Version2.1 2021-01-11T02:44:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 29-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(n1)[C@@H]2[C@H]3C(=c4ccccc4=[NH+]3)CCN2Cc5ccc(s5)C[NH+]6CCCC6 C64053300 RHF 6-31G(d) (6D,7F) Cc1cccc(n1)[C@@H]2[C@H]3C(=c4ccccc4=[NH+]3)CCN2Cc5ccc(s5)C[NH+]6CCCC6 C01[X(C27H32N4S1)] 186 C1 548 Cc1cccc(n1)[C@H]1N(CCC2=c3c(=[NH+][C@@H]12)cccc3)Cc1ccc(s1)C[NH+]1CCCC1 Cc1cccc(n1)[C@H]1N(CCC2=c3c(=[NH+][C@@H]12)cccc3)Cc1ccc(s1)C[NH+]1CCCC1 Cc1cccc(n1)[C@@H]2[C@@H]3[NH+]=C4C=CC=CC4=C3CCN2Cc5sc(C[NH+]6CCCC6)cc5 InChIKey=GQACKJIABWBCLZ-KAYWLYCHSA-P InChI=1S/C27H30N4S/c1-19-7-6-10-25(28-19)27-26-23(22-8-2-3-9-24(22)29-26)13-16-31(27)18-21-12-11-20(32-21)17-30-14-4-5-15-30/h2-3,6-12,26-27H,4-5,13-18H2,1H3/p+2/t26-,27-/m1/s1 InChI=1/C27H30N4S/c1-19-7-6-10-25(28-19)27-26-23(22-8-2-3-9-24(22)29-26)13-16-31(27)18-21-12-11-20(32-21)17-30-14-4-5-15-30/h2-3,6-12,26-27H,4-5,13-18H2,1H3/p+2/t26-,27-/m1/s1/fC27H32N4S/h29-30H/q+2 Cc1cccc(n1)[C@@H]2[C@H]3C(=c4ccccc4=[NH+]3)CCN2Cc5ccc(s5)C[NH+]6CCCC6 C01[X(C27H32N4S1)] 186 C01 548 Cc1cccc(n1)[C@H]1N(CCC2=c3c(=[NH+][C@@H]12)cccc3)Cc1ccc(s1)C[NH+]1CCCC1 C[C]1[CH][CH][CH][C]([N]1)[C@H]1N(CCC2=[C]3[C]([NH][C@@H]12)[CH]=[CH][CH]=[CH]3)CC1=[CH][CH]=C(S1)C[NH]1CCCC1 C[C]1[CH][CH][CH][C]([N]1)[C@@H]2[C@@H]3N[C]4C=CC=CC4=C3CCN2Cc5sc(C[NH]6CCCC6)cc5 InChIKey=PLKSYNAPZYLDQY-KAYWLYCHSA-N InChI=1S/C27H32N4S/c1-19-7-6-10-25(28-19)27-26-23(22-8-2-3-9-24(22)29-26)13-16-31(27)18-21-12-11-20(32-21)17-30-14-4-5-15-30/h2-3,6-12,26-27,29-30H,4-5,13-18H2,1H3/t26-,27-/m1/s1 InChI=1/C27H32N4S/c1-19-7-6-10-25(28-19)27-26-23(22-8-2-3-9-24(22)29-26)13-16-31(27)18-21-12-11-20(32-21)17-30-14-4-5-15-30/h2-3,6-12,26-27,29-30H,4-5,13-18H2,1H3/t26-,27-/m1/s1 3339.0606728026 -1655.9134616 1-A 20418.4752 118 430 548 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1.3192 1.5197 1.7714 1.3572 2.7480 1.3955 1.2474 1.5295 1.5873 1.3619 1.4319 2.2601 1.2140 1.5218 1.6743 1.5679 1.0487 1.2923 1.7909 1.0922 1.8984 1.1076 1.3780 1.0917 1.0890 1.1138 1.1089 6.4402 4.9440 4.6824 6.0582 5.5906 5.6927 5.9994 1.0694 1.0626 1.0381 1.0827 1.0691 1.0930 1.0689 1.0617 1.0890 1.0627 1.0645 1.1020 1.0633 1.0972 1.1083 1.1034 1.1043 1.1061 1.1094 1.1114 1.1081 1.0901 1.0907 1.0945 1.0950 1.0906 1.0980 1.0978 1.0995 1.0956 1.0786 1.0814 0.0005 0.0010 0.0013 0.0013 0.0030 0.0046 0.0048 0.0019 0.0059 0.0107 0.0150 0.0331 0.0430 0.0596 0.0477 0.0442 0.0648 0.1045 0.1154 0.1079 0.1571 0.1684 0.2032 0.1989 0.2885 0.1994 0.2788 0.2660 0.3055 0.3717 0.2569 0.3581 0.2358 0.4709 0.6276 0.5149 0.5473 0.4976 0.6254 0.9379 1.0635 0.9323 0.6545 1.3331 0.7551 1.1461 0.9458 1.3967 1.4721 1.4321 1.6714 1.9948 2.0590 1.9729 1.6114 0.5747 1.1888 0.6390 0.8272 0.8172 0.8158 1.6330 0.9499 1.2782 1.0749 0.8179 1.5824 1.4531 1.1654 1.3832 1.1832 1.1907 1.0570 1.1071 1.6664 1.2794 1.8208 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8.4737 23.8245 14.4979 9.6254 17.1269 0.2440 6.5806 4.7698 5.5359 2.8735 6.6239 8.4976 7.4487 10.3890 9.3851 7.5067 6.4924 4.9852 15.8185 4.8618 3.5139 8.7776 0.8660 1.6030 86.3595 9.0682 3.5935 67.9146 8.8822 14.7019 23.4620 7.9497 8.2465 1.8426 9.5267 6.4133 13.2195 1.3257 2.6597 1.2105 9.9818 9.7989 1.0788 22.2116 5.0707 14.6761 67.6915 1.6466 0.6901 35.8902 0.1064 16.5550 5.3987 18.8469 1.5319 22.5062 5.5635 17.9532 3.9512 3.5504 