Version2.1 2020-12-27T07:54:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)c1ccc(cc1)NC(=O)c2c3c(sc2NC(=O)C[NH+]4CCCCCC4)CCC3 C16193135 RHF 6-31G(d) (6D,7F) CCOC(=O)c1ccc(cc1)NC(=O)c2c3c(sc2NC(=O)C[NH+]4CCCCCC4)CCC3 C01[X(C25H32N3O4S1)] 189 C1 563 CCOC(=O)c1ccc(cc1)NC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CCC2 CCOC(=O)c1ccc(cc1)NC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CCC2 CCOC(=O)c1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCCCCC3)sc4CCCc24)cc1 InChIKey=WGTRTMBIUFQCHN-UHFFFAOYSA-O InChI=1S/C25H31N3O4S/c1-2-32-25(31)17-10-12-18(13-11-17)26-23(30)22-19-8-7-9-20(19)33-24(22)27-21(29)16-28-14-5-3-4-6-15-28/h10-13H,2-9,14-16H2,1H3,(H,26,30)(H,27,29)/p+1 InChI=1/C25H31N3O4S/c1-2-32-25(31)17-10-12-18(13-11-17)26-23(30)22-19-8-7-9-20(19)33-24(22)27-21(29)16-28-14-5-3-4-6-15-28/h10-13H,2-9,14-16H2,1H3,(H,26,30)(H,27,29)/p+1/fC25H32N3O4S/h26-28H/q+1 CCOC(=O)c1ccc(cc1)NC(=O)c2c3c(sc2NC(=O)C[NH+]4CCCCCC4)CCC3 C01[X(C25H32N3O4S1)] 189 C01 563 CCOC(=O)c1ccc(cc1)NC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CCC2 CCOC(=O)[C]1[CH][CH][C]([CH][CH]1)N[C]([O])[C]1[C](SC2=[C]1CCC2)[NH][C](=O)C[NH]1CCCCCC1 CCOC(=O)[C]1[CH][CH][C]([CH][CH]1)N[C]([O])[C]2[C](NC(=O)C[NH]3CCCCCC3)SC4=C2CCC4 InChIKey=QRBHKTQTDDWZRN-UHFFFAOYSA-N InChI=1S/C25H32N3O4S/c1-2-32-25(31)17-10-12-18(13-11-17)26-23(30)22-19-8-7-9-20(19)33-24(22)27-21(29)16-28-14-5-3-4-6-15-28/h10-13,28H,2-9,14-16H2,1H3,(H,26,30)(H,27,29) InChI=1/C25H32N3O4S/c1-2-32-25(31)17-10-12-18(13-11-17)26-23(30)22-19-8-7-9-20(19)33-24(22)27-21(29)16-28-14-5-3-4-6-15-28/h10-13,28H,2-9,14-16H2,1H3,(H,26,30)(H,27,29)/f/h26-27H 3387.9319003084 -1825.514695 1-A 28991.6351 125 438 563 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.07417 -20.68568 -20.65475 -20.63369 -20.59419 -15.84020 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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|A|A|A| 8.6546 14.0290 21.7998 28.2804 32.7436 43.4610 51.0903 60.2100 65.8067 77.9741 89.9168 94.2208 99.9306 107.0084 138.0947 143.9992 146.8283 158.7864 168.9296 184.8122 195.3480 206.2181 238.1405 251.1283 255.3241 281.8986 289.7988 308.4048 343.5138 352.8062 355.1235 375.1797 381.1486 389.8035 397.6429 414.9844 423.5685 444.1645 459.9231 484.5847 507.1286 540.5859 550.7676 564.4768 575.5154 579.0393 601.7730 608.3238 639.7102 666.1636 686.2021 694.8063 711.6963 730.8587 771.7585 789.9735 809.4882 818.8349 834.3085 841.5069 858.5654 872.4525 882.8297 883.4414 890.2313 913.9587 924.7641 937.1859 941.1521 945.4416 954.1491 969.3583 973.0117 977.0871 984.8864 994.2564 1011.4381 1024.3472 1071.3053 1089.1150 1092.3981 1098.2848 1110.5029 1113.9701 1118.8330 1119.6951 1129.3528 1136.9713 1151.5723 1162.6050 1166.5190 1181.0146 1210.6057 1210.7678 1217.8404 1242.5015 1259.3394 1260.1999 1282.8018 1297.9143 1298.0814 