Version2.0 2020-07-20T12:14:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 17-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc(cc1)S(=O)(=O)[C@@H]2[C@H]3[NH+]=C(c4ccccc4N3N=N2)NCCC5=c6ccccc6=[NH+]C5 C63493676 RHF 6-31G(d) (6D,7F) CCc1ccc(cc1)S(=O)(=O)[C@@H]2[C@H]3[NH+]=C(c4ccccc4N3N=N2)NCCC5=c6ccccc6=[NH+]C5 C01[X(C27H28N6O2S1)] 186 C1 600 CCc1ccc(cc1)S(=O)(=O)[C@H]1N=NN2[C@@H]1[NH+]=C(NCCC1=c3ccccc3=[NH+]C1)c1c2cccc1 CCc1ccc(cc1)S(=O)(=O)[C@H]1N=NN2[C@@H]1[NH+]=C(NCCC1=c3ccccc3=[NH+]C1)c1c2cccc1 CCc1ccc(cc1)[S](=O)(=O)[C@H]2N=NN3[C@@H]2[NH+]=C(NCCC4=C5C=CC=CC5=[NH+]C4)c6ccccc36 InChIKey=LFHNYMUECUHHIH-RRPNLBNLSA-P InChI=1S/C27H26N6O2S/c1-2-18-11-13-20(14-12-18)36(34,35)27-26-30-25(22-8-4-6-10-24(22)33(26)32-31-27)28-16-15-19-17-29-23-9-5-3-7-21(19)23/h3-14,26-27H,2,15-17H2,1H3,(H,28,30)/p+2/t26-,27+/m0/s1 InChI=1/C27H26N6O2S/c1-2-18-11-13-20(14-12-18)36(34,35)27-26-30-25(22-8-4-6-10-24(22)33(26)32-31-27)28-16-15-19-17-29-23-9-5-3-7-21(19)23/h3-14,26-27H,2,15-17H2,1H3,(H,28,30)/p+2/t26-,27+/m0/s1/fC27H28N6O2S/h28-30H/q+2 CCc1ccc(cc1)S(=O)(=O)[C@@H]2[C@H]3[NH+]=C(c4ccccc4N3N=N2)NCCC5=c6ccccc6=[NH+]C5 C01[X(C27H28N6O2S1)] 186 C01 600 CCc1ccc(cc1)S(=O)(=O)[C@H]1N=NN2[C@@H]1[NH+]=C(NCCC1=c3ccccc3=[NH+]C1)c1c2cccc1 CC[C]1[CH][CH][C]([CH][CH]1)[S@]([O])(=O)[C@H]1N=NN2[C@@H]1[NH][C]([NH]CCC1=[C]3[CH]=[CH][CH]=[CH][C]3[NH]C1)[C]1[C]2[CH][CH][CH][CH]1 CC[C]1[CH][CH][C]([CH][CH]1)[S]([O])(=O)[C@H]2N=NN3[C]4[CH][CH][CH][CH][C]4[C](NCCC5=C6C=CC=C[C]6NC5)N[C@H]23 InChIKey=VZSZRBQHHICSMK-RRPNLBNLSA-N InChI=1S/C27H28N6O2S/c1-2-18-11-13-20(14-12-18)36(34,35)27-26-30-25(22-8-4-6-10-24(22)33(26)32-31-27)28-16-15-19-17-29-23-9-5-3-7-21(19)23/h3-14,26-30H,2,15-17H2,1H3/t26-,27+/m0/s1 InChI=1/C27H28N6O2S/c1-2-18-11-13-20(14-12-18)36(34,35)27-26-30-25(22-8-4-6-10-24(22)33(26)32-31-27)28-16-15-19-17-29-23-9-5-3-7-21(19)23/h3-14,26-30H,2,15-17H2,1H3/t26-,27+/m0/s1 3819.4849319170 -1912.0739275 1-A 27346.2496 131 469 600 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.35854 -20.72564 -20.71891 -15.87724 -15.86743 -15.86007 -15.85621 -15.83495 -15.81632 -11.61814 -11.57384 -11.54127 -11.54113 -11.53366 -11.53199 -11.51688 -11.50193 -11.50160 -11.49943 -11.49309 -11.48475 -11.46848 -11.46842 -11.46715 -11.46165 -11.44706 -11.42859 -11.42634 -11.41744 -11.40569 -11.40167 -11.39614 -11.37838 -11.37530 -11.35229 -11.32956 -9.33491 -7.02093 -7.02005 -7.01965 -1.67041 -1.63392 -1.58766 -1.57226 -1.51661 -1.49991 -1.44719 -1.39172 -1.37035 -1.35837 -1.32361 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 8.1857 17.3469 17.9046 24.7686 28.4504 31.7928 46.0385 49.1107 57.6495 66.2996 97.8742 103.9970 113.0534 131.1291 151.8171 156.6224 175.0574 190.2058 200.0436 220.3046 227.4680 240.6089 248.4134 258.9994 286.1715 289.6679 295.6622 298.6015 352.5561 378.5405 401.6873 412.4353 438.1758 441.9844 449.9516 458.3182 475.9917 493.4210 500.1812 517.6706 529.8449 538.0473 551.4549 568.4275 568.5429 579.0934 585.7920 593.2506 619.7990 635.2096 644.1063 664.4979 666.5781 690.6573 710.5323 729.2885 754.4474 762.2351 770.1917 785.4949 804.8693 820.0394 828.5854 836.3852 856.5601 857.4429 862.8494 864.3053 868.6015 908.1457 941.8113 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3378.1744 3378.7362 3384.3502 3396.2161 3398.2543 3402.6703 3407.6906 3413.6156 3414.6026 3415.0383 3421.0527 3423.9227 3830.2852 3847.8635 3878.7396 5.0293 4.7107 5.3323 5.2674 3.3854 5.0668 4.8586 3.4376 4.3836 5.8306 4.8707 4.5291 3.7164 4.4078 5.2028 5.0140 3.9945 3.6628 3.0599 5.6049 4.3538 1.2914 4.4602 5.8571 3.8341 4.1006 7.2423 3.8523 3.9287 3.1357 4.3496 