Version2.1 2021-01-07T18:26:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN(CC)S(=O)(=O)c1cccc(c1)NC(=O)C[NH+]2CCn3cccc3[C@H]2c4ccccc4 C30588909 RHF 6-31G(d) (6D,7F) CCN(CC)S(=O)(=O)c1cccc(c1)NC(=O)C[NH+]2CCn3cccc3[C@H]2c4ccccc4 C01[X(C25H31N4O3S1)] 186 C1 561 CCN(S(=O)(=O)c1cccc(c1)NC(=O)C[NH+]1CCn2c([C@H]1c1ccccc1)ccc2)CC CCN(S(=O)(=O)c1cccc(c1)NC(=O)C[NH+]1CCn2c([C@H]1c1ccccc1)ccc2)CC CCN(CC)[S](=O)(=O)c1cccc(NC(=O)C[NH+]2CCn3cccc3[C@H]2c4ccccc4)c1 InChIKey=BTIMDKMXNSZDGA-RUZDIDTESA-O InChI=1S/C25H30N4O3S/c1-3-29(4-2)33(31,32)22-13-8-12-21(18-22)26-24(30)19-28-17-16-27-15-9-14-23(27)25(28)20-10-6-5-7-11-20/h5-15,18,25H,3-4,16-17,19H2,1-2H3,(H,26,30)/p+1/t25-/m1/s1 InChI=1/C25H30N4O3S/c1-3-29(4-2)33(31,32)22-13-8-12-21(18-22)26-24(30)19-28-17-16-27-15-9-14-23(27)25(28)20-10-6-5-7-11-20/h5-15,18,25H,3-4,16-17,19H2,1-2H3,(H,26,30)/p+1/t25-/m1/s1/fC25H31N4O3S/h26,28H/q+1 CCN(CC)S(=O)(=O)c1cccc(c1)NC(=O)C[NH+]2CCn3cccc3[C@H]2c4ccccc4 C01[X(C25H31N4O3S1)] 186 C01 561 CCN(S(=O)(=O)c1cccc(c1)NC(=O)C[NH+]1CCn2c([C@H]1c1ccccc1)ccc2)CC CCN(S(=O)(=O)[C]1[CH][CH][CH][C]([CH]1)[NH][C](=O)C[NH]1CCN2C(=[CH][CH]=C2)[C@H]1[C]1[CH][CH][CH][CH][CH]1)CC CCN(CC)[S](=O)(=O)[C]1[CH][CH][CH][C]([CH]1)NC(=O)C[NH]2CCn3cccc3[C@H]2[C]4[CH][CH][CH][CH][CH]4 InChIKey=ZMECSIFBTUBKLN-RUZDIDTESA-N InChI=1S/C25H31N4O3S/c1-3-29(4-2)33(31,32)22-13-8-12-21(18-22)26-24(30)19-28-17-16-27-15-9-14-23(27)25(28)20-10-6-5-7-11-20/h5-15,18,25,28H,3-4,16-17,19H2,1-2H3,(H,26,30)/t25-/m1/s1 InChI=1/C25H31N4O3S/c1-3-29(4-2)33(31,32)22-13-8-12-21(18-22)26-24(30)19-28-17-16-27-15-9-14-23(27)25(28)20-10-6-5-7-11-20/h5-15,18,25,28H,3-4,16-17,19H2,1-2H3,(H,26,30)/t25-/m1/s1/f/h26H 3496.2555297572 -1804.3755787 1-A 25964.4658 124 437 561 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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| 1.0109 6.7220 18.5478 26.1971 30.2785 54.5054 55.3557 57.9050 64.7529 69.1853 82.3810 92.4253 96.9518 100.0803 138.9325 147.7459 160.0885 185.8102 213.4353 227.9984 234.4765 253.0939 260.8970 277.3377 286.4752 290.6344 312.1805 315.9078 323.6467 340.2426 373.2048 377.0614 397.3279 425.5655 434.1013 454.4614 459.3167 486.6420 501.1201 507.2862 545.1589 565.8141 577.9633 583.7172 591.8566 642.0813 652.4807 656.0446 665.1131 666.2934 674.6662 676.5792 691.9081 734.1157 752.7870 762.1963 777.0152 783.7771 822.8340 842.5580 845.8316 846.6832 850.6196 889.5788 902.8734 906.0673 943.9747 959.6685 960.5205 962.7822 985.8318 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3352.6647 3358.2587 3363.7536 3383.2663 3388.5544 3394.2288 3394.5450 3405.2098 3415.7369 3435.7332 3445.6045 3459.7122 3459.8216 3629.2916 3847.0191 5.4030 4.0000 5.0415 4.3413 4.3576 3.8929 5.3470 3.8091 6.0465 4.9416 2.7261 4.5012 3.6525 3.2655 4.3795 4.9025 3.6754 5.4755 3.8373 1.1322 1.4036 3.6425 4.2971 4.0039 4.1670 3.2688 3.5235 3.8360 3.4719 2.9452 3.4180 7.8569 2.5451 4.8405 3.2272 2.9563 3.8645 3.4953 4.4910 4.5550 3.7822 4.4199 3.4822 3.0536 2.0529 6.8780 4.0636 2.2312 3.5573 3.3829 5.4341 6.2578 4.6417 4.8285 2.9895 2.6229 2.1721 4.2086 4.6638 1.6728 1.1520 1.2573 1.2223 2.9372 1.4566 2.9545 3.2843 1.3493 1.9018 2.2062 4.3212 2.9579 2.1673 2.5024 1.4484 1.3784 2.2397 1.4089 1.6651 3.1440 5.8930 5.8078 2.2354 1.3768 2.5451 1.6200 1.3527 2.0084 1.3508 2.6708 3.4163 2.0253 1.7732 2.0516 1.8935 2.1363 1.5961 1.7553 2.1177 3.9431 2.0883 2.3979 3.1246 1.1907 1.8013 2.0190 1.4365 1.9705 1.8846 1.6341 1.9253 1.4101 1.4360 1.4698 1.7473 1.8739 1.4108 1.2873 1.6182 2.0296 2.9774 1.5841 1.6316 1.3042 1.2872 1.2930 1.2578 1.3602 1.5347 1.3063 1.2741 2.1718 2.1551 4.2471 1.9077 1.2457 1.0499 1.1105 1.0548 1.5663 1.0503 1.0492 1.6562 1.0817 1.7453 1.2565 1.3693 1.8565 2.3819 5.0553 5.0851 4.3797 5.0894 4.3556 8.4704 1.0364 