1308.3562 1310.7863 1326.5135 1347.3297 1350.9764 1359.3293 1362.4907 1368.2303 1379.0554 1408.9416 1417.0460 1426.1147 1431.1386 1435.5279 1451.5824 1457.5726 1463.3013 1465.0326 1475.1710 1487.9499 1488.1066 1503.9897 1533.5769 1537.1942 1544.0767 1546.0133 1550.1777 1554.4708 1564.6169 1573.4105 1578.5867 1586.2070 1608.3768 1624.7252 1628.3377 1629.7336 1630.3287 1632.6679 1637.1390 1640.8770 1643.0776 1645.4940 1645.9989 1658.0074 1663.9517 1671.2712 1673.5552 1692.5759 1718.7456 1761.3153 1782.6293 1802.0783 1817.4499 1885.1358 1936.3230 1990.5030 3186.1074 3201.4907 3210.2397 3216.5832 3217.8739 3220.9217 3227.6195 3239.0022 3251.9871 3260.3469 3261.7792 3265.7323 3265.9449 3269.1198 3274.2996 3276.8070 3279.1494 3283.4875 3287.1899 3294.4834 3297.4447 3321.9656 3334.1199 3341.4300 3347.2571 3356.4664 3414.2218 3415.7103 3463.7824 3631.1799 3666.7510 3918.5310 4.6162 4.0529 4.6097 4.6829 4.5333 4.3642 3.4283 5.2986 4.9517 4.3490 2.7296 5.2189 4.5950 4.3753 3.5060 2.4611 2.5089 3.2564 2.8184 4.1833 3.6108 3.3637 4.4849 3.6786 3.2413 1.3697 4.1659 4.3593 3.8294 2.9940 4.7591 5.5945 3.2752 3.2541 2.9366 4.2558 11.7131 7.4746 3.0089 6.1473 2.5377 4.5480 1.7976 2.6861 4.0763 4.7987 3.0156 1.5124 4.2001 3.3340 5.9494 6.9753 5.0955 2.1704 3.4731 4.6745 1.3424 4.0012 2.4174 2.2293 3.0213 2.6269 3.1559 1.2327 2.7235 3.0087 3.5718 2.0809 1.6291 1.7884 4.9755 1.8546 2.3065 2.4639 1.8593 1.7743 3.5888 2.3863 2.2817 2.4444 3.5790 2.4899 1.3822 3.1489 1.3580 1.5463 3.4567 3.8011 2.3823 1.9437 2.5499 2.6624 1.8432 1.6401 1.8574 2.1761 4.0793 3.8689 1.2406 1.5543 3.0677 1.3109 1.5129 2.2419 1.4090 1.3028 1.2521 2.0173 1.2969 1.3512 1.8158 1.8517 1.0897 1.2855 1.1357 1.7217 2.9393 1.5046 1.2411 1.6250 1.4357 1.3365 1.2721 1.9475 2.4715 1.4155 1.3307 1.2803 1.4244 2.5476 1.5019 1.3814 1.4403 1.8424 1.1420 1.3111 1.2660 1.0409 1.1636 1.1526 1.1087 1.0568 1.0933 1.0977 1.1014 1.1147 1.0974 1.0921 2.4387 2.7209 4.3093 4.2699 3.2251 4.7525 6.2901 8.9803 12.4514 1.0689 1.0745 1.0700 1.0359 1.0659 1.0635 1.0640 1.0853 1.0813 1.0989 1.0974 1.0632 1.0934 1.0992 1.0631 1.0945 1.0682 1.1052 1.0988 1.0626 1.1072 1.1109 1.1095 1.1086 1.1099 1.0917 1.0921 1.0943 1.0937 1.0770 1.0820 1.0775 0.0002 0.0005 0.0013 0.0022 0.0029 0.0049 0.0053 0.0113 0.0126 0.0156 0.0130 0.0273 0.0270 0.0295 0.0394 0.0301 0.0319 0.0484 0.0474 0.0842 0.0812 0.0843 0.1499 0.1367 0.1245 0.0641 0.2061 0.2443 0.2662 0.2196 0.3536 0.4640 0.2803 0.2913 0.2736 0.4318 1.2381 0.8688 0.3750 0.8505 0.3845 0.7831 0.3213 0.5043 0.7955 0.9480 0.6434 0.3297 1.0127 0.8717 1.6505 1.9840 1.5206 0.6831 1.2188 1.7188 0.5183 1.5806 0.9914 0.9301 1.3122 1.1781 1.4492 0.5668 1.2717 1.4807 1.7997 1.0768 0.8502 0.9418 2.6688 1.0268 1.2866 1.3859 1.0626 1.0334 2.1631 1.4752 1.5429 1.7083 2.5163 1.7695 1.0043 2.3022 1.0016 1.1422 2.5976 2.8951 