4.3520 5.8013 3.6904 2.9893 3.4043 5.3611 3.9959 4.1590 5.9895 2.4252 1.5150 3.7066 3.3383 3.1093 5.1674 3.2869 6.2984 2.0954 2.1573 1.3312 3.1912 4.5488 6.8865 6.4210 6.5616 5.4977 4.3742 5.0499 4.7260 3.8001 5.9397 4.2341 2.7169 1.3992 1.1518 1.2873 4.8429 1.7730 4.9468 1.5727 1.5000 1.8599 4.7402 1.9133 1.4074 5.0645 2.0828 2.4036 2.9782 2.3155 1.3763 1.3473 4.3262 3.6755 3.4162 1.4545 2.8379 1.5225 3.4908 3.0089 1.6373 2.3115 1.4044 1.5700 3.6147 2.1702 2.0284 3.8297 2.6033 1.7179 4.7599 2.4984 2.4094 1.7935 1.4475 2.1299 1.1593 1.3766 1.1630 2.2038 2.9192 1.5709 1.8348 2.3106 1.3786 1.4751 1.2736 2.1670 2.6002 2.0289 1.8485 2.5626 1.1530 1.4716 1.3065 1.4798 1.8529 1.7055 1.4209 2.0307 1.9083 1.2207 2.4549 2.4964 1.5392 1.5574 1.4072 1.8684 1.0566 1.3915 1.0413 1.9214 2.4929 1.1019 1.2023 2.1159 2.1913 3.6173 4.6991 5.8515 2.4190 4.4957 4.5751 5.0187 5.3828 6.2923 13.0701 1.0355 1.0619 1.0617 1.0606 1.0597 1.0865 1.1056 1.1068 1.0866 1.1058 1.1049 1.1036 1.1077 1.0903 1.0911 1.0918 1.0912 1.0923 1.0907 1.0947 1.0987 1.0954 1.0966 1.0998 1.0971 1.0794 1.0823 1.0786 0.0002 0.0008 0.0010 0.0019 0.0016 0.0030 0.0061 0.0049 0.0086 0.0151 0.0275 0.0289 0.0280 0.0447 0.0707 0.0725 0.0721 0.0781 0.0721 0.1603 0.1327 0.0440 0.1622 0.2315 0.1850 0.2027 0.3730 0.2024 0.2877 0.2647 0.4135 0.4362 0.6562 0.4248 0.3566 0.4213 0.7157 0.5732 0.6131 0.9457 0.4011 0.2584 0.6641 0.6355 0.5922 1.0210 0.6646 1.3060 0.4743 0.5129 0.3254 0.8302 1.1908 1.9354 1.9099 2.0562 1.8437 1.4974 1.7649 1.7180 1.4504 2.3533 1.7127 1.1198 0.6048 0.4989 0.5647 2.1315 0.7881 2.4037 0.8219 0.7994 0.9935 2.5418 1.0292 0.8045 3.1567 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14.1639 0.1679 0.7963 4.4042 37.6066 3.3102 9.4066 20.0457 74.9801 31.9058 4.6226 7.0229 6.5536 28.9546 21.4866 54.7602 31.9983 13.5397 65.0617 87.2566 0.9274 56.0927 194.8172 28.7270 4.0991 17.6338 30.8920 4.5021 120.1957 11.6956 71.7170 98.9946 0.2005 15.5921 59.9914 16.4010 6.5795 34.6465 12.8238 14.2647 3.1617 13.7294 11.6903 9.4807 1.2923 2.1994 9.4494 5.2905 2.6058 0.4580 33.7721 3.6500 70.5295 5.4267 15.2955 6.6210 44.0573 4.8767 4.2274 13.0142 2.9655 6.0130 65.5699 28.1026 31.6976 12.7004 69.5621 1.6671 272.3709 34.0479 42.5691 124.3912 50.5044 33.9748 12.8240 6.2436 1.9968 2.8159 15.6699 19.0313 119.7582 34.6079 9.4106 23.2304 1.8166 88.6293 92.5032 127.7688 21.6892 151.4206 15.2427 8.4030 0.7826 3.7436 26.1660 53.6163 46.0853 49.6875 46.2479 1.9036 29.8107 162.6837 9.1693 40.3227 5.9090 2.9554 4.3883 14.7971 10.6051 13.5582 213.8581 3.5555 111.0178 3.4504 199.1328 210.6172 20.7326 11.7811 414.9906 535.5342 229.8326 115.0780 619.8632 342.9470 81.5912 30.0359 0.8981 22.0877 3.1728 15.2500 4.1211 0.6557 0.7833 0.3768 0.7760 42.4685 38.5691 11.3870 10.1320 6.0993 4.8325 0.8184 2.1610 0.7312 1.6830 0.7453 0.4486 1.0495 1.1573 2.0304 148.8543 245.3849 77.8246 9.0304 3.8680 1.7647 2.0461 3.2467 1.3994 2.0897 1.8198 3.8007 4.0773 2.7506 2.5595 3.0247 2.0584 0.5150 1.4698 0.1734 2.7004 0.9205 2.5640 0.4480 0.1643 0.6649 2.0115 1.7052 2.2670 7.1566 0.7950 0.5718 1.9090 0.5961 1.8337 2.1022 1.0243 0.0562 1.2541 1.0274 2.1624 1.7192 0.6574 2.2388 4.4180 4.8030 1.0102 0.8968 5.0396 1.7555 1.1630 4.3205 2.3639 2.5186 5.0980 1.5833 7.8604 1.8137 11.6882 8.0481 2.9667 6.7468 7.5400 2.9704 6.3985 4.9419 1.5803 6.5035 0.1864 1.3530 18.8419 2.2664 13.6778 2.3550 0.9956 6.3421 4.2979 7.1716 2.6090 9.4261 3.1966 12.4578 11.9282 16.3172 1.1651 0.4233 43.6744 3.9693 18.1855 0.9859 3.3443 5.9178 14.4738 7.1541 7.0671 16.5371 4.0216 2.4410 24.5695 9.5441 12.8387 3.0159 12.5584 0.0550 61.3729 20.5918 