1.0385 1.0697 1.0866 1.0715 1.0756 1.1030 1.1022 1.0647 1.0966 1.0653 1.0942 1.0992 1.1006 1.0992 1.1071 1.1093 1.0909 1.0906 1.0912 1.0913 1.0925 1.0953 1.0990 1.0953 1.0913 1.0980 1.1073 1.0938 1.0772 1.0786 0.0000 0.0001 0.0010 0.0018 0.0024 0.0068 0.0097 0.0075 0.0149 0.0139 0.0109 0.0227 0.0202 0.0193 0.0498 0.0631 0.0555 0.1114 0.1030 0.0347 0.0455 0.1375 0.1723 0.1814 0.2015 0.1627 0.2023 0.2256 0.2143 0.2009 0.2805 0.6581 0.2367 0.5165 0.3583 0.3597 0.4804 0.4877 0.6645 0.6906 0.6623 0.8337 0.6853 0.6130 0.4237 1.6707 1.0193 0.5658 0.9272 0.8848 1.4573 1.6878 1.3093 1.5332 0.9981 0.8978 0.7727 1.5233 1.8604 0.6997 0.4856 0.5311 0.5211 1.3695 0.6996 1.4291 1.7243 0.7321 1.0338 1.2049 2.4743 1.7178 1.3000 1.5273 0.8975 0.8613 1.4408 0.9203 1.1031 2.0993 4.1138 4.0687 1.5875 1.0035 1.8710 1.2094 1.0173 1.5125 1.0490 2.0803 2.7621 1.6776 1.4829 1.7332 1.6094 1.8337 1.3803 1.5270 1.8540 3.5158 1.8686 2.2404 2.9463 1.1984 1.8201 2.0750 1.4909 2.0492 1.9684 1.7516 2.0722 1.5402 1.6234 1.7043 2.0751 2.2762 1.7475 1.5981 2.0291 2.5639 3.7917 2.0939 2.1862 1.7641 1.7466 1.7801 1.7615 1.9275 2.2073 1.9008 1.8602 3.2024 3.2192 6.3695 2.9666 1.9462 1.6493 1.7482 1.6610 2.4709 1.6593 1.6675 2.6522 1.7399 2.8285 2.0397 2.2507 3.0539 4.3055 9.2229 9.5517 8.3326 9.7626 8.4289 18.7827 6.2944 6.3233 6.5258 6.7388 6.6650 6.7249 6.9601 6.9677 6.7337 6.9507 6.7593 6.9966 7.0812 7.1811 7.2058 7.2887 7.3464 7.2491 7.2702 7.3589 7.3827 7.4159 7.4362 7.5083 7.5289 7.5901 7.6806 7.8090 7.7144 8.3596 9.4054 1.1345 0.3460 0.3890 0.3039 1.9654 0.5647 5.1686 0.9134 2.7544 0.2187 2.0598 4.6225 4.1439 3.1182 0.8131 1.4135 11.0666 0.7717 0.5901 0.2200 0.5771 1.1122 0.7282 2.5136 8.3125 7.0708 17.6322 1.1390 4.0208 1.4274 1.7596 8.5011 7.3065 5.5805 5.7382 0.8111 4.6368 1.7895 5.8432 35.0698 57.3959 2.4829 15.3177 39.7509 27.0570 140.0831 6.7933 43.2748 9.3027 1.7021 6.3389 1.0216 5.3910 15.7837 24.3701 33.2006 15.8313 186.8539 20.2680 34.9990 2.8759 50.5118 53.1817 51.2413 17.3321 26.5790 17.2784 1.4483 13.8388 7.2503 17.7177 60.0194 2.7614 97.4320 11.8206 0.1981 26.9510 3.1655 3.3196 23.1418 1.3152 6.0137 4.7968 0.2062 177.1380 2.2010 0.2065 0.2736 0.0678 7.5069 34.6009 30.5496 2.6922 32.4407 3.3467 3.6887 2.5894 33.7325 9.2514 63.6468 5.2605 30.1689 151.6964 3.7936 2.3789 6.2390 45.9054 34.2301 1.3116 9.1106 59.0301 12.8656 14.8838 37.9733 186.5859 19.9148 11.5768 14.3112 43.2998 220.9279 78.6770 18.2839 197.9568 38.4024 40.9586 5.5935 9.5603 62.9781 101.3092 16.4938 20.4639 70.2080 24.1219 20.1604 23.4008 129.0241 0.6425 7.5775 0.3791 36.2860 1.7624 2.3451 25.6608 7.6173 86.9506 23.8885 7.0533 6.8779 501.3755 3.0265 1.8919 6.6407 1.8415 172.9927 315.2317 16.9308 26.6972 27.7064 10.2328 20.6763 9.8914 8.8646 57.2165 3.8164 68.0035 8.5884 12.0336 14.6749 27.6099 11.6265 6.6519 3.6760 6.8420 6.8591 1.5931 5.5962 5.9534 10.1787 7.1150 1.4819 2.1072 1.2251 0.4886 1.2320 86.5680 46.6806 1.1061 0.3939 2.7212 0.8002 0.2636 2.7946 2.3280 5.0813 0.8327 3.8966 0.5489 3.4939 3.0594 2.7420 1.8649 2.7320 1.0564 4.3399 0.7498 0.1393 0.2807 1.0226 2.3188 1.1745 1.0194 5.3761 1.4811 1.3130 0.4563 1.0236 3.4556 2.1797 1.0492 0.6711 1.3055 0.4239 3.4456 0.0570 0.3045 2.7612 0.6363 1.2123 1.8812 2.7441 2.1628 1.9245 2.1344 1.1559 0.8879 1.6976 2.3413 5.0378 1.4461 7.8065 9.4302 3.8263 0.8477 1.3545 3.4886 1.8969 0.9872 1.5375 0.9404 9.9966 1.1521 5.4178 4.5290 2.4227 5.7593 3.3255 4.0868 1.8176 5.0689 5.7668 1.5694 2.3891 2.7927 2.0644 3.7393 8.3383 51.0331 26.0180 3.1786 0.1456 7.2150 6.0485 0.6150 8.7796 0.0724 3.2886 12.1749 1.8702 0.5435 2.1542 6.9760 0.7635 11.8690 0.9314 6.3640 10.0619 4.3457 9.6736 4.4574 7.6698 21.4070 17.7011 3.0644 5.2627 1.6297 8.4977 3.2601 5.6885 45.9769 3.4817 24.4052 12.7904 0.8162 3.9036 