1.8614 1.5479 2.0444 2.1879 1.5916 1.4166 1.6230 1.9794 3.8118 3.6201 1.2028 1.5427 3.0456 1.3222 1.5315 2.3243 1.5070 1.4010 1.3631 2.2064 1.4305 1.5140 2.1238 2.1907 1.3058 1.5513 1.3789 2.1374 3.6792 1.8982 1.5694 2.0834 1.8728 1.7438 1.6954 2.6986 3.4409 1.9884 1.8739 1.8127 2.0279 3.6745 2.1906 2.0282 2.1351 2.8080 1.7761 2.0482 1.9811 1.6302 1.8274 1.8201 1.7589 1.6810 1.7442 1.7522 1.7838 1.8184 1.8059 1.8021 4.1163 4.7357 7.8764 7.9945 6.1708 9.2490 13.1703 19.8380 29.0667 6.3928 6.4889 6.4968 6.3149 6.5030 6.5004 6.5309 6.7082 6.7373 6.8826 6.8792 6.6810 6.8715 6.9214 6.7154 6.9245 6.7674 7.0203 6.9953 6.7953 7.0928 7.2229 7.2669 7.2926 7.3267 7.2466 7.5005 7.5220 7.7310 8.3669 8.5714 9.7476 0.7658 0.1567 0.6233 0.4602 0.6788 0.0828 1.0562 1.1350 1.4019 5.9351 0.8857 1.9523 1.5709 12.3497 0.7443 2.7544 3.1762 1.5249 3.5245 5.8396 1.6627 3.0764 2.2224 1.7106 11.9579 0.4199 10.0055 1.8943 4.4530 9.6213 2.7380 1.1141 3.5343 43.5514 2.9067 6.6575 3.9485 46.7318 0.2268 4.2442 5.1368 10.5779 0.8627 23.0771 2.7960 3.3882 5.6841 65.0225 2.0182 4.5626 3.0344 0.2239 2.9033 0.6755 11.6841 14.6534 2.1559 21.5794 13.6920 18.9206 26.5267 84.1742 27.2986 16.1555 6.5617 1.1469 13.3057 7.0907 12.5019 13.1909 28.9727 35.0844 8.3593 1.1999 23.4240 2.7451 11.5986 26.3963 5.4309 10.6617 55.1909 15.0817 0.1152 1.1293 0.1589 3.0084 20.5134 23.2334 8.3263 4.0530 10.8546 7.7896 5.3793 8.7801 4.2757 51.2574 117.3586 20.2270 1.6803 5.4658 3.4117 121.2400 24.6314 35.4725 5.2408 5.3448 0.8736 37.4703 1.8367 2.2132 449.4136 386.5301 1.6140 77.1465 2.3127 179.3637 559.8617 259.5630 67.5922 8.5920 10.2244 47.0679 2.2611 22.5179 25.2083 10.1258 55.4152 0.1077 0.9783 184.0750 27.2093 68.5115 6.8658 151.0540 23.4787 42.4409 37.7544 4.8132 10.4488 11.5159 31.2612 2.1541 7.4331 0.1891 14.9923 3.7275 5.1207 13.7986 37.8916 1317.4247 268.9714 641.3472 84.9702 28.7739 197.9939 368.4605 374.4426 49.4513 3.9650 25.7612 20.9535 36.8817 17.6701 15.3622 14.6827 34.2592 12.2352 3.4930 10.3951 34.9354 21.5249 2.3720 34.4022 9.8923 12.6562 48.9488 13.2159 34.6468 47.7673 1.3255 5.0326 14.1237 18.1652 2.3451 0.7603 0.0627 78.7690 413.8437 67.0455 4.0520 0.2567 0.8600 0.7344 1.1905 0.6001 3.2055 0.4747 0.4228 0.1472 0.1219 0.1955 0.1812 0.5658 1.2764 0.2811 0.3431 0.2994 0.3389 1.3071 0.6758 0.9228 0.7767 1.2608 1.6467 0.0504 1.0346 0.7240 1.2855 1.4186 2.2815 0.9387 1.2020 1.2712 1.1933 0.6529 0.9558 2.1415 0.7187 1.3758 4.0106 0.5974 1.2779 0.7191 1.7760 24.3435 3.2996 2.9177 2.6100 4.3336 5.5851 7.0336 3.7683 4.3056 0.5014 3.6549 2.2147 9.7748 6.3887 1.1578 2.7476 7.4427 1.8592 2.2979 0.7079 4.7082 9.6164 1.4382 2.1642 2.6940 32.6781 2.3056 7.7785 7.9327 1.2895 0.9377 3.2132 8.9197 3.2898 7.0477 7.1321 14.3733 5.1007 1.9226 0.3629 5.9956 4.5393 1.8196 8.7099 1.9961 5.1658 4.5595 1.8090 1.8132 4.2777 15.9099 