28.9897 4.5626 8.6709 56.8170 24.7827 31.9572 71.6411 22.3567 4.3322 42.8688 1.1239 7.4493 2.1508 20.5577 9.5764 11.8537 9.1563 32.3830 11.3463 17.5618 31.9118 9.0826 6.7482 1.8124 15.6060 10.2161 37.1692 7.4871 20.9352 7.2488 5.8701 49.5812 88.6125 3.1080 202.6618 48.8133 93.7606 22.9437 4.2781 96.4397 17.8242 26.8408 17.8651 9.0366 38.7884 94.0495 5.1595 25.4069 2.8413 17.4258 6.1769 20.2179 7.3513 4.7179 40.3216 11.2459 156.6884 53.2638 4.0422 61.6881 577.7454 1.6096 24.1878 11.7997 3.3491 10.5084 1.3842 32.5531 4.7170 19.0757 8.4614 6.9662 14.6861 6.2023 13.2779 18.8211 12.1140 0.9925 4.2164 0.5874 4.4953 4.7677 2.7650 1.4610 6.7578 4.5400 0.1063 3.8207 0.2381 0.7361 1.7030 38.1594 140.6679 0.4050 1.3073 0.2813 0.3024 5.5162 3.9511 0.1752 0.3878 0.8342 3.7600 7.0013 1.8745 1.5383 1.9550 0.9026 0.8077 1.0416 1.6133 3.8506 1.7239 2.8012 2.1083 4.2837 2.4837 2.0359 0.9958 2.2598 0.5305 0.1539 2.6369 1.1657 1.5035 9.3023 2.4789 2.2516 3.8308 4.0569 2.0855 1.3557 3.8132 5.2489 3.9677 0.7740 2.5963 3.5416 1.9612 3.0573 4.1591 2.8088 3.0326 6.9264 14.4487 9.2744 8.6528 2.1636 1.5796 2.1105 4.6922 6.6563 4.8136 1.0898 4.9279 15.0581 6.0235 4.8974 1.4387 5.9860 4.6031 1.4718 10.0098 1.6027 2.7870 4.7717 1.6120 15.9024 0.7582 1.6823 13.7710 11.7972 3.4969 3.8836 2.2819 8.6979 0.6745 17.1319 18.4798 16.5867 2.7945 4.0532 0.5651 14.9151 3.3444 16.6210 2.4929 4.9235 4.6141 7.6265 1.2054 9.6139 33.3859 19.2766 30.4485 11.7227 2.1875 4.7041 5.0566 15.1931 74.2384 70.6498 10.9286 11.5880 6.5702 14.6725 10.9938 3.9910 22.9754 5.6846 3.1820 8.6461 11.3700 3.8607 4.0506 10.3461 1.1543 140.1124 5.9134 2.0308 9.2666 10.0816 5.6928 9.0592 83.4827 19.5317 9.7673 47.1716 19.9199 15.1177 31.9874 21.1532 2.4293 28.1366 19.1108 4.5591 3.6338 10.0468 10.2234 8.9622 262.6669 87.0443 27.4505 18.7606 13.7364 9.2487 40.0404 84.9236 85.5822 99.4529 130.6673 55.3058 27.7864 90.8472 62.9164 72.5527 69.8347 9.1075 51.3772 167.6527 59.6333 61.9362 56.6874 47.2831 111.1526 32.1553 57.5785 43.9286 50.8724 61.9721 72.0073 60.0967 74.2432 159.8697 117.8247 241.5114 120.1156 17.2227 59.5904 0.7481 0.6713 0.6173 0.6396 0.7484 0.7205 0.3317 0.7131 0.6419 0.7267 0.7496 0.7423 0.6953 0.5808 0.5670 0.2408 0.3573 0.5191 0.6409 0.7420 0.7437 0.7335 0.2696 0.5029 0.2916 0.5355 0.4948 0.7393 0.7423 0.4812 0.1907 0.2597 0.1292 0.2058 0.7457 0.7449 0.1910 0.6038 0.6958 0.3845 0.3959 0.6993 0.3874 0.3884 0.7426 0.5020 0.7123 0.3956 0.4986 0.3331 0.3552 0.0999 0.2080 0.2085 0.6818 0.1605 0.7167 0.4918 0.4750 0.0981 0.7414 0.7464 0.1064 0.4641 0.4957 0.6832 0.1342 0.2146 0.6304 0.3555 0.5141 0.4491 0.6131 0.5835 0.4348 0.2690 0.6864 0.3187 0.0721 0.3286 0.5006 0.7005 0.4130 0.6927 0.3635 0.3662 0.5635 0.7497 0.7391 0.7122 0.4277 0.6630 0.3825 0.7439 0.2873 0.6701 0.3363 0.7430 0.5820 0.2480 0.2026 0.5234 0.3405 0.2763 0.6172 0.7185 0.6649 0.2418 0.4041 0.5465 0.2647 0.7181 0.4068 0.7481 0.5753 0.4179 0.3089 0.4403 0.6815 0.5993 0.6731 0.1459 0.1830 0.1924 0.1808 0.6043 0.7232 0.3512 0.2662 0.2432 0.6971 0.2010 0.5586 0.7375 0.3922 0.2369 0.6957 0.0366 0.3727 0.6561 0.3025 0.7308 0.7490 0.7491 0.7069 0.7023 0.5258 0.2999 0.6168 0.3012 0.6278 0.4228 0.4476 0.3419 0.2282 0.0749 0.0110 0.3036 0.2368 0.5530 0.1863 0.0569 0.2293 0.2830 0.4228 0.7452 0.0400 0.3321 0.6821 0.6917 0.3924 0.5178 0.7159 0.7436 0.5365 0.7296 