|4.789459|9.550210|0.186400|11.011936|388.023441| |7.257337|10.889710|13.782270|8.057742|5.080339|4.004352|4.000886|6.849764|0.124235|7.763287|76.881641|36.858105| |8.345020|9.353014|7.946441|5.176440|3.813621|3.120514|3.086413|5.003360|0.094636|4.934048|47.200470|13.474021|36.858105| |14.426466|10.986446|7.130310|4.614107|3.636351|2.927250|2.786211|4.302434|0.080440|4.070101|33.627310|8.150468|14.414980|53.358707| |5.401941|6.269985|5.188373|3.962071|3.078697|2.651532|2.701684|4.386056|0.086471|4.065866|41.287591|7.790845|13.962890|11.189871|53.358707| |4.740157|5.235968|3.969537|3.140573|2.577118|2.248754|2.261187|3.543693|0.070159|3.138528|28.764740|5.090592|7.861321|9.580235|17.657153|36.858105| |3.481779|4.101712|3.172426|2.671217|2.240264|2.012973|2.061988|3.227086|0.065366|2.759956|25.295832|3.960384|5.176125|6.209750|10.583660|12.480861|36.858105| |3.016943|3.687356|2.920364|2.535605|2.133877|1.948836|2.029301|3.197692|0.065952|2.689109|25.039430|3.659212|4.467421|5.170209|8.935985|7.526679|12.463532|36.858105| |3.203310|4.045515|3.359297|2.946490|2.416883|2.212710|2.349153|3.811018|0.079603|3.243454|32.513832|4.431246|5.141840|5.448822|10.526820|6.520461|7.595053|12.461877|36.858105| |4.116772|5.124109|4.344200|3.600672|2.847155|2.527874|2.642866|4.334458|0.088030|3.883823|40.576777|6.197253|7.773522|7.377206|17.649136|7.799665|6.584830|7.587598|12.497912|36.858105| |2.457385|3.942564|3.415567|4.599521|5.154738|7.778720|13.921943|11.189914|0.214269|5.321129|26.966817|3.160583|2.561313|3.174682|3.152750|1.980475|1.844296|1.833928|2.105428|2.302950|53.358707| |2.243849|3.494382|3.025763|3.834853|3.947413|5.109810|7.777720|9.400140|0.221596|4.669882|26.237738|2.942350|2.430598|2.973074|3.077138|1.941240|1.846060|1.851899|2.135046|2.273515|17.685090|36.858105| |1.925001|2.951337|2.467149|2.999075|3.168083|3.995548|5.157310|6.106858|0.135407|3.423973|20.295071|2.390716|2.041245|2.545796|2.612078|1.686101|1.618718|1.623075|1.836063|1.927118|10.667475|12.500297|36.858105| |1.809154|2.768187|2.285151|2.753212|2.954957|3.720661|4.582302|5.320333|0.115438|3.065727|18.276233|2.200284|1.895224|2.383294|2.425385|1.573421|1.505854|1.519119|1.712612|1.805391|9.280624|7.936802|13.675864|73.516695| |1.901661|2.950268|2.417374|2.964581|3.325324|4.371036|5.150039|5.516420|0.113119|3.194275|18.372220|2.269025|1.942140|2.467048|2.447811|1.586230|1.498809|1.503035|1.689411|1.809430|10.610868|6.728197|8.205900|24.254172|36.858105| |2.205594|3.493424|2.931546|3.761869|4.288015|6.047597|7.773088|7.527489|0.148811|4.110770|22.276456|2.714004|2.260549|2.843858|2.805866|1.786106|1.665984|1.671228|1.903384|2.077862|17.560811|7.805804|6.758216|14.141870|12.537689|36.858105| |2.753466|4.619828|3.692715|4.967605|7.503015|12.518189|7.524568|6.892952|0.116275|4.451804|22.552308|3.075023|2.540790