1.9178 4.6703 1.9580 5.2953 11.4014 9.5910 3.0801 4.3185 1.5980 4.9596 3.7343 2.5751 1.3869 4.4443 2.4499 86.6417 2.2618 6.0620 18.5284 14.2110 4.3718 14.2387 28.8337 29.0912 44.2678 1.3383 8.8005 5.0329 16.8643 6.2942 24.1399 9.7202 8.2605 52.7514 32.9768 29.5773 43.1168 114.6390 91.0576 87.6294 42.7674 55.5056 163.2003 48.3963 114.3952 15.2686 52.7006 97.2525 124.5868 56.4746 13.7996 23.3807 39.8086 68.8241 43.9291 33.6196 81.2776 70.5536 41.1095 58.0609 245.4617 94.0761 82.2932 31.8300 192.3638 58.6230 23.2621 41.2991 0.7462 0.7496 0.7409 0.7382 0.6666 0.7301 0.7414 0.7492 0.7497 0.7496 0.7429 0.6870 0.7495 0.7011 0.5718 0.7383 0.5635 0.3921 0.1428 0.4980 0.6776 0.3582 0.7498 0.7479 0.3170 0.7072 0.3945 0.5490 0.3354 0.3328 0.1959 0.3246 0.5128 0.5571 0.1875 0.3984 0.1512 0.5233 0.4075 0.5451 0.4698 0.6738 0.5530 0.7354 0.6434 0.4477 0.6656 0.0985 0.7301 0.3196 0.4045 0.6352 0.4261 0.1114 0.3201 0.0305 0.6929 0.6559 0.7497 0.6345 0.7492 0.7481 0.6507 0.0249 0.7050 0.6811 0.2213 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0.8071 0.6305 0.7045 0.7478 0.6837 0.5979 0.7037 0.7777 0.6495 0.3966 0.8499 0.2049 0.3114 0.8506 0.8328 0.2327 0.3741 0.2379 0.2222 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 7 6 6 16 8 8 6 6 6 6 6 6 7 6 8 6 7 1 6 6 7 6 6 6 6 6 1 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 6579.1918 42271.1644 45323.7571 0.99998 -0.00558 0.00172 0.00560 0.99995 -0.00823 -0.00167 0.00824 0.99996 1 0.01316 0.00205 0.00191 0.27431 0.04269 0.03982 1.45 9.67 26.69 37.69 43.56 78.42 79.64 83.31 93.17 99.54 118.53 132.98 139.49 143.99 199.89 212.57 230.33 267.34 307.09 328.04 337.36 364.15 375.37 399.03 412.17 418.16 449.16 454.52 465.66 489.53 536.96 542.51 571.67 612.29 624.57 653.87 660.85 700.17 721.00 729.87 784.36 814.08 831.56 839.84 851.55 923.81 938.77 943.90 956.95 958.65 970.69 973.45 995.50 1056.23 1083.09 1096.63 1117.95 1127.68 1183.87 1212.25 1216.96 1218.19 1223.85 1279.91 1299.03 1303.63 1358.17 1380.75 1381.97 1385.23 1418.39 1428.44 1451.71 1464.36 1475.49 1481.64 1503.37 1514.93 1525.66 1531.66 1566.12 1568.88 1579.61 1600.32 1607.15 1619.56 1625.55 1626.62 1651.81 1654.30 1685.43 1705.96 1714.12 1722.88 1728.09 1736.61 1743.07 1748.25 1753.87 1769.97 1773.08 1811.81 1820.17 1880.50 1884.18 1900.26 1909.60 1911.49 1915.67 1940.64 1944.64 1958.96 1992.96 2018.44 2042.70 2065.87 2086.10 2088.50 2098.91 2106.76 2115.26 2155.04 2169.74 2180.02 2183.45 2199.34 2218.27 2231.34 2247.97 2261.07 2264.86 2276.11 2290.90 2295.48 2337.47 2342.91 2349.33 2351.82 2352.22 2354.29 2356.03 2363.07 2372.02 2377.26 2386.27 2388.21 2403.18 2404.07 2520.09 2531.79 2568.98 2585.44 2596.07 2607.54 2791.23 4619.25 4625.34 4629.72 4667.84 4674.91 4686.84 4708.57 4712.83 4714.01 4719.11 4721.53 4739.89 4757.59 4788.00 4799.23 4809.38 4823.74 4831.79 4839.69 4867.77 4875.37 4883.54 4883.99 4899.34 4914.48 4943.25 4957.46 4977.75 4977.91 5221.74 5535.00 0.578657 0.607788 0.608732 0.510332 -1803.796922 -1803.767791 -1803.766847 -1803.865246 3.300319D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE CCN(CC)S(=O)(=O)c1cccc(c1)NC(=O)C[NH+]2CCn3cccc3[C@H]2c4ccccc4 C30588909 RHF 6-31G(d) (6D,10F) C1 467.211688 |X|Y|Z| 52.942709 34.103737 148.318433 64.456654 24 6 7 21 3 |36.858105| |12.484355|36.858105| |7.611948|12.987779|53.358707| |5.736897|7.555739|17.610619|36.858105| |4.317089|5.775801|10.360554|12.501868|36.858105| |5.260926|7.088375|16.012912|7.095978|5.438032|388.023441| |3.961260|5.001707|10.545773|6.776795|5.754268|94.859938|73.516695| |4.827979|6.569467|10.450933|5.040544|4.407226|94.611733|13.587312|73.516695| |5.025186|5.355813|9.455155|5.148973|3.881568|75.905041|13.133602|13.202179|36.858105| |4.337702|4.347038|7.637086|4.917089|3.664530|49.092351|11.168228|8.800567|13.733888|36.858105| |3.696240|3.497256|5.576529|3.704883|2.919177|33.557079|7.764452|6.853018|7.993866|13.794369|36.858105| |3.521164|3.270846|4.905014|3.143604|2.559491|29.735958|6.587618|6.630299|6.874012|7.892639|13.723293|36.858105| |3.851876|3.639928|5.304604|3.205424|2.633839|33.615614|6.953774|8.029867|7.957819|6.856755|7.969393|13.749413|36.858105| |4.623960|4.658219|7.014017|3.905984|3.147275|49.599365|9.101707|11.948632|13.804229|7.917433|6.901577|7.917407|13.719896|36.858105| |3.327571|3.132324|4.340392|2.661094|2.268312|26.526803|5.601571|6.837910|5.200397|4.534811|5.113426|7.686346|13.367764|7.984948|53.358707| |2.773880|2.591786|3.576408|2.273372|1.971277|21.182357|4.664800|5.396194|3.916957|3.677876|4.315738|6.276947|7.654438|5.195105|19.425648|36.858105| |2.563147|2.378448|3.325472|2.168011|1.878599|19.402187|4.385424|4.790000|3.588712|3.585397|4.444760|6.481544|6.438397|4.421445|11.405227|15.836019|73.516695| |2.448898|2.315452|3.127768|1.998701|1.773692|18.275419|4.055549|4.814822|3.143117|2.901153|3.224284|4.193397|5.011373|4.013538|10.744808|12.433460|14.381110|36.858105| |2.129264|2.000045|2.706521|1.770691|1.583391|15.488141|3.513066|4.002272|2.615780|2.504922|2.822565|3.551358|3.870347|3.157694|7.106631|7.815385|13.076235|12.825700|53.358707| |2.093356|1.969122|2.703160|1.782857|1.588589|15.544747|3.565587|3.950590|2.664609|2.608231|3.010164|3.828583|3.994014|3.176186|7.056122|8.099702|16.431822|9.529275|25.584062|0.500000| |2.149196|1.973343|2.628548|1.730209|1.543216|14.637558|3.301630|3.751390|2.451380|2.369145|2.666903|3.292453|3.504692|2.904259|6.107498|6.077317|10.741774|7.737839|17.270832|0.259522|36.858105| |1.884262|1.735963|2.329291|1.561497|1.402579|12.858120|2.952420|3.254029|2.125288|2.101071|2.373587|2.837505|2.885302|2.433945|4.690694|4.421912|8.551432|5.030724|10.471142|0.204461|12.568388|36.858105| |1.691850|1.584466|2.132872|1.434631|1.303273|11.846567|2.745980|3.022853|1.923668|1.891507|2.104272|2.470762|2.535133|2.187786|4.092640|3.754716|7.038901|4.486299|9.276728|0.177995|7.893309|13.223678|53.358707| |1.517450|1.426563|1.923731|1.307317|1.195939|10.615135|2.484440|2.697098|1.700854|1.685420|1.862642|2.137122|2.162816|1.899084|3.381836|2.984075|5.629039|3.405017|6.277685|0.126201|5.111563|7.634842|18.978532|36.858105| |1.422186|1.352523|1.831619|1.246292|1.147807|10.172783|2.396758|2.596953|1.615148|1.594936|1.747818|1.989429|2.024469|1.797503|3.152561|2.743768|5.101502|3.161905|5.630387|0.113553|4.155725|5.307161|11.715370|14.057838|36.858105| |1.500457|1.436437|1.949879|1.316342|1.211483|10.957846|2.574999|2.819935|1.746093|1.707862|1.868532|2.151627|2.224607|1.967845|3.537728|3.124417|5.698235|3.766611|6.891231|0.136080|4.595080|5.315197|11.693314|8.518486|13.381539|36.858105| |1.676703|1.592260|2.154580|1.442081|1.315628|12.137041|2.820943|3.126931|1.964155|1.912128|2.111471|2.486941|2.597033|2.252050|4.261528|3.928072|7.134201|4.994384|10.548424|0.196087|6.777950|7.677954|18.852753|8.568716|8.512526|14.032605|36.858105| |1.856252|1.772248|2.396695|1.581092|1.436943|13.699065|3.150172|3.577027|2.236016|2.135489|2.347945|2.826590|3.062790|2.633836|5.295944|5.038107|8.498358|7.516677|16.913455|0.252706|7.626683|6.360454|10.330894|5.216453|5.128578|7.356655|12.678392|36.858105| |1.874472|1.790268|2.391821|1.569669|1.432287|13.591053|3.100742|3.595733|2.185816|2.058156|2.225443|2.652575|2.934417|2.583540|5.091145|4.592056|7.378088|7.077727|12.506499|0.181328|7.064499|5.567146|8.720429|4.658403|4.566962|6.139424|8.905881|17.573568|0.500000| |1.784683|1.736815|2.381055|1.572643|1.438640|13.856662|3.226863|3.634653|2.246274|2.139715|2.333045|2.777934|3.017308|2.632400|5.108600|4.654808|7.811740|6.361654|10.322924|0.195