0.5970 0.5069 0.4151 0.7458 0.1524 0.3262 0.1455 0.2425 0.1893 0.3145 0.8559 0.8033 0.7634 0.7802 0.8561 0.8375 0.4982 0.8325 0.7819 0.8417 0.8569 0.8521 0.8202 0.7348 0.7237 0.3881 0.5265 0.6834 0.7812 0.8519 0.8530 0.8463 0.4247 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0.0769 0.4986 0.8110 0.8178 0.5636 0.6823 0.8345 0.8530 0.6983 0.8436 0.7477 0.6728 0.5866 0.8544 0.2645 0.4919 0.2541 0.3903 0.3183 0.4785 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 61 62 63 64 6 6 6 6 6 6 7 6 1 6 1 6 6 6 6 6 6 6 7 1 6 6 7 6 6 6 6 6 16 6 7 1 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 1.00783 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 5491.4988 33332.3454 34609.0414 1.00000 -0.00114 -0.00211 0.00114 0.99999 0.00383 0.00210 -0.00383 0.99999 1 0.01577 0.00260 0.00250 0.32864 0.05414 0.05215 18.13 26.56 33.72 48.24 55.67 62.92 65.99 74.31 87.42 95.36 102.09 152.82 169.35 204.49 213.76 229.03 258.20 306.16 321.38 336.35 347.37 414.55 421.33 434.09 466.72 494.45 521.97 546.73 596.82 631.92 656.10 675.03 700.99 716.77 761.76 773.34 776.47 799.66 811.29 845.61 852.47 863.11 878.12 889.58 945.48 978.33 1003.43 1010.43 1060.93 1067.57 1103.69 1138.29 1142.20 1175.70 1199.78 1216.50 1219.33 1230.63 1247.50 1264.05 1274.11 1324.04 1340.55 1352.35 1362.20 1374.46 1390.52 1392.34 1435.08 1458.11 1470.10 1474.22 1493.77 1519.38 1525.55 1533.15 1546.13 1571.06 1576.35 1584.44 1604.95 1611.97 1625.50 1646.99 1651.60 1660.53 1664.68 1667.18 1672.34 1688.18 1698.48 1699.94 1708.52 1734.47 1744.29 1781.16 1817.25 1819.40 1852.75 1861.74 1879.61 1892.13 1901.63 1914.38 1919.25 1931.05 1967.21 1972.63 1976.72 1990.69 1996.97 2005.08 2009.11 2066.81 2076.56 2106.46 2106.71 2116.16 2132.39 2143.61 2151.76 2171.16 2171.79 2189.33 2193.71 2206.33 2220.91 2240.40 2246.86 2257.04 2258.20 2269.06 2297.21 2303.01 2307.14 2309.88 2335.78 2338.45 2345.33 2349.29 2354.23 2356.64 2362.55 2372.08 2376.18 2392.52 2408.81 2426.91 2506.53 2526.49 2566.43 2570.77 2589.68 2643.73 4625.70 4629.30 4632.41 4645.30 4678.15 4683.03 4692.13 4700.91 4706.54 4709.08 4715.58 4717.40 4726.08 4737.16 4757.91 4761.02 4761.23 4781.40 4792.88 4815.92 4833.25 4859.27 4877.87 4879.27 4879.78 4892.27 4898.76 4904.66 4918.67 4945.15 5307.29 5572.17 0.591736 0.618706 0.619650 0.529090 -1655.321726 -1655.294756 -1655.293812 -1655.384372 3.037397D-04 MUNgauss RevisionA2.0 retrievium 11-Jan-2021 DUDE Cc1cccc(n1)[C@@H]2[C@H]3C(=c4ccccc4=[NH+]3)CCN2Cc5ccc(s5)C[NH+]6CCCC6 C64053300 RHF 6-31G(d) (6D,10F) C1 444.234769 |X|Y|Z| 130.521292 45.023574 36.817030 60.032997 31 6 7 16 26 4 1 |36.858105| |12.646141|36.858105| |7.519938|13.686420|36.858105| |5.031784|7.978808|13.803005|36.858105| |4.498065|6.978326|7.981649|13.732298|36.858105| |5.223367|8.313304|7.033714|8.025423|13.777073|36.858105| |7.892623|14.364944|8.034600|6.921611|8.016262|14.389979|53.358707| |3.950363|5.207273|4.504821|5.033976|7.540360|12.521088|10.714210|36.858105| |3.340990|4.324310|4.054358|4.827711|7.426460|8.992735|7.870814|17.603551|0.500000| |3.716479|4.510494|3.810788|4.006217|5.243596|7.463573|8.685373|12.247298|0.247459|36.858105| |3.075646|3.607047|3.172532|3.383671|4.330941|5.532785|6.451200|8.906169|0.226778|17.528372|0.500000| |4.071141|4.536704|3.595301|3.510790|4.216617|5.937444|8.594490|7.532348|0.154905|12.740301|