|3.338885|3.003366|1.929131|1.746731|1.690076|1.881269|2.108515|8.856032|4.433834|3.880534|6.695399|4.718105|5.965797|36.858105| |2.852114|4.789662|3.588511|4.483856|6.657039|7.531781|5.016662|5.346533|0.092240|3.776413|20.218651|2.919058|2.479665|3.366716|2.905712|1.900440|1.708153|1.628459|1.781277|1.998787|5.932711|3.366304|3.052654|5.232233|3.496460|4.042681|12.482746|36.858105| |3.338078|5.789324|4.104624|4.924353|7.443443|6.587470|4.432182|5.076615|0.087078|3.842518|20.876863|3.189492|2.723979|3.792819|3.121361|2.040635|1.798626|1.706588|1.860941|2.129542|5.014579|2.921965|2.601107|4.506616|2.949853|3.484666|7.670436|12.515344|36.858105| |4.468273|8.652752|6.089938|7.535684|12.592353|7.507452|4.988172|6.095980|0.100764|5.045022|26.310013|4.254461|3.483034|4.855183|3.820847|2.438930|2.101023|1.973954|2.174021|2.550958|5.201631|3.071013|2.622428|4.439178|2.820168|3.426187|6.412333|7.603428|12.478848|36.858105| |17.735253|12.750571|5.966207|4.237001|3.711486|2.921530|2.631555|3.828501|0.070269|3.459323|24.904765|5.150273|5.896974|12.750639|5.960066|4.175546|3.155895|2.726707|2.806964|3.469106|3.013387|2.023810|1.766755|2.971806|1.761902|2.016474|2.545103|2.701613|3.194758|4.099737|0.500000| |4.569996|4.977791|3.660776|2.914588|2.434440|2.125593|2.119609|3.275883|0.064728|2.868573|25.345784|4.486753|6.624077|8.953436|12.314304|17.507240|8.797938|6.718785|5.696206|6.996796|2.538951|1.814826|1.587081|2.660509|1.516633|1.706494|1.841031|1.819899|1.974492|2.340144|0.115776|0.500000| |5.254550|5.569903|4.050134|3.161111|2.621182|2.265401|2.244144|3.470803|0.067908|3.075550|26.996635|4.938348|7.494733|10.673928|12.464319|17.677565|8.846416|5.500157|4.900668|5.668155|2.667412|1.910589|1.667148|2.756452|1.568890|1.760010|1.955792|1.955845|2.105738|2.526656|0.131383|0.303341|0.500000| |3.154586|3.694635|2.780093|2.365777|2.027576|1.829954|1.858935|2.859127|0.057782|2.408595|21.151884|3.320524|4.225198|5.445564|7.671991|8.915530|17.553030|8.809001|5.513954|4.928132|2.282237|1.675554|1.486809|2.470149|1.384931|1.527057|1.610790|1.588924|1.674454|1.933138|0.082049|0.215632|0.212900|0.500000| |3.373780|4.064289|3.189183|2.725953|2.283764|2.064692|2.130061|3.350211|0.068166|2.853129|26.308053|3.978315|4.959591|5.848344|9.505778|8.902813|17.531592|8.846252|6.794939|5.739667|2.597879|1.929273|1.689471|2.766168|1.539475|1.704991|1.788438|1.746674|1.818279|2.123530|0.084444|0.173685|0.217500|0.302755|0.500000| |2.913906|3.533900|2.748284|2.383401|2.028404|1.850410|1.911009|2.975363|0.061061|2.489573|22.485487|3.361210|4.111455|4.950048|7.764422|6.740214|8.848933|17.510416|8.862775|6.799201|2.356673|1.734088|1.528893|2.568356|1.437013|1.596984|1.616342|1.562444|1.649937|1.897804|0.074251|0.196091|0.138747|0.215469|0.173707|0.500000| |2.607308|3.241846|2.562082|2.281415|1.950406|1.806813|