6.7412 21.8028 9.2186 16.6466 19.8989 0.7099 4.8812 8.4915 1.2537 22.9880 3.6514 5.5504 15.2312 9.2067 6.7298 17.1742 100.2082 136.8440 37.1374 29.5380 70.9481 56.5655 5.0527 20.2376 10.8349 23.3363 9.0490 47.3095 18.9723 6.3730 0.4697 3.6925 14.3656 140.9828 18.9669 5.9747 34.2814 84.9730 23.1643 45.2225 30.4240 1.6729 30.1786 1.3493 184.7509 35.0827 67.0579 2.3462 8.9203 29.6562 32.0264 193.4379 84.1126 207.3524 165.0884 105.2826 35.2881 96.8209 304.2481 4.0606 44.9060 95.8878 21.8931 30.2752 143.9870 20.6130 173.9851 1.5021 53.0414 70.5206 78.4158 50.7690 97.0956 79.9061 67.1503 115.6623 70.9156 181.2127 220.3812 154.3950 22.6476 96.8796 38.2720 0.7450 0.7498 0.7417 0.7494 0.7479 0.7211 0.7176 0.7495 0.7293 0.6920 0.7282 0.4557 0.7355 0.3036 0.4282 0.6805 0.4801 0.4921 0.2406 0.0808 0.5720 0.1191 0.6862 0.4652 0.5026 0.7365 0.4177 0.7497 0.4931 0.3565 0.1332 0.3746 0.5006 0.6826 0.7490 0.7500 0.7394 0.5712 0.3949 0.7395 0.1762 0.3824 0.6269 0.6331 0.6193 0.3523 0.5538 0.4629 0.4580 0.4274 0.3199 0.2297 0.4232 0.7477 0.7494 0.2694 0.7459 0.5531 0.6009 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 16730.7704 35034.9941 48484.9958 0.99979 0.02007 0.00270 -0.02008 0.99979 0.00390 -0.00262 -0.00395 0.99999 1 0.00518 0.00247 0.00179 0.10787 0.05151 0.03722 11.78 24.96 25.76 35.64 40.93 45.74 66.24 70.66 82.94 95.39 140.82 149.63 162.66 188.67 218.43 225.34 251.87 273.66 287.82 316.97 327.28 346.18 357.41 372.64 411.74 416.77 425.39 429.62 507.25 544.64 577.94 593.40 630.44 635.92 647.38 659.42 684.85 709.92 719.65 744.81 762.33 774.13 793.42 817.84 818.01 833.19 842.82 853.56 891.75 913.92 926.73 956.06 959.06 993.70 1022.30 1049.28 1085.48 1096.69 1108.13 1130.15 1158.03 1179.85 1192.15 1203.37 1232.40 1233.67 1241.45 1243.54 1249.72 1306.62 1355.06 1368.40 1369.98 1372.59 1374.76 1417.20 1479.85 1485.33 1494.67 1504.14 1506.58 1573.27 1582.99 1586.88 1593.40 1602.55 1607.94 1611.01 1615.13 1629.42 1641.25 1662.06 1663.57 1672.39 1674.17 1683.63 1688.74 1699.65 1719.49 1730.35 1751.53 1781.69 1795.37 1801.74 1815.69 1836.13 1851.93 1878.15 1890.49 1892.61 1900.99 1907.96 1916.85 1923.00 1968.55 1980.19 1983.99 2014.80 2032.61 2046.65 2050.41 2052.00 2073.34 2101.88 2110.71 2111.51 2144.34 2156.97 2171.87 2189.69 2217.63 2228.46 2250.43 2261.11 2263.09 2275.81 2289.03 2294.96 2327.49 2352.12 2358.03 2359.16 2359.30 2365.10 2381.35 2398.74 2400.34 2402.86 2493.41 2520.89 2528.51 2538.06 2565.60 2568.67 2576.76 2606.91 2668.90 2680.81 4623.38 4641.57 4643.69 4648.94 4652.59 4656.27 4690.93 4706.71 4707.44 4714.66 4728.21 4733.99 4738.25 4860.44 4861.25 4869.33 4886.40 4889.33 4895.68 4902.91 4911.43 4912.85 4913.48 4922.13 4926.26 5510.93 5536.22 5580.64 0.560886 0.590381 0.591325 0.494360 -1911.513042 -1911.483546 -1911.482602 -1911.579567 3.252222D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE CCc1ccc(cc1)S(=O)(=O)[C@@H]2[C@H]3[NH+]=C(c4ccccc4N3N=N2)NCCC5=c6ccccc6=[NH+]C5 C63493676 RHF 6-31G(d) (6D,10F) C1 500.199446 |X|Y|Z| 134.312941 90.762636 32.679975 73.581543 32 6 7 16 25 6 1 |36.858105| |12.408526|36.858105| |7.530677|12.599548|36.858105| |5.664521|7.542420|13.655303|36.858105| |4.170242|5.014073|7.888108|13.811620|36.858105| |3.774632|4.448745|6.876139|7.986490|13.699943|36.858105| |4.180886|5.014388|7.887025|6.852978|7.857834|13.698260|36.858105| |5.691320|7.547414|13.667388|7.934299|6.855986|7.987401|13.805554|36.858105| |2.827804|3.161440|4.220152|4.769687|7.009266|10.925197|7.043611|4.780328|388.023441| |2.633769|2.857405|3.664369|3.828713|4.949190|7.264158|6.373474|4.377933|94.681169|73.516695| |2.610