526|4.962495|4.389750|6.869581|4.033689|4.288957|6.168003|7.532096|12.584038|0.248194|36.858105| |1.746862|1.723574|2.353423|1.547665|1.429711|13.761883|3.204775|3.678792|2.178146|2.038862|2.169063|2.534343|2.813726|2.548093|4.702083|3.974371|6.395547|5.329723|7.345304|0.135240|3.961751|3.465882|5.295579|3.278884|3.525251|4.768420|5.267733|7.593565|0.206559|13.719419|36.858105| |1.653668|1.655681|2.285580|1.511394|1.408022|13.494180|3.191095|3.609681|2.105708|1.975114|2.079037|2.381096|2.619280|2.421529|4.205689|3.409918|5.586606|4.151033|5.518321|0.107946|3.136039|2.830834|4.246199|2.748720|2.986395|3.842443|3.982513|5.025936|0.134050|7.908960|13.732728|36.858105| |1.602515|1.606915|2.248470|1.500440|1.396513|13.340115|3.202645|3.508675|2.098129|2.002289|2.127916|2.421406|2.596254|2.377551|4.056587|3.309363|5.634196|3.773897|5.133396|0.106414|2.929756|2.721678|4.054210|2.669806|2.912896|3.678519|3.734370|4.437307|0.111345|6.853914|7.943045|13.768375|36.858105| |1.631069|1.617207|2.272076|1.522916|1.404630|13.424336|3.224468|3.469676|2.158465|2.097330|2.281855|2.630762|2.752949|2.445045|4.307562|3.670982|6.530033|4.089983|5.889948|0.129294|3.270334|3.104845|4.642241|3.031847|3.301257|4.218305|4.330659|5.013247|0.116614|7.918506|6.878559|7.935000|13.720928|36.858105| |1.717894|1.678031|2.335455|1.558091|1.424558|13.666945|3.234050|3.525510|2.232606|2.170317|2.397867|2.835377|2.973907|2.570041|4.831021|4.389284|7.911352|5.180644|8.263770|0.185812|4.233467|4.003686|6.126551|3.794833|4.082557|5.557636|6.160843|7.525926|0.155258|13.676640|7.933153|6.867302|7.934284|13.780089|36.858105| |17.564644|8.765294|9.370331|6.138236|4.449418|33.287829|6.705797|7.222736|4.582901|4.298636|3.694718|3.395687|3.524175|4.053736|4.103087|2.575521|4.333698|2.259945|2.725541|0.055213|2.033407|1.810570|2.208953|1.465736|1.371336|1.436661|1.598129|1.748444|0.048701|1.680387|1.633361|1.550610|1.514896|1.551753|1.632527|0.500000| |17.564462|8.780232|9.232477|4.998967|3.762759|38.876322|7.123132|8.957174|5.992770|5.015076|4.357100|4.280189|4.822129|5.816200|5.529935|3.284390|5.329417|2.825708|3.288313|0.065969|2.437064|2.103030|2.541096|1.656651|1.544577|1.636778|1.848731|2.065628|0.057768|1.974038|1.916942|1.799537|1.742137|1.784084|1.895366|0.301613|0.500000| |17.547290|8.850602|7.566985|4.506006|3.709729|29.907708|5.870508|7.349578|4.018343|3.516757|3.126127|3.071058|3.380156|3.912167|4.172766|2.607921|4.268115|2.363339|2.816584|0.055933|2.115488|1.855115|2.271016|1.499784|1.403567|1.476034|1.647343|1.817660|0.051474|1.733459|1.704252|1.605343|1.543454|1.564533|1.653482|0.301754|0.301093|0.500000| |8.852947|17.592623|12.573065|7.346591|6.484892|39.170121|7.775811|9.279787|4.189993|3.603986|2.975812|2.775448|3.017640|3.694309|3.622090|2.261076|3.728084|2.053794|2.451868|0.049254|1.785748|1.589017|1.986869|1.324878|1.259565|1.331428|1.464623|1.615928|0.045434|1.585353|1.579053|1.523550|1.479647|1.484457|1.533775|0.209571|0.173017|0.214698|0.500000| |8.822969|17.662027|12.468786|5.660846|4.817068|49.973996|8.540518|14.331532|5.230346|4.029504|3.310824|3.212768|3.729158|4.899251|4.494774|2.696868|4.311250|2.447911|2.835320|0.056437|2.038545|1.774694|2.216574|1.459962|1.389027|1.485038|1.648997|1.854459|0.052438|1.823600|1.828868|1.756453|1.689163|1.684544|1.745699|0.172630|0.210899|0.211802|0.305263|0.500000| |4.756682|5.637366|12.394263|17.659209|8.881611|49.091975|13.577449|8.290929|5.474756|5.732050|4.160532|3.364868|3.315838|3.969519|3.670394|2.316370|3.977621|2.010727|2.435622|0.050527|1.737952|1.576848|1.971716|1.321393|1.260853|1.331767|1.457383|1.594213|0.043617|1.593877|1.559538|1.528997|1.531962|1.564275|1.594993|0.142829|0.123765|0.105689|0.145928|0.127238|0.500000| |6.426113|7.327781|12.579905|17