1.893025|2.961703|0.061697|2.437202|22.181546|3.125226|3.640739|4.312678|6.696959|5.489650|8.814221|17.563868|8.818316|5.515272|2.359874|1.770854|1.566424|2.603191|1.438171|1.583333|1.581588|1.522148|1.579666|1.804973|0.066304|0.138128|0.123437|0.209648|0.215166|0.303378|0.500000| |2.818870|3.628202|3.004304|2.714028|2.264598|2.105378|2.253904|3.632755|0.076925|3.011511|29.134118|3.817995|4.198444|4.618669|7.644656|4.892930|5.511581|8.796443|17.548327|8.907321|2.787048|2.087779|1.805168|3.019277|1.668910|1.874958|1.802477|1.693664|1.763736|2.034115|0.069510|0.127978|0.107864|0.123315|0.138958|0.215909|0.209210|0.500000| |3.105470|4.007693|3.393784|3.043540|2.486054|2.298749|2.477511|4.076633|0.086355|3.444731|35.615415|4.494844|4.929695|5.167551|9.464804|5.698609|6.787627|8.832536|17.526112|8.893030|3.030756|2.295002|1.961568|3.210715|1.764817|1.983002|1.944567|1.830863|1.887537|2.204690|0.075237|0.131524|0.128159|0.138953|0.198474|0.173713|0.214893|0.302134|0.500000| |4.048752|5.338397|4.794853|4.105699|3.165248|2.823993|3.011518|5.094040|0.104286|4.639566|52.599256|7.065995|7.316692|6.808698|12.319561|5.641882|4.904952|5.518348|8.844856|17.655831|3.532494|2.556628|2.126626|3.540831|1.996661|2.328986|2.307720|2.146438|2.278898|2.747367|0.093373|0.143470|0.126877|0.108034|0.127695|0.140032|0.123534|0.214387|0.214854|0.500000| |3.982327|4.866179|3.946937|3.274823|2.659105|2.359287|2.430222|3.884514|0.078340|3.416630|32.604325|5.204297|6.567492|7.034547|12.400742|7.095347|5.818548|6.855483|8.848097|17.484421|2.903127|2.083955|1.787731|3.016059|1.712263|1.960942|1.996064|1.904669|2.052758|2.435818|0.095650|0.210995|0.144677|0.130355|0.133430|0.201229|0.139926|0.215463|0.173883|0.304403|0.500000| |2.200116|3.386110|2.953453|3.658093|3.613199|4.436343|6.538566|9.053833|0.241459|4.593767|27.189903|2.953340|2.449011|2.957927|3.145568|1.971863|1.887046|1.923209|2.246780|2.378276|12.213182|17.466411|8.902278|12.596263|5.824610|6.905572|3.782921|2.952708|2.662617|2.833650|0.054934|0.051337|0.053265|0.047387|0.054546|0.050067|0.051160|0.061800|0.067108|0.075219|0.060532|0.500000| |2.349820|3.649077|3.186969|4.012402|4.005713|4.966877|7.268475|9.777913|0.231127|4.990341|28.440463|3.132768|2.577337|3.130847|3.266954|2.056095|1.962897|1.951279|2.249318|2.380279|12.388681|17.584092|8.898763|10.196728|5.035663|5.650988|4.195414|3.324041|2.890008|3.107003|0.058570|0.052780|0.056511|0.049298|0.057666|0.050244|0.051913|0.060389|0.068142|0.073962|0.059804|0.298492|0.500000| |1.805296|2.727719|2.272703|2.690930|2.765539|3.335147|4.190877|5.326999|0.121650|3.093994|19.198029|2.245821|1.943657|2.415620|2.524573|1.638998|1.592662|1.606024|1.814152|1.874680|7.696725|8.874586|17.631751|16.922257|5.890723|5.031008|3.199908|2.623500|2.285060|2.325245|0.046113|0.042781|0.044879|0.040687|0.046341|0.041