0.251689|36.858105| |4.186695|4.409866|3.505277|3.318177|3.771517|4.947111|7.596197|5.378886|0.120942|8.185689|0.177735|14.037165|36.858105| |3.996573|3.827666|3.076601|2.825320|3.052615|3.779795|6.000145|3.895536|0.091524|5.075291|0.122036|7.429531|13.237160|36.858105| |3.659865|3.450143|2.881728|2.639263|2.773221|3.272392|5.092318|3.262916|0.079545|4.098048|0.101025|5.136038|7.963640|14.177739|36.858105| |3.492363|3.447534|2.985590|2.784339|2.916012|3.343742|5.018873|3.284165|0.082008|4.150992|0.102181|4.657067|6.900433|7.876689|13.203102|36.858105| |3.583085|3.796919|3.330954|3.205855|3.455301|3.974817|5.718820|3.928869|0.098732|5.200782|0.124608|5.308449|7.681421|6.618835|7.709073|14.023626|36.858105| |3.938779|4.389720|3.687544|3.606264|4.126519|5.149858|7.300696|5.395011|0.128510|8.358806|0.180045|8.458682|13.240679|7.653187|6.815189|8.077453|13.489096|36.858105| |3.725690|4.491166|3.915746|4.096228|5.087239|6.449394|7.896225|7.417880|0.180661|13.179855|0.254428|8.304396|8.420467|5.284568|4.645573|5.247534|7.711232|14.403002|53.358707| |3.343055|4.061701|3.769415|4.115073|5.104295|5.788877|6.724538|6.374447|0.175537|8.781327|0.206994|5.840565|5.918328|4.235100|3.949877|4.643447|6.827819|9.267599|26.022815|0.500000| |3.764173|4.031638|3.224306|3.128095|3.685794|5.004772|7.324621|6.323909|0.134757|7.432551|0.184460|12.800894|7.318521|5.703657|4.091106|3.568118|3.797073|5.112644|6.999235|0.114424|36.858105| |3.948931|4.460708|3.592235|3.548099|4.293718|5.982396|8.365010|7.619328|0.156754|6.522263|0.159971|7.670778|5.127275|4.145806|3.250344|2.970988|3.216850|4.166956|6.150060|0.105818|12.349786|36.858105| |3.612585|4.407622|3.768611|4.010089|5.319429|7.504307|8.436362|13.134382|0.258485|7.972902|0.200508|6.878513|4.695325|3.631960|2.977608|2.865127|3.240420|4.244881|6.950188|0.123255|7.730598|13.121184|53.358707| |3.005542|3.593655|3.280814|3.597739|4.632529|5.514234|6.192746|7.622700|0.208577|5.233347|0.145393|4.560518|3.474858|2.855678|2.431647|2.364278|2.637314|3.262378|5.246355|0.099147|5.146924|7.656329|18.004493|36.858105| |3.044341|3.639970|3.435323|3.771844|4.614913|5.060055|5.893118|5.619720|0.153515|3.985644|0.106044|3.637775|2.946106|2.513955|2.184868|2.126970|2.337728|2.793791|4.353223|0.083785|4.045675|5.879037|10.243219|12.531433|36.858105| |3.533180|4.256928|4.023923|4.281330|4.941848|5.342466|6.612018|5.119100|0.132252|3.700405|0.094335|3.505678|2.920417|2.535458|2.215218|2.147819|2.337474|2.759086|4.194545|0.080320|3.849995|5.545241|8.433941|7.309669|14.150344|36.858105| |3.043016|3.514090|3.498202|3.703042|3.966833|3.974205|5.065468|3.741683|0.100731|2.905083|0.075525|2.776896|2.405536|2.148256|1.918420|1.868858|2.010140|2.302590|3.440051|0.067139|3.006303|3.960307|5.778500|4.993964|8.194388|13.259939|36.858105| |2.528556|2.882545|2.893385|3.127374|3.404502|3.366133|4.195777|3.341738|0.093481|2.653241|0.070986|2.502886|2.172416|1.944083|1.746929|1.709850|1.840708|2.095515|3.148041|0.062167|2.709338|3.465085|5.186259|4.790675|7.620155|8.196230|14.155638|36.858105| |2.421737|2.794122|2.745320|3.027251|3.502704|3.563325|4.265465|3.855994|0.111701|3.014033|0.083101|2.768118|2.339179|2.052770|1.826136|1.790577|1.948901|2.256250|3.463505|0.068425|3.025321|3.919991|6.293257|6.792050|10.939346|7.464222|7.464212|10.939285|388.023441| |2.170834|2.415571