.587586|8.823609|38.686530|8.873534|7.463292|4.518477|4.470729|3.544242|3.033583|3.049607|3.589542|3.484916|2.212268|3.776771|1.947702|2.369016|0.048623|1.723661|1.561532|1.941782|1.302514|1.235402|1.297085|1.422304|1.549330|0.042777|1.525771|1.493798|1.448859|1.435432|1.463454|1.507963|0.216921|0.147243|0.139343|0.208354|0.145949|0.304332|0.500000| |4.468306|6.200766|9.374932|8.774396|17.562171|34.451129|8.419590|7.597868|3.514827|3.232745|2.644754|2.382241|2.491194|2.969465|2.978703|1.905451|3.206203|1.735761|2.108211|0.042864|1.517302|1.376169|1.742860|1.175553|1.128041|1.189777|1.291587|1.411029|0.039319|1.407065|1.404940|1.379679|1.358614|1.360306|1.382990|0.124863|0.104503|0.110564|0.220145|0.145183|0.173228|0.209117|0.500000| |3.774987|5.048920|9.278393|8.835336|17.603283|41.140118|12.125115|8.427973|3.922931|3.644831|2.886880|2.541101|2.634962|3.177298|3.094848|1.972984|3.332164|1.780679|2.156277|0.044201|1.528198|1.388019|1.765819|1.190373|1.148135|1.217077|1.318501|1.445268|0.039970|1.460446|1.459026|1.448053|1.439876|1.441080|1.450269|0.104437|0.095058|0.091188|0.148645|0.125878|0.213526|0.173246|0.300714|0.500000| |3.701829|4.523434|7.565291|8.863964|17.548269|30.530331|8.330207|6.312488|3.342684|3.298343|2.700569|2.355195|2.374270|2.753028|2.802696|1.817334|3.113547|1.638741|2.014142|0.041389|1.447996|1.328092|1.681942|1.140139|1.094518|1.149809|1.243387|1.347491|0.037212|1.348018|1.335302|1.316772|1.311634|1.323511|1.340913|0.109847|0.090765|0.090350|0.140252|0.106616|0.213350|0.213890|0.301692|0.300841|0.500000| |4.090409|4.220478|7.817832|5.634266|4.107424|46.676816|12.238122|8.030256|8.892551|17.758579|8.916903|5.627562|4.947350|5.638914|4.917696|3.054196|5.364831|2.495276|2.995799|0.063600|2.098435|1.892582|2.338645|1.548971|1.471509|1.565179|1.732859|1.910672|0.051264|1.920303|1.839837|1.797454|1.829521|1.908436|1.956348|0.117245|0.123576|0.092299|0.100525|0.105403|0.203225|0.139261|0.096847|0.113183|0.104487|0.500000| |3.243108|3.053722|4.822583|3.384357|2.717819|27.713474|6.747050|5.728693|5.671006|8.947778|17.734640|8.955543|5.670019|4.968228|5.638341|3.743557|7.163907|2.879437|3.556952|0.078314|2.497504|2.282329|2.758704|1.815327|1.702089|1.801081|2.016907|2.198465|0.057519|2.182099|2.015079|1.939209|2.004771|2.168924|2.272679|0.092739|0.102663|0.077535|0.074237|0.079504|0.107213|0.091562|0.068146|0.074307|0.071525|0.215167|0.500000| |3.044023|2.800713|4.103333|2.702577|2.252182|24.084756|5.484311|5.512025|4.960614|5.640115|8.923249|17.820495|8.899695|5.637203|9.469929|6.818259|14.780895|4.413793|5.335314|0.122130|3.645026|3.189057|3.712564|2.345712|2.161954|2.328217|2.714437|3.043854|0.077667|2.952402|2.616320|2.432329|2.498097|2.785218|3.064286|0.082564|0.100538|0.075733|0.067505|0.076569|0.079955|0.073473|0.058661|0.061998|0.058372|0.124158|0.216491|0.500000| |4.564273|4.796590|6.788147|3.684674|3.081388|47.872032|8.538320|14.241377|8.984135|5.652661|4.968863|5.625835|8.853884|17.737435|9.989922|4.857345|7.071037|4.057791|4.249607|0.084999|2.859164|2.370677|2.936246|1.870815|1.781193|1.962344|2.241829|2.655415|0.073775|2.664054|2.643789|2.511901|2.416104|2.430894|2.544572|0.106884|0.154924|0.111036|0.105715|0.151450|0.100385|0.093679|0.082741|0.087184|0.074082|0.124419|0.107818|0.123674|0.500000| |3.387823|3.250744|4.399137|2.646706|2.285788|27.036826|5.595893|7.389289|4.957681|4.088180|4.293719|5.737865|9.309117|7.728576|26.011745|9.552568|10.860990|7.707157|6.649181|0.127639|4.215135|3.215476|3.909143|2.383893|2.244102|2.534860|3.030936|3.832817|0.106409|3.726430|3.585451|3.199027|2.993807|3.073207|3.401316|0.083208|0.113859|0.088046|0.076576|0.098282|0.073229|0.070340|0.061970|0.063919|0.057163|0.092668|0.098152|0.142665|0.236534|0.500000| |2.313895|2.