021|2.848229|3.651019|4.375664|6.387335|7.228241|4.908967|3.805315|93.425116|13.592407|73.516695| |2.444035|2.803400|3.568848|3.944520|5.227149|6.659296|5.244641|3.952496|75.422536|13.026826|13.640175|36.858105| |2.477884|2.885161|3.658496|4.218391|5.626790|6.324716|4.810503|3.843650|57.472397|9.700498|12.778632|17.574676|0.500000| |2.067048|2.300503|2.799796|3.048458|3.823642|4.544177|3.842863|3.058268|50.066681|11.112086|11.436697|12.539889|0.243037|36.858105| |2.029969|2.220971|2.691076|2.880203|3.575006|4.357667|3.796057|2.990988|49.710903|13.220006|11.070572|8.784357|0.173488|17.541183|0.500000| |1.914978|2.107852|2.515732|2.806591|3.481639|3.821522|3.180990|2.643370|38.689110|8.302569|10.849520|7.541598|0.199041|13.188527|0.254314|53.358707| |1.993554|2.182904|2.619448|2.996890|3.795600|4.036380|3.241846|2.703424|41.026348|8.319390|13.358943|6.943094|0.196272|9.117902|0.203635|25.945288|0.500000| |1.692757|1.847469|2.151141|2.357957|2.810964|3.031472|2.633317|2.251181|28.351093|6.517730|7.703397|5.167388|0.139067|7.968458|0.185857|19.643370|0.259517|36.858105| |1.599057|1.748463|2.014949|2.153784|2.508438|2.750860|2.485140|2.139240|24.867916|6.008154|6.266009|4.618186|0.120067|6.899337|0.170190|10.803121|0.158899|13.035380|36.858105| |1.430355|1.549226|1.754360|1.858603|2.117792|2.288698|2.107320|1.851662|19.876568|4.902075|5.037756|3.446415|0.091254|4.598513|0.121647|7.022995|0.116612|7.570761|13.532478|36.858105| |1.358391|1.471428|1.650483|1.723021|1.932502|2.094953|1.973037|1.751378|17.695311|4.437642|4.363678|3.039114|0.080176|3.832173|0.102973|5.390420|0.092368|5.066130|7.902763|13.933872|36.858105| |1.416658|1.546368|1.737358|1.792924|2.002646|2.199791|2.104719|1.864460|18.399291|4.652554|4.386569|3.238154|0.084269|3.986561|0.106342|5.190732|0.088440|4.503008|6.868709|7.967109|13.597378|36.858105| |1.575017|1.738156|1.981036|2.043294|2.309767|2.585600|2.469879|2.150712|21.990906|5.537172|5.090930|4.107456|0.104240|5.156942|0.133166|6.194064|0.102126|5.078361|7.829701|6.814152|7.857946|13.847190|36.858105| |1.692818|1.872992|2.172478|2.285776|2.655298|2.990360|2.758197|2.349983|26.835515|6.573400|6.303209|5.370019|0.133621|7.843261|0.186520|9.276025|0.139579|7.716078|13.525866|7.864303|6.851013|7.999771|13.695824|36.858105| |1.927689|2.163472|2.574846|2.725918|3.255648|3.791989|3.427759|2.823882|35.647019|8.403954|7.890835|8.580678|0.194113|13.351639|0.254018|11.102208|0.164805|7.040793|8.099017|5.229708|4.591314|5.198973|7.821996|13.891188|53.358707| |2.082803|2.380498|2.854762|2.937607|3.450322|4.148919|3.941853|3.220895|36.120686|8.629685|7.319108|8.634266|0.191588|8.340041|0.188692|7.458555|0.126108|4.712673|5.203828|3.919688|3.711340|4.393686|6.423534|7.781193|19.003839|53.358707| |2.397857|2.791038|3.482100|3.597543|4.368341|5.589581|5.213417|4.023387|48.328872|10.714440|8.798136|12.995052|0.255349|8.199565|0.186915|7.241867|0.130735|4.252704|4.274163|3.300772|3.068002|3.457215|4.588548|5.529445|12.179723|21.327375|53.358707| |1.579691|1.706032|1.958634|2.160178|2.536636|2.650987|2.307786|2.014855|23.768434|5.466895|6.738549|3.974374|0.111214|5.287711|0.132778|11.339990|0.209124|14.360665|7.838194|6.534410|4.461884|3.766589|3.935213|5.181500|6.449817|4.852304|4.530943|53.358707| |1.614479|1.729357|1.983147|2.226294|2.624382|2.666008|2.279895|2.006047|23.561205|5.297530|7.126821|3.669168|0.105365|4.481299|0.115021|9.170511|0.211183|7.688217|4.997078|4.366732|3.329158|2.929579|3.074635|3.854670|5.182961|4.156907|4.071884|17.763996|36.858105| |1.443657|1.528916|1.721525|1.910086|2.192225|2.208686|1.933970|1.733