|2.465824|2.642948|2.782630|2.700083|3.423082|2.662646|0.075134|2.202367|0.059443|2.091983|1.857255|1.689330|1.539643|1.512276|1.615418|1.805011|2.679458|0.053434|2.238888|2.732094|3.999109|3.527623|4.803255|5.046771|7.475421|12.740288|47.897673|36.858105| |1.965373|2.132562|2.133658|2.237647|2.354655|2.344809|3.031783|2.358449|0.065873|2.006582|0.054707|1.941882|1.729463|1.592763|1.450891|1.412889|1.493985|1.662143|2.437424|0.048345|2.112972|2.539205|3.605131|3.147623|4.036715|4.100325|5.414610|7.620281|39.092088|12.653422|53.358707| |1.928081|2.097658|2.077420|2.187870|2.343271|2.360911|3.029718|2.431839|0.068258|2.073125|0.057122|2.001743|1.767938|1.621702|1.470497|1.429503|1.514185|1.693483|2.493133|0.049378|2.197362|2.646656|3.781580|3.386062|4.282345|4.098742|5.057636|7.258833|44.429206|9.304140|25.692914|0.500000| |1.722069|1.850603|1.870244|1.959375|2.034494|2.003498|2.599874|2.007890|0.056467|1.743605|0.047762|1.686732|1.524052|1.415312|1.302988|1.274618|1.342925|1.476091|2.152673|0.043012|1.811708|2.115885|2.998514|2.553060|3.098342|3.129135|3.900126|4.947581|28.456141|7.541345|17.196681|0.257801|36.858105| |1.616941|1.707014|1.703682|1.756031|1.816554|1.816516|2.394645|1.828523|0.050864|1.616163|0.044359|1.587668|1.441788|1.353732|1.247032|1.211326|1.265071|1.384814|1.997813|0.039717|1.720786|1.984304|2.747404|2.296859|2.706065|2.739294|3.280132|3.880943|23.529908|5.035268|10.719031|0.192612|12.379726|36.858105| |1.762658|1.845989|1.814282|1.846474|1.915284|1.948917|2.600501|1.963974|0.053836|1.732915|0.047345|1.725704|1.557820|1.466909|1.340707|1.290411|1.342143|1.477680|2.121453|0.041782|1.902187|2.218643|3.006953|2.505675|2.983051|3.066849|3.675005|4.217812|25.165211|5.046209|10.944548|0.202362|7.748863|12.318351|36.858105| |2.026716|2.150346|2.118630|2.163661|2.247145|2.280608|3.031240|2.271644|0.062027|1.957306|0.052943|1.938643|1.734350|1.617249|1.469548|1.416199|1.482033|1.645070|2.378310|0.046726|2.139135|2.566252|3.502693|2.957255|3.726636|3.975178|5.165604|6.074868|31.807756|7.467573|17.263331|0.259600|8.002546|7.819461|12.490621|36.858105| |17.569975|8.907939|5.855176|4.319931|4.050067|4.816765|9.627654|3.851680|0.090103|3.879590|0.088672|4.438508|4.902857|4.897139|4.539320|4.233398|4.197967|4.524061|5.466059|0.098132|3.948113|3.865756|4.746371|2.850673|2.790252|3.118531|2.680681|2.284246|15.926753|1.975339|2.462971|0.049713|1.596375|1.508312|1.640180|1.861115|0.500000| |17.560405|8.899683|5.900156|4.333619|4.043656|4.783208|9.497410|3.812942|0.089078|3.535934|0.082675|3.993369|3.950379|3.838740|3.409793|3.139315|3.171665|3.543373|4.601016|0.083757|3.948720|4.262030|5.041783|3.107038|3.199016|3.792698|3.262621|2.670675|17.973224|2.279318|2.835327|0.056699|1.809523|1.711072|1.891152|2.185282|0.302475|0.500000| |17.606939|8.839130|7.198139|4.738603|3.993535|4.289004|7.797602|3.317791|0.080829|3.124924|0.073747|3.328278|3.458773|3.376535|3.225169|3.145569|3.192827|3.362629|4.352944|0.082107|3.101183|3.248441|4.145386|2.628847|2.708603|3.143616|2.819286|2.362736|15.820850|2.070165|2.550741|0.050662|1.660730|1.560930|1.690528|1.934838|0.300936|0.301062|0.500000| |6.929033|8.887435|17.745400|8.905165|5.655764|5.037787|7.773775|3.593542|0.091876|3.162356|0.075106|3.050840|3.043411|2.773473|2.660466|2.757087|2.996224|3.186975|4.475188|0.088923|2.