241975|3.057495|1.953593|1.752342|18.204149|4.083294|4.871294|3.069696|2.802201|3.050793|3.858362|4.644771|3.894456|9.362014|8.871334|11.355246|17.646690|12.346391|0.211180|5.667511|4.172349|5.454297|3.152628|3.049661|3.736394|4.738271|7.391046|0.194395|7.670839|6.863560|5.241816|4.604982|4.824975|5.969921|0.059189|0.073179|0.061862|0.055471|0.066410|0.054681|0.052339|0.047599|0.049348|0.044898|0.067425|0.075686|0.110044|0.111943|0.200111|0.500000| |2.570206|2.407980|3.177025|2.012764|1.789596|18.260380|3.988394|4.892373|3.072289|2.782140|3.015342|3.817928|4.663154|3.931302|9.672224|8.703498|10.801010|17.618930|12.326497|0.184817|7.505816|4.734394|5.701676|3.226213|2.970571|3.459128|4.491944|6.373464|0.192232|5.189517|4.736487|3.717705|3.287202|3.425851|4.160439|0.065095|0.082516|0.070011|0.059322|0.071446|0.055536|0.054777|0.049108|0.049653|0.045770|0.066827|0.074562|0.108266|0.114265|0.216651|0.300763|0.500000| |2.123563|1.953269|2.566688|1.683139|1.511594|14.198029|3.185784|3.690608|2.328033|2.215158|2.435432|2.945161|3.210727|2.756029|5.567382|5.110340|8.436121|6.909881|12.413692|0.182037|17.615954|8.815133|9.479321|4.785660|3.987402|4.409880|6.239580|7.177237|0.220120|4.672154|3.964823|3.097800|2.806217|3.024519|3.807359|0.055387|0.066428|0.058835|0.049312|0.056519|0.046559|0.046622|0.041585|0.041556|0.039324|0.054827|0.063046|0.087719|0.077129|0.112263|0.148314|0.217326|0.500000| |2.389074|2.153601|2.861425|1.875930|1.652730|15.826369|3.533987|4.013232|2.704671|2.627446|3.002478|3.786140|4.000022|3.227250|6.964407|6.944394|12.520090|7.409242|12.341088|0.220882|17.658902|8.884479|7.747408|4.149814|3.435542|3.689605|4.973553|5.572024|0.146140|4.135291|3.430425|2.821879|2.676475|2.971974|3.702184|0.062869|0.076409|0.065052|0.053711|0.061382|0.052352|0.052197|0.045052|0.045197|0.043008|0.064007|0.077662|0.117884|0.086757|0.128772|0.146185|0.204838|0.299432|0.500000| |1.851065|1.691050|2.249550|1.514961|1.363127|12.244127|2.807605|3.093314|2.002182|1.982125|2.219815|2.605963|2.640730|2.267123|4.193798|3.765829|7.140986|4.163611|7.622141|0.146681|8.963680|17.603741|12.489926|6.927401|4.737771|4.443593|5.743551|4.877789|0.128019|3.576537|2.973083|2.477758|2.371943|2.645214|3.272552|0.049608|0.057066|0.051063|0.043223|0.047850|0.042314|0.042373|0.037293|0.037288|0.035950|0.049954|0.059585|0.080361|0.061503|0.080793|0.097428|0.114677|0.217089|0.210485|0.500000| |1.886091|1.736182|2.354793|1.588804|1.420841|13.024095|3.011659|3.252990|2.178360|2.192336|2.524079|3.026016|2.976579|2.471301|4.722972|4.499985|9.419268|4.691740|9.265525|0.211766|8.886594|17.534579|12.386202|6.576689|4.821380|4.759610|6.341448|5.413392|0.126987|4.107119|3.219682|2.708983|2.683440|3.134915|4.010968|0.050762|0.058563|0.051106|0.044093|0.048917|0.044906|0.044148|0.038498|0.039051|0.037487|0.054866|0.068298|0.097246|0.065689|0.087465|0.109444|0.117683|0.173578|0.219366|0.301880|0.500000| |1.483274|1.386453|1.865777|1.274894|1.166020|10.203898|2.390850|2.577739|1.630903|1.626555|1.798412|2.044375|2.047291|1.804647|3.149813|2.736600|5.204392|3.023708|5.345426|0.108643|4.555210|6.870063|12.218716|17.796085|8.634963|5.789140|5.891935|4.149740|0.106135|3.323659|2.784027|2.386956|2.333192|2.623671|3.181707|0.040019|0.044842|0.040821|0.035881|0.039212|0.035784|0.035456|0.031855|0.032122|0.030978|0.041719|0.049028|0.062392|0.049175|0.061477|0.077107|0.080746|0.119047|0.108077|0.198965|0.173157|0.500000| |1.317340|1.257156|1.704332|1.166257|1.079470|9.434987|2.235716|2.404721|1.484857|1.470575|1.602464|1.800620|1.823450|1.636242|2.795599|2.384795|4.427361|2.692215|4.577451|0.093101|3.377407|4.159376|7.984312|8.792204|17.802650|8.528223|5.821117|4.038375|0.102951|3.591101|3.080849|2.702187|2.663419|2.972902|3.505699|0.035