422|18.765375|4.347658|5.502128|2.834799|0.080739|3.336689|0.088735|6.021173|0.131388|5.127103|3.946043|3.821938|3.022456|2.605599|2.627994|3.115474|4.063906|3.382430|3.294300|10.611873|12.391487|36.858105| |1.435487|1.505187|1.683146|1.879952|2.139392|2.113795|1.847562|1.674319|17.525951|4.044778|5.223542|2.538280|0.072806|2.853382|0.076724|4.900362|0.110994|3.831836|3.068317|2.946340|2.443662|2.171133|2.206853|2.564046|3.445267|2.964915|2.951332|6.831452|7.518040|12.660741|36.858105| |1.388040|1.453300|1.607905|1.799021|2.015907|1.957788|1.720187|1.581178|15.749239|3.609988|4.635579|2.278990|0.066339|2.483649|0.066130|4.140967|0.093110|3.182415|2.635443|2.547404|2.169374|1.952569|1.981393|2.262091|3.057103|2.685810|2.686993|5.400918|5.383790|7.409332|14.131199|36.858105| |1.336515|1.407531|1.545262|1.723963|1.909008|1.842218|1.630121|1.512024|14.554556|3.320244|4.193753|2.151254|0.063434|2.315913|0.060762|3.815717|0.084017|2.960689|2.513049|2.455291|2.119936|1.913653|1.930873|2.177390|2.923994|2.590241|2.576839|4.945189|4.563599|5.803259|7.415976|13.143333|36.858105| |1.284893|1.346318|1.462572|1.628123|1.776989|1.698722|1.514053|1.420426|13.143549|3.006073|3.749545|1.919436|0.056658|2.025281|0.053366|3.243151|0.071145|2.470473|2.146943|2.100626|1.853298|1.695960|1.712221|1.903838|2.575154|2.322992|2.325282|3.957291|3.497269|4.144235|5.142518|7.952128|14.243043|36.858105| |1.274903|1.322619|1.430628|1.592481|1.728937|1.645555|1.469582|1.384631|12.636951|2.906206|3.618214|1.802311|0.052819|1.884544|0.050252|2.970814|0.065656|2.223223|1.939662|1.888934|1.678577|1.548437|1.569397|1.739673|2.374515|2.161557|2.182286|3.490038|3.087007|3.584539|4.649019|6.858231|7.837684|13.096655|36.858105| |1.312947|1.353709|1.471138|1.640464|1.792935|1.711878|1.523096|1.427916|13.258266|3.063166|3.843147|1.857606|0.053968|1.950431|0.052566|3.077724|0.068752|2.283744|1.973661|1.911134|1.688804|1.557065|1.583745|1.765912|2.421854|2.198531|2.229868|3.586619|3.243203|3.791335|5.284575|7.607996|6.581728|7.693353|14.081299|36.858105| |1.373000|1.421089|1.562379|1.747191|1.940927|1.871783|1.651246|1.528658|14.840890|3.427405|4.373096|2.082549|0.060198|2.227694|0.060205|3.597081|0.081262|2.687041|2.268941|2.186721|1.897485|1.732050|1.764160|1.993899|2.727382|2.437704|2.465692|4.339020|4.129587|5.088465|8.410475|13.087580|7.612042|6.818160|8.086053|13.444342|36.858105| |1.407843|1.448358|1.600855|1.786927|2.000002|1.947058|1.715104|1.576615|15.645822|3.653399|4.658433|2.149546|0.061232|2.317102|0.063708|3.724034|0.084749|2.754528|2.314407|2.218431|1.918250|1.752188|1.790632|2.032985|2.792494|2.489822|2.527498|4.404920|4.213862|5.075200|8.274503|8.435026|5.286260|4.663648|5.270573|7.734016|14.555280|53.358707| |1.392335|1.420317|1.562468|1.737961|1.931459|1.877934|1.663834|1.536845|14.936104|3.517993|4.417958|2.017212|0.057133|2.151291|0.059695|3.381393|0.076581|2.472667|2.110407|2.023827|1.771073|1.630988|1.668727|1.880106|2.595398|2.339395|2.386570|3.848380|3.543401|4.069338|5.822718|5.908693|4.227677|3.953762|4.651533|6.828944|9.291125|25.962057|0.500000| |1.451620|1.503575|1.681120|1.873848|2.132185|2.113287|1.850597|1.675616|17.540091|4.114557|5.280027|2.433302|0.068574|2.707231|0.074935|4.482241|0.102549|3.370471|2.753035|2.626778|2.217206|1.997925|2.042321|2.357000|3.213211|2.803839|2.824799|5.588312|5.663503|7.220102|12.667169|8.206699|5.066622|4.104402|4.154436|5.196460|8.366268|17.931836|0.244267|36.858105| |17.560762|8.751246|6.810696|5.972389|4.393448|3.804950|3.979904|5.047150|20.453015|4.701604|4.852220|2.443010|0.069243|2.077380|0.056692|