783593|3.044049|4.254585|2.795482|2.958876|3.457284|3.154822|2.640200|17.469686|2.311708|2.742121|0.054046|1.789052|1.637875|1.737213|2.014671|0.150285|0.152079|0.219018|0.500000| |4.083917|5.654898|8.919379|17.722989|8.892368|5.674772|6.775127|4.084710|0.114017|3.363875|0.081769|2.957309|2.828074|2.459186|2.338061|2.485874|2.835481|3.091988|4.737401|0.099855|2.672741|2.994512|4.595876|3.162090|3.363664|3.758727|3.435761|2.979878|20.235169|2.591459|2.965773|0.058783|1.935904|1.723957|1.788759|2.085523|0.099470|0.099874|0.112173|0.213855|0.500000| |3.588555|5.008008|5.655741|8.873679|17.730408|8.877999|7.753616|6.937479|0.226532|4.881891|0.118972|3.786164|3.365668|2.740392|2.510315|2.658610|3.159084|3.723786|6.410309|0.138078|3.357074|3.882839|6.839211|4.710101|4.635701|4.646259|3.840161|3.451981|26.143401|2.843313|3.246249|0.066368|2.072366|1.831281|1.906165|2.226037|0.092019|0.091881|0.090714|0.123922|0.213135|0.500000| |3.817349|3.546595|2.850270|2.605430|2.798839|3.449110|5.504622|3.584493|0.084358|4.425615|0.109711|6.562493|8.719875|17.744427|9.019170|5.592645|4.820707|5.502316|5.831538|0.098134|5.987935|4.250049|4.810760|2.815327|2.496698|2.525487|2.148415|1.944091|14.546360|1.691445|2.192426|0.045624|1.428732|1.376965|1.503602|1.651836|0.127021|0.106681|0.089844|0.072050|0.063355|0.070112|0.500000| |3.321838|3.038738|2.581150|2.352046|2.431002|2.807823|4.355084|2.783077|0.068798|3.352544|0.084665|4.102543|5.630407|9.034528|17.756928|8.778454|5.584577|4.927379|5.011945|0.089928|3.515184|2.862337|3.541772|2.175892|1.983529|2.020382|1.775310|1.622269|11.961821|1.443076|1.863843|0.038482|1.236466|1.190570|1.280550|1.394695|0.113136|0.087430|0.083390|0.067520|0.058639|0.061549|0.215335|0.500000| |3.113002|3.033518|2.708810|2.530021|2.596291|2.882310|4.273552|2.802711|0.071473|3.398084|0.085736|3.688408|4.967443|5.659891|8.809867|17.721840|9.083121|5.705039|5.707972|0.108579|2.973836|2.548312|3.367908|2.093352|1.909630|1.933700|1.708627|1.571569|11.622461|1.404493|1.790447|0.036877|1.195382|1.138448|1.207714|1.318677|0.103026|0.077841|0.080383|0.071046|0.063934|0.066453|0.124080|0.215721|0.500000| |3.236461|3.496320|3.220193|3.176661|3.385107|3.700788|5.120072|3.611963|0.094337|4.544904|0.112380|4.304227|5.506257|4.821488|5.523705|8.942641|17.752208|8.762945|9.230638|0.193071|3.229919|2.848673|4.016480|2.467759|2.209445|2.204186|1.918618|1.769453|13.301019|1.564689|1.962110|0.040513|1.303670|1.223812|1.288849|1.420627|0.102028|0.079173|0.082343|0.081386|0.079730|0.087705|0.105314|0.123177|0.216838|0.500000| |3.870200|3.875883|3.064656|2.880338|3.251423|4.253346|6.628720|4.831698|0.107500|5.484781|0.136881|8.920011|6.789085|6.228738|4.334461|3.574818|3.611040|4.596281|5.872682|0.098219|17.604153|8.747941|7.640031|4.159496|3.521291|3.485244|2.808039|2.515212|19.347248|2.111098|2.743449|0.057840|1.738633|1.670374|1.859311|2.076430|0.115116|0.116170|0.088452|0.075013|0.068908|0.081577|0.204921|0.106092|0.083282|0.084652|0.500000| |3.101045|3.313506|2.770619|2.748518|3.236216|4.159777|5.743974|5.442077|0.125404|6.547345|0.189129|9.114835|6.006009|4.904457|3.681994|3.258822|3.460864|4.514399|6.299696|0.106515|17.524322|8.830152|9.220166|4.991089|3.792914|3.460535|2.770058|2.573625|20.995715|2.151000|2.798034|0.060064|1.773163|1.691744|1.862676|2.066758|0.089972|0.089