916|0.043389|0.049772|0.054149|0.057213|0.048208|0.218503|0.211150|0.500000| |1.914337|2.941843|2.428059|2.945190|3.183834|4.033019|4.913562|5.643751|0.119284|3.262591|19.192505|2.319443|1.990456|2.510076|2.531292|1.646656|1.576978|1.564319|1.751086|1.840669|9.549334|8.873035|17.523009|16.543427|7.328567|5.904775|4.106272|3.277500|2.705016|2.681963|0.049090|0.043002|0.045627|0.040407|0.045852|0.040920|0.041938|0.047462|0.051930|0.055868|0.047477|0.174272|0.218201|0.300245|0.500000| |1.773154|2.727399|2.207829|2.649965|2.951422|3.724374|4.188138|4.685026|0.096239|2.815633|16.601349|2.079907|1.802983|2.303657|2.283992|1.489869|1.409793|1.420279|1.589384|1.699230|7.669489|5.022873|5.894566|16.915037|17.632090|8.887096|4.059741|3.139960|2.722762|2.573427|0.045936|0.039841|0.040833|0.036335|0.040002|0.037950|0.037799|0.043882|0.045788|0.051902|0.045061|0.130895|0.110308|0.132320|0.148307|0.500000| |1.887118|2.934576|2.373497|2.903196|3.338696|4.416704|4.884390|5.136117|0.102451|3.047070|17.454227|2.199647|1.891866|2.427797|2.372389|1.548051|1.460104|1.450838|1.616361|1.731412|9.449650|5.856991|7.314107|16.542023|17.517919|8.854404|5.169409|3.859920|3.113134|2.895093|0.048867|0.041065|0.042864|0.037615|0.041768|0.038504|0.038577|0.044059|0.046926|0.052602|0.045511|0.133858|0.132079|0.148295|0.219828|0.300290|0.500000| |2.279784|3.652860|3.012892|3.882517|4.688644|6.768059|7.278767|6.881414|0.128463|3.999812|21.397269|2.713467|2.265405|2.891978|2.776542|1.774350|1.638226|1.633637|1.847319|2.039746|12.305039|5.651013|5.038942|10.189012|8.863982|17.697000|7.414547|4.726997|4.064279|3.835333|0.058246|0.047386|0.048780|0.041858|0.046309|0.043612|0.042786|0.050382|0.052961|0.063169|0.053951|0.141256|0.126627|0.110323|0.132342|0.210576|0.215301|0.500000| |2.168186|3.396942|2.872199|3.610267|3.909349|5.092131|6.609038|7.331177|0.152844|4.055757|22.741448|2.720177|2.272544|2.831026|2.849508|1.805032|1.689101|1.715827|1.972024|2.150771|12.347995|6.995524|5.875709|12.632799|8.888859|17.515016|4.705339|3.423370|3.110809|3.138336|0.054876|0.048095|0.048914|0.042897|0.047773|0.045684|0.045150|0.054539|0.056850|0.067637|0.056582|0.204119|0.142208|0.131539|0.135113|0.217344|0.173828|0.301942|0.500000| |2.561258|4.230363|3.344278|4.338542|6.111094|8.851869|6.340531|6.104165|0.106383|3.955767|20.745538|2.831513|2.372069|3.124785|2.828935|1.824519|1.655130|1.616376|1.798604|2.015447|8.056552|4.086854|3.675854|6.722028|4.970298|6.393987|17.544585|8.952210|6.902684|5.519589|0.066275|0.048844|0.051012|0.042529|0.046707|0.043260|0.042044|0.048310|0.051220|0.061378|0.053586|0.100358|0.103393|0.084620|0.105119|0.124230|0.147586|0.255434|0.141558|0.500000| |2.471046|4.036597|3.246179|4.242584|5.707422|8.932772|7.203489|6.577789|0.115591|4.057874|21.195624|2.804353|2.343575|3.055634|2.820743|1.822842|