2.653288|0.057010|1.718115|1.605552|1.435641|1.354375|1.401710|1.553291|1.682198|2.602659|2.770339|3.183533|2.198025|1.669266|1.493970|1.498230|1.452138|1.392899|1.342146|1.339067|1.384401|1.445529|2.021360|0.040928|1.523279|0.500000| |17.564935|8.752178|6.812065|5.022778|3.968131|3.805618|4.411277|6.014921|20.468161|4.906340|4.643874|2.446380|0.067570|2.080943|0.057487|2.597090|0.054920|1.687572|1.602171|1.434169|1.365215|1.426986|1.587617|1.701794|2.637447|2.858940|3.290614|2.134851|1.595601|1.427542|1.415210|1.360091|1.303134|1.248676|1.239794|1.281772|1.346029|1.889864|0.038214|1.438568|0.301534|0.500000| |17.575858|8.806313|5.499912|4.435258|3.421750|3.128674|3.427798|4.448628|17.378216|4.082658|4.053132|2.167312|0.061220|1.861488|0.050738|2.364728|0.050032|1.553227|1.475657|1.330792|1.270207|1.324070|1.462272|1.558773|2.389734|2.575611|2.920600|1.984112|1.487899|1.342002|1.336869|1.299714|1.257888|1.215678|1.207697|1.239248|1.287942|1.790576|0.036193|1.349395|0.301444|0.301522|0.500000| |8.836691|17.563378|8.933251|7.168375|4.743794|4.001847|4.219521|5.674975|20.916979|4.644140|4.841766|2.682150|0.078433|2.214802|0.058730|2.807222|0.059555|1.816212|1.712276|1.521386|1.443095|1.510879|1.690975|1.822821|2.848451|3.106495|3.604536|2.299605|1.720951|1.525681|1.507554|1.467163|1.430812|1.375153|1.349685|1.374034|1.434084|1.974950|0.039460|1.497083|0.210424|0.172791|0.213344|0.500000| |8.838604|17.566824|8.937257|5.682211|4.224197|4.002956|4.740349|7.157974|20.934458|4.839925|4.636463|2.686661|0.076045|2.219158|0.059610|2.741475|0.057203|1.780548|1.708237|1.519670|1.456143|1.542436|1.735199|1.847661|2.893931|3.232015|3.761025|2.228120|1.641167|1.455664|1.423685|1.373092|1.334701|1.275817|1.248912|1.274239|1.337472|1.852678|0.037029|1.417052|0.172799|0.210501|0.213376|0.303817|0.500000| |5.553423|7.002167|8.898467|17.723783|8.968910|5.670158|4.942126|5.642757|27.979716|5.723412|6.827400|3.398527|0.102984|2.726125|0.071292|3.521839|0.077306|2.207483|2.008334|1.751452|1.623425|1.676545|1.888459|2.102617|3.347897|3.545370|4.211251|2.801010|2.147091|1.862643|1.855111|1.798112|1.733880|1.652923|1.623775|1.666540|1.757113|2.428115|0.048298|1.846039|0.173027|0.128958|0.125607|0.215010|0.144103|0.500000| |3.555221|4.087772|5.620980|8.919128|17.748492|8.882212|5.610740|4.945813|47.304076|8.147410|13.053496|5.164930|0.162545|3.923890|0.100370|5.125588|0.118704|3.005594|2.604238|2.192711|1.972941|2.015259|2.306268|2.689326|4.441469|4.516284|5.540585|3.749905|2.927646|2.416543|2.381336|2.247663|2.117953|1.964627|1.911587|1.988061|2.162334|3.026821|0.059359|2.367435|0.106583|0.093323|0.083658|0.112296|0.097184|0.215738|0.500000| |3.565656|4.088461|5.620955|4.944445|5.610543|8.880447|17.752598|8.915992|47.665109|12.885386|8.066896|5.199722|0.124674|3.962863|0.112519|4.319688|0.087769|2.655865|2.559858|2.173088|2.051998|2.212110|2.614393|2.889380|4.889806|5.751283|7.529671|3.132650|2.236362|1.903892|1.802348|1.666315|1.575602|1.458516|1.413466|1.466608|1.595588|2.264949|0.044848|1.808704|0.093639|0.107090|0.083842|0.097088|0.112207|0.107389|0.123632|0.500000| |5.592527|7.004253|8.900214|5.641866|4.943984|5.672397|8.974557|17.727899|28.063435|6.820274|5.688303|3.409247|0.091044|2.739653|0.075281|3.226353|0.066533|2.057962|1.988125|1.741658|1.666680|1.784712|2.046518|2.194217|3.527905|4.055677|4.910299|2.514937|1.826182|1.596282|1.540162|1.457251|1.397723|1.317308|1.285286|1.323138|1.411175|1.980005|0.039489|1.542661|0.129809|0.175143|0.126205|0.143811|0.214164|0.124022|0.107417|0.215879|0.500000| |1.367769|1.470542|1.656363|1.763801|2.003343|2