603|0.073241|0.067459|0.066685|0.084761|0.143521|0.089502|0.076686|0.083277|0.301792|0.500000| |4.847997|5.409762|4.126479|3.892012|4.531440|6.384639|10.163595|6.686148|0.138735|5.567500|0.130483|6.613408|4.913468|4.136549|3.280687|2.981477|3.183281|4.024056|5.753583|0.099847|8.852403|17.616857|12.225205|6.181058|5.625277|6.063685|4.286392|3.558341|26.756406|2.800099|3.510404|0.073278|2.143023|2.010520|2.263827|2.653783|0.127317|0.152655|0.107129|0.096403|0.089563|0.108882|0.118454|0.080860|0.071357|0.078287|0.220454|0.174899|0.500000| |3.359419|3.663205|3.072060|3.050297|3.587968|4.593367|6.321241|5.624777|0.128902|4.953802|0.131480|5.623415|4.117277|3.535501|2.842967|2.589780|2.752335|3.421994|4.979514|0.088603|8.881878|17.611986|12.577642|7.543679|5.992485|5.420070|4.008117|3.605450|29.585409|2.843803|3.691708|0.079737|2.236818|2.119985|2.407082|2.771592|0.090868|0.102387|0.079153|0.074259|0.073513|0.092947|0.103452|0.071238|0.062829|0.068648|0.205351|0.223114|0.302838|0.500000| |2.698231|3.093069|2.809720|3.000690|3.681233|4.314865|5.177265|5.713240|0.154617|4.551645|0.132356|4.222851|3.248171|2.737182|2.324540|2.228885|2.442933|2.981833|4.645588|0.087534|5.081091|7.148691|12.614062|17.549591|8.978397|5.846830|4.392739|4.398751|45.113490|3.358057|4.273685|0.096198|2.552107|2.338904|2.577933|2.981531|0.072051|0.078466|0.066059|0.068020|0.074530|0.103434|0.076410|0.058363|0.055063|0.063252|0.115914|0.146399|0.154314|0.231434|0.500000| |2.741926|3.305005|3.123048|3.548897|4.666699|5.192815|5.572069|7.320473|0.242804|5.136104|0.149844|4.163471|3.268199|2.672258|2.319502|2.303489|2.608702|3.198943|5.304974|0.103882|4.363603|5.655757|12.598882|17.569973|8.953005|5.785576|4.363830|4.390887|45.605140|3.364077|4.041611|0.088868|2.464418|2.193627|2.334565|2.714168|0.072807|0.076943|0.067638|0.074262|0.088486|0.141387|0.071995|0.057582|0.056998|0.068987|0.099015|0.121000|0.132117|0.150645|0.305521|0.500000| |4.398348|5.456486|4.874195|4.927378|5.606206|6.512012|8.632664|5.678510|0.136553|4.073266|0.099665|3.964118|3.299155|2.850825|2.465947|2.374754|2.581160|3.076428|4.621700|0.086831|4.316531|6.356793|8.991058|6.468313|8.916842|17.784644|8.619710|5.727054|37.716189|4.037981|4.643937|0.093832|2.712911|2.433789|2.726908|3.428143|0.104766|0.133660|0.105267|0.112850|0.114357|0.135332|0.078732|0.062083|0.058903|0.066860|0.109571|0.102939|0.217469|0.159722|0.144509|0.142790|0.500000| |3.127521|3.528376|3.575924|3.666011|3.707867|3.655630|4.844802|3.308845|0.088167|2.647093|0.068225|2.571007|2.278323|2.067570|1.864548|1.815498|1.935524|2.185063|3.211376|0.062776|2.751856|3.503501|4.926172|3.992760|5.718951|8.602498|17.724808|8.911329|37.685242|6.647151|6.806040|0.123366|3.780042|3.230068|3.624671|5.101935|0.075277|0.093911|0.082186|0.092095|0.095760|0.097589|0.057534|0.048258|0.046392|0.051414|0.072934|0.069923|0.108323|0.097300|0.099481|0.098874|0.203114|0.500000| |2.018357|2.260073|2.333880|2.546493|2.696096|2.571288|3.208787|2.559217|0.073749|2.128384|0.057969|1.993043|1.776634|1.610811|1.476620|1.461837|1.569040|1.746258|2.609342|0.052568|2.104643|2.526243|3.773678|3.345368|4.360198|4.337213|5.751955|8.876372|45.195761|17.606033|12.435459|0.219742|7.240118|4.652960|4.304895|5.558311|0.051419|0.058080|0.053643|0.060841|0.070384|0.078294|0.044539|0.038413|0.037823|0.042506