1.673707|1.623865|1.804683|1.989603|10.026122|5.029409|4.603494|7.788796|5.582450|6.529483|17.585798|8.810156|5.546176|4.866425|0.063631|0.048097|0.051299|0.042944|0.047930|0.042965|0.042544|0.048157|0.052248|0.060315|0.052048|0.113326|0.131226|0.102136|0.142322|0.126755|0.184207|0.208219|0.134612|0.303510|0.500000| |2.485808|4.043154|2.990591|3.583927|4.867545|5.513957|4.114310|4.482498|0.079885|3.133126|17.464982|2.506279|2.177539|2.970815|2.593148|1.717789|1.557577|1.490685|1.618727|1.797654|5.209692|3.041829|2.874630|5.038709|3.399883|3.738946|8.893803|17.576453|8.811984|5.513878|0.066429|0.045951|0.049042|0.040520|0.044158|0.039893|0.038915|0.043000|0.046101|0.053300|0.047896|0.074586|0.082424|0.069013|0.086519|0.086672|0.106733|0.122067|0.088145|0.220741|0.210867|0.500000| |2.911618|4.857630|3.627438|4.454223|6.253714|6.694414|4.772873|5.272087|0.091394|3.775099|20.472054|2.963943|2.528524|3.440692|2.963373|1.947004|1.754702|1.656463|1.803057|2.010713|5.640837|3.335774|3.028659|5.029119|3.244068|3.654201|8.825483|17.523736|8.840691|6.980582|0.076643|0.051330|0.056187|0.045363|0.050269|0.043870|0.043102|0.047273|0.051857|0.059552|0.052785|0.080395|0.094733|0.073049|0.092027|0.079985|0.100043|0.112435|0.086628|0.174589|0.214918|0.303053|0.500000| |3.094353|5.251387|3.765850|4.473035|6.389295|6.009356|4.229058|4.837260|0.084101|3.605514|19.855504|2.998320|2.577879|3.569789|2.984355|1.950987|1.724066|1.654659|1.809258|2.072747|4.900921|2.835346|2.540927|4.517334|3.006625|3.587948|7.079675|8.884650|17.528768|8.830154|0.082458|0.052957|0.055324|0.044639|0.048050|0.044747|0.042550|0.048073|0.050617|0.061918|0.056075|0.072900|0.076122|0.061977|0.072328|0.078691|0.086894|0.120206|0.090210|0.209803|0.142551|0.211289|0.173650|0.500000| |3.239205|5.435887|3.669336|4.100072|5.517722|4.858664|3.576954|4.259751|0.074864|3.267891|18.635842|2.902388|2.559682|3.649701|2.950438|1.965060|1.732069|1.631067|1.754345|1.996088|4.183921|2.534159|2.300741|3.985316|2.564129|2.926409|5.537844|8.800553|17.580561|8.914855|0.088968|0.053060|0.056854|0.045178|0.048564|0.043950|0.042014|0.046089|0.049255|0.058490|0.053765|0.064613|0.070291|0.056971|0.066806|0.066521|0.075493|0.092603|0.073559|0.142322|0.123395|0.212805|0.209542|0.303827|0.500000| |4.893742|9.471052|6.186357|6.857490|9.075903|6.006528|4.376051|5.574982|0.093954|4.718591|25.860667|4.318311|3.620729|5.177997|3.939483|2.546908|2.184549|2.014548|2.191989|2.557270|4.683309|2.876966|2.479388|4.127428|2.564807|3.022973|5.268065|6.531071|8.823042|17.548066|0.126358|0.067208|0.074797|0.056001|0.061817|0.053488|0.051188|0.056314|0.062069|0.075203|0.067315|0.073481|0.082962|0.061821|0.071189|0.064843|0.073729|0.091183|0.077077|0.123432|0.120163|0.137341|0.193589|0.174395|0.223286|0.500000| 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