398|0.039493|0.036154|0.032677|0.035798|0.032784|0.032127|0.029483|0.030009|0.028681|0.037945|0.043571|0.054047|0.045058|0.055457|0.072961|0.070857|0.091107|0.080317|0.107753|0.108463|0.197202|0.500000| |1.442033|1.393372|1.897292|1.281574|1.185991|10.718984|2.531837|2.771278|1.693316|1.649911|1.789944|2.044852|2.125420|1.902193|3.357892|2.907910|5.226658|3.493943|5.993617|0.118819|3.845429|4.166165|7.971944|5.823230|8.523934|17.797223|8.785173|6.427155|0.155194|6.415119|5.264913|4.355181|4.162885|4.668190|5.860401|0.038294|0.043508|0.039365|0.035953|0.040137|0.036027|0.034932|0.032356|0.033235|0.031260|0.042139|0.047859|0.060826|0.052992|0.067488|0.100205|0.089127|0.104212|0.088629|0.099470|0.106650|0.122975|0.195827|0.500000| |1.764510|1.738092|2.344014|1.534952|1.421830|13.590656|3.136591|3.673214|2.125755|1.969636|2.073690|2.411185|2.711367|2.493737|4.552768|3.756996|5.916641|5.175554|6.930647|0.121462|3.957875|3.391002|5.148312|3.187820|3.380612|4.443912|4.949576|7.045756|0.230072|8.893533|17.697569|8.929676|5.652719|4.953419|5.636097|0.045581|0.053664|0.048242|0.044322|0.051554|0.042641|0.041264|0.039058|0.040202|0.036815|0.049442|0.053316|0.068446|0.072997|0.099037|0.177817|0.138057|0.115809|0.094840|0.082535|0.085269|0.075808|0.082382|0.133034|0.500000| |1.605336|1.621039|2.230097|1.474529|1.385214|13.150167|3.115416|3.555634|2.011684|1.872034|1.940828|2.191067|2.424053|2.295458|3.830989|3.004248|4.883806|3.590208|4.660090|0.090290|2.764624|2.497890|3.709015|2.440643|2.640469|3.286212|3.361127|4.102484|0.114857|5.636929|8.920275|17.733539|8.914087|5.642362|4.950372|0.041703|0.048174|0.043457|0.041636|0.048024|0.041256|0.039178|0.037852|0.039694|0.035951|0.047623|0.050230|0.061355|0.067003|0.082362|0.122848|0.092855|0.077279|0.070014|0.061944|0.066153|0.059718|0.067465|0.102791|0.215925|0.500000| |1.524860|1.542392|2.170364|1.456939|1.366241|12.903828|3.135770|3.390104|2.000636|1.914316|2.013561|2.248287|2.392519|2.230621|3.636310|2.884398|4.941256|3.174424|4.258199|0.088696|2.521743|2.366824|3.485560|2.343178|2.550232|3.105612|3.100853|3.549158|0.091149|4.943222|5.648284|8.923966|17.731977|8.910368|5.647532|0.040144|0.045719|0.040739|0.039640|0.044988|0.041402|0.038580|0.036874|0.039320|0.035719|0.049036|0.052947|0.063850|0.062978|0.074688|0.104802|0.078440|0.067413|0.065046|0.058223|0.065288|0.057787|0.066057|0.097008|0.124303|0.214840|0.500000| |1.568953|1.558331|2.207904|1.493671|1.379507|13.036196|3.171401|3.327456|2.095335|2.067980|2.260547|2.567560|2.619952|2.331224|3.969402|3.335216|6.121294|3.519144|5.066071|0.114277|2.930709|2.851232|4.200838|2.815421|3.051850|3.721495|3.744259|4.087690|0.096367|5.639873|4.956201|5.645583|8.903797|17.734004|8.940485|0.041750|0.047491|0.041635|0.039846|0.044779|0.042890|0.039848|0.036945|0.039367|0.036269|0.052671|0.060460|0.075952|0.063565|0.077552|0.110827|0.082853|0.074664|0.075443|0.068222|0.081863|0.068842|0.077835|0.112507|0.107554|0.124080|0.214809|0.500000| |1.709260|1.654555|2.308406|1.550549|1.410675|13.402013|3.179924|3.407162|2.212953|2.190223|2.464334|2.923207|2.972254|2.523780|4.749389|4.427216|8.567240|4.918051|8.448237|0.211802|4.472164|4.473837|6.793754|4.214985|4.437425|5.796181|6.521871|6.939677|0.139855|8.864285|5.634711|4.948837|5.651135|8.955706|17.706045|0.045459|0.052479|0.045602|0.042021|0.047397|0.044278|0.041890|0.037933|0.039722|0.037034|0.054903|0.065733|0.090180|0.068198|0.090272|0.144655|0.109478|0.107043|0.109154|0.099300|0.130646|0.098031|0.104549|0.157946|0.123739|0.107479|0.124374|0.216631|0.500000| 1802.183261 -11196.072288 4310.610181 -217.352565 -5300.631412 3496.255781 -1804.375631 2.001217 408B00000000000D 44D0FAFC7DFB2B38 44517530D3C59238 42226579EFFFFFFD B7E7F4B45CC1CB00 43C8857422FD34A7