.136747|1.957978|1.732948|18.423807|4.528787|4.792136|3.074513|0.082540|3.990113|0.107292|6.390338|0.111402|6.889203|8.800805|17.728306|9.051955|5.670320|4.923048|5.595591|5.747148|4.473293|3.917164|9.746686|4.766193|4.420744|3.283283|2.795894|2.679470|2.260945|2.020409|2.047167|2.366521|3.265639|0.060296|2.880170|0.038327|0.038043|0.035423|0.040229|0.039903|0.046523|0.058136|0.055691|0.045250|0.500000| |1.262108|1.358850|1.510259|1.572128|1.746141|1.876475|1.777648|1.594854|15.590265|3.923978|3.871563|2.598392|0.069159|3.170126|0.086334|4.495268|0.079603|4.110723|5.625759|8.975625|17.757574|8.861199|5.621106|4.944244|4.965973|4.190036|3.563162|5.255509|3.000822|2.839176|2.320981|2.078036|2.042440|1.796044|1.627871|1.633034|1.824520|2.503541|0.047295|2.110269|0.034979|0.035235|0.032930|0.037086|0.037390|0.041391|0.049536|0.051239|0.042370|0.218289|0.500000| |1.346558|1.466241|1.631117|1.667419|1.838259|2.011748|1.953341|1.751131|16.439905|4.187741|3.896170|2.821104|0.073846|3.321788|0.089732|4.289902|0.075199|3.591492|4.951091|5.671029|8.889419|17.734064|9.001021|5.680810|5.706948|5.179381|4.172883|4.244535|2.519914|2.289523|1.944542|1.769469|1.744121|1.562676|1.433140|1.437347|1.584157|2.177100|0.041600|1.802546|0.036872|0.037726|0.035131|0.039793|0.040863|0.043428|0.051054|0.057176|0.047003|0.124886|0.214592|0.500000| |1.619002|1.797627|2.044528|2.077557|2.324089|2.625943|2.567510|2.244398|21.753645|5.528775|4.888757|4.046525|0.102039|4.701788|0.122408|5.389672|0.091601|4.139644|5.600253|4.925249|5.601188|8.902454|17.767162|8.914267|9.629189|9.634546|6.651179|4.493002|2.695432|2.321952|1.994859|1.811483|1.770588|1.588018|1.465322|1.477620|1.631411|2.253264|0.043146|1.865240|0.043998|0.045443|0.041794|0.048391|0.050318|0.053040|0.063446|0.076329|0.059886|0.107084|0.123633|0.215539|0.500000| |1.466361|1.579892|1.792437|1.956913|2.256171|2.348881|2.083424|1.842038|20.433322|4.784459|5.634354|3.395911|0.095105|4.357615|0.111464|8.211765|0.151011|9.608339|7.428685|7.457200|4.944162|3.938237|3.900882|4.857597|5.708136|4.410519|4.048882|26.055852|9.017540|7.542311|4.750083|3.856377|3.646619|2.910864|2.529421|2.562055|3.063803|4.161404|0.074265|3.805846|0.041511|0.040438|0.037820|0.043563|0.042338|0.052067|0.067370|0.057946|0.047351|0.259131|0.121551|0.090722|0.089903|0.500000| |1.696470|1.805674|2.089419|2.355320|2.819725|2.891274|2.442734|2.123897|26.379985|5.955130|8.355748|3.898591|0.109065|4.780850|0.127750|9.612682|0.243155|7.038680|4.656827|3.978099|3.100134|2.786054|2.969393|3.735285|5.201488|4.206698|4.208160|12.488994|17.588872|8.814740|6.881712|4.882747|3.967184|3.170215|2.921851|3.167678|4.058344|5.999728|0.104900|6.165638|0.048942|0.046800|0.043174|0.049562|0.047359|0.062640|0.087846|0.066626|0.053442|0.117527|0.077525|0.066930|0.073195|0.182903|0.500000| |1.681531|1.814244|2.082295|2.372527|2.801154|2.774649|2.342558|2.076575|23.919185|5.191361|7.330688|3.767560|0.113393|4.343509|0.107285|8.728954|0.212241|6.596735|4.480047|3.855065|3.044894|2.753468|2.931583|3.647091|5.067114|4.156064|4.140193|12.341860|17.564432|8.794369|6.804975|5.525555|4.952352|3.791157|3.281416|3.371499|4.193796|5.559518|0.095587|5.061984|0.048437|0.045776|0.043033|0.050587|0.047599|0.064161|0.088478|0.062868|0.052150|0.112691|0.076284|0.066395|0.072546|0.194404|0.300893|0.500000| |1.379889|1.467040|1.639872|1.811144|2.054932|2.061153|1.821345|1.646520|17.175677|3.974198|4.916013|2.650915|0.076350|3.081783|0.080697|5.442618|0.114932|4.752891|3.844988|3.856612|3.083798|2.631165|2.611820|3.041539|3.895654|3.264752|3.146093|9.630945|8.831645|17.581982