|0.054784|0.056651|0.070875|0.072423|0.088299|0.091935|0.098443|0.142375|0.500000| |2.203393|2.432832|2.518170|2.670281|2.728728|2.615744|3.367196|2.508619|0.070150|2.090962|0.055872|1.999583|1.797121|1.646805|1.510394|1.485474|1.580534|1.751583|2.579552|0.051497|2.120805|2.559514|3.690234|3.130039|4.151213|4.648147|7.048107|8.939211|36.328622|17.631747|12.405357|0.181904|6.837198|4.788291|4.775049|7.010324|0.055213|0.064290|0.059102|0.066568|0.073513|0.076455|0.045769|0.039455|0.038469|0.042606|0.056106|0.056081|0.074255|0.073010|0.081954|0.082733|0.108125|0.203646|0.301667|0.500000| |1.639799|1.773243|1.797821|1.903631|1.992936|1.952331|2.505992|1.977195|0.056270|1.721394|0.047523|1.649916|1.490200|1.378623|1.271702|1.249643|1.321517|1.451790|2.128207|0.042750|1.761718|2.043637|2.937115|2.523211|3.007398|2.945794|3.552856|4.569312|28.403011|6.602962|12.237367|0.231805|17.643016|8.581265|5.766903|5.776685|0.042464|0.047490|0.043868|0.047627|0.052477|0.057089|0.038519|0.033472|0.032582|0.035763|0.046664|0.048245|0.056827|0.059852|0.070248|0.068916|0.070880|0.093445|0.204531|0.158092|0.500000| |1.732889|1.861641|1.904184|1.994144|2.040100|1.983982|2.581733|1.955359|0.054963|1.696535|0.046160|1.638668|1.491110|1.387222|1.283527|1.260106|1.327555|1.451935|2.113987|0.042368|1.742787|2.027463|2.874881|2.410089|2.929461|3.039912|3.856667|4.702838|25.924664|7.347528|12.402944|0.182834|17.629157|8.698483|6.175824|6.825032|0.044392|0.050411|0.046804|0.051017|0.055248|0.057601|0.038778|0.033863|0.032914|0.035906|0.046577|0.047041|0.057622|0.058761|0.065839|0.064837|0.074117|0.107945|0.197878|0.216869|0.301190|0.500000| |1.514647|1.598222|1.590149|1.643336|1.711005|1.716344|2.255247|1.747541|0.048827|1.557805|0.043088|1.528736|1.388809|1.304944|1.203230|1.169211|1.220629|1.334677|1.925698|0.038342|1.657437|1.893407|2.627675|2.201280|2.535623|2.507915|2.908047|3.437201|22.134831|4.252058|8.419850|0.171390|8.751099|17.622336|8.720352|5.825573|0.039530|0.044361|0.040534|0.042383|0.044804|0.048155|0.036885|0.031939|0.030556|0.032830|0.044626|0.045667|0.052720|0.056402|0.062986|0.058870|0.062151|0.078243|0.114123|0.109278|0.221436|0.177113|0.500000| |1.548042|1.623126|1.628562|1.670010|1.707833|1.699041|2.253646|1.693564|0.047027|1.506682|0.041216|1.483807|1.358947|1.283034|1.188552|1.156105|1.203606|1.308916|1.879259|0.037430|1.597035|1.823707|2.514200|2.067549|2.411654|2.477721|2.952979|3.370181|20.306757|4.303771|8.028976|0.141654|8.824878|17.623119|8.697463|6.191704|0.040100|0.045424|0.041827|0.043863|0.045799|0.047675|0.036230|0.031625|0.030296|0.032411|0.043291|0.043472|0.051659|0.053648|0.058034|0.055024|0.062177|0.082890|0.111897|0.120737|0.185154|0.226855|0.303828|0.500000| |1.729589|1.809714|1.761112|1.793137|1.880691|1.935113|2.578700|1.982135|0.054301|1.760338|0.048457|1.759610|1.580389|1.488213|1.354583|1.298933|1.349718|1.490945|2.139980|0.042030|1.959693|2.279772|3.074300|2.579185|3.011594|3.009119|3.465181|3.984026|25.465615|4.468669|9.196534|0.198741|6.170882|8.731961|17.579351|8.848716|0.045038|0.051588|0.045766|0.046571|0.047968|0.052083|0.042535|0.035939|0.033708|0.035909|0.053173|0.053836|0.063786|0.069770|0.075329|0.066530|0.074316|0.092259|0.108795|0.112823|0.143074|0.135122|0.226148|0.177181|0.500000| 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