|8.971409|7.004851|6.487212|4.468496|3.645487|3.660876|4.653722|5.894689|0.098473|5.448431|0.039522|0.037787|0.035797|0.040854|0.038961|0.049278|0.062542|0.049785|0.042294|0.125634|0.081467|0.064501|0.063981|0.217189|0.173457|0.212056|0.500000| |1.387813|1.462603|1.643589|1.803299|2.062131|2.108449|1.868352|1.670522|18.034693|4.290877|5.191392|2.700937|0.075128|3.237234|0.088656|5.660153|0.119405|4.945270|3.983841|4.013808|3.163021|2.674593|2.651895|3.108804|3.971872|3.299731|3.183338|9.802135|8.855618|17.548496|8.987897|5.759055|4.613583|3.520696|3.153884|3.381442|4.429533|6.357339|0.107747|6.794614|0.039776|0.038350|0.035871|0.040310|0.038839|0.048563|0.062294|0.051634|0.042997|0.133849|0.083545|0.065322|0.064705|0.204356|0.211820|0.173438|0.302663|0.500000| |1.330950|1.411726|1.552503|1.726328|1.914363|1.858680|1.648139|1.525188|14.744915|3.358803|4.202148|2.231889|0.066097|2.424827|0.062918|4.034372|0.087304|3.207984|2.734313|2.694664|2.313331|2.070449|2.077140|2.343018|3.107284|2.731004|2.688387|5.453605|4.856113|6.120273|6.533312|8.675623|17.749386|9.051522|5.576372|4.801342|5.474809|5.823208|0.097887|4.408082|0.038328|0.036049|0.034800|0.039872|0.037343|0.048024|0.058716|0.044371|0.039203|0.082172|0.061898|0.052212|0.052552|0.114932|0.111553|0.148233|0.215133|0.132794|0.500000| |1.241863|1.304570|1.408713|1.561557|1.689874|1.613054|1.446873|1.365445|12.353770|2.826989|3.476779|1.819881|0.053913|1.907160|0.050037|3.019333|0.065455|2.305367|2.037430|2.004947|1.789330|1.644756|1.655202|1.822919|2.458653|2.233964|2.229644|3.636759|3.099322|3.560793|4.105417|5.623866|9.064278|17.755354|8.755044|5.583939|4.929445|5.027379|0.090013|3.355716|0.035925|0.033447|0.032765|0.037150|0.034448|0.044165|0.051590|0.038710|0.035284|0.059592|0.048364|0.042326|0.042802|0.075131|0.077711|0.093763|0.109133|0.085570|0.216330|0.500000| |1.226612|1.268603|1.361228|1.509218|1.621277|1.537706|1.382602|1.312665|11.659848|2.689311|3.303049|1.658406|0.048597|1.717792|0.045862|2.667318|0.058551|1.987068|1.758062|1.716210|1.542693|1.432919|1.451278|1.594812|2.180287|2.004210|2.026481|3.064483|2.641139|2.986962|3.683289|4.946260|5.648480|8.775016|17.725117|9.095864|5.705097|5.722882|0.108628|3.399149|0.035792|0.033072|0.032422|0.036067|0.033307|0.042963|0.049522|0.036905|0.033959|0.050649|0.041696|0.037068|0.037864|0.061888|0.069950|0.077890|0.084775|0.074490|0.124004|0.215567|0.500000| |1.290620|1.320467|1.427512|1.586852|1.722147|1.641508|1.467887|1.382949|12.601708|2.929891|3.635005|1.741736|0.050343|1.814577|0.049267|2.818045|0.062813|2.072358|1.809031|1.751033|1.560757|1.448486|1.475120|1.635556|2.252556|2.062336|2.100579|3.194529|2.832135|3.220473|4.289471|5.471657|4.801841|5.510338|8.950234|17.754086|8.753874|9.250740|0.193171|4.544335|0.037914|0.035029|0.033911|0.037203|0.034486|0.044906|0.052819|0.039254|0.035682|0.051785|0.041996|0.037316|0.038442|0.063212|0.078474|0.081016|0.085544|0.082055|0.104984|0.123067|0.216580|0.500000| |1.373380|1.417594|1.578939|1.738888|1.966698|1.974907|1.752378|1.586670|16.421390|3.939523|4.828195|2.280908|0.063356|2.567738|0.072257|4.171424|0.092716|3.204830|2.690376|2.625797|2.228988|1.991172|2.010775|2.295643|3.083436|2.691327|2.687191|5.268186|4.941059|6.459716|8.853999|6.244068|4.299840|3.576958|3.618033|4.404321|6.343269|12.378761|0.206127|17.544842|0.039862|0.038001|0.035548|0.039044|0.037304|0.047354|0.059774|0.048026|0.040858|0.081018|0.059533|0.050075|0.050898|0.102281|0.148472|0.118301|0.139607|0.195742|0.107468|0.083428|0.084503|0.110878|0.500000| 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