25.9032 31.2577 1.2840 1.2119 15.3998 15.9693 25.2249 9.8121 12.0925 2.7499 13.6439 6.1871 7.9421 33.0479 176.1435 42.7169 14.3499 30.5303 21.0547 25.2632 22.8582 41.3870 12.3700 16.4721 31.0886 32.4512 1.4640 40.1554 32.8188 0.7088 3.9763 1.7232 7.2512 52.1615 24.9419 46.2055 2.8266 169.9310 13.0535 31.4508 45.3325 23.0140 17.7828 13.6985 10.2292 19.7621 3.7456 24.2328 5.3124 9.6558 2.8841 7.2768 6.9533 169.1633 114.0005 77.4097 37.7683 319.4153 176.3581 106.7425 59.1860 103.0381 77.2762 43.2423 116.4522 141.4651 38.3911 112.8087 57.5708 126.9994 37.4689 86.2348 91.5297 142.0473 95.4729 40.1796 157.8636 40.4316 83.0071 107.1032 148.1682 122.5713 23.6374 24.5247 38.2750 59.0092 65.8900 68.3745 84.0463 51.5459 31.6453 115.9968 94.9178 0.7380 0.7416 0.7192 0.7335 0.7306 0.7006 0.7467 0.7486 0.6995 0.7497 0.7422 0.6647 0.6676 0.6249 0.7021 0.3619 0.5612 0.4254 0.7306 0.1344 0.4032 0.5996 0.3921 0.7483 0.3848 0.7427 0.4362 0.2592 0.7192 0.6441 0.3536 0.7484 0.6447 0.5862 0.6471 0.6765 0.5508 0.7424 0.4464 0.3587 0.0249 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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 1.00783 1.00783 12622.4190 40222.6724 51230.4088 0.99995 -0.00969 -0.00314 0.00968 0.99994 -0.00419 0.00319 0.00415 0.99999 1 0.00686 0.00215 0.00169 0.14298 0.04487 0.03523 12.45 20.18 31.36 40.69 47.11 62.53 73.51 86.63 94.68 112.19 129.37 135.56 143.78 153.96 198.69 207.18 211.25 228.46 243.05 265.90 281.06 296.70 342.63 361.32 367.35 405.59 416.96 443.73 494.24 507.61 510.94 539.80 548.39 560.84 572.12 597.07 609.42 639.05 661.73 697.21 729.64 777.78 792.43 812.16 828.04 833.11 865.82 875.24 920.40 958.46 987.29 999.67 1023.97 1051.54 1110.39 1136.60 1164.67 1178.12 1200.38 1210.74 1235.28 1255.26 1270.20 1271.08 1280.84 1314.98 1330.53 1348.40 1354.11 1360.28 1372.81 1394.69 1399.95 1405.81 1417.03 1430.51 1455.23 1473.81 1541.37 1566.99 1571.72 1580.19 1597.77 1602.75 1609.75 1610.99 1624.89 1635.85 1656.86 1672.73 1678.36 1699.22 1741.79 1742.02 1752.20 1787.68 1811.91 1813.15 1845.67 1867.41 1867.65 1882.43 1885.93 1908.56 1938.51 1943.75 1955.77 1960.32 1968.58 1984.15 2027.15 2038.81 2051.86 2059.09 2065.40 2088.50 2097.12 2105.36 2107.86 2122.44 2140.83 2141.05 2163.91 2206.48 2211.68 2221.58 2224.37 2230.36 2236.54 2251.13 2263.79 2271.23 2282.20 2314.10 2337.62 2342.81 2344.82 2345.68 2349.04 2355.48 2360.86 2364.02 2367.50 2368.23 2385.50 2394.06 2404.59 2407.87 2435.24 2472.89 2534.14 2564.81 2592.79 2614.91 2712.29 2785.94 2863.89 4584.10 4606.23 4618.82 4627.95 4629.80 4634.19 4643.82 4660.20 4678.88 4690.91 4692.97 4698.66 4698.97 4703.53 4710.99 4714.59 4717.96 4724.21 4729.53 4740.03 4744.29 4779.57 4797.05 4807.57 4815.96 4829.21 4912.30 4914.45 4983.61 5224.46 5275.64 5637.89 0.592736 0.622613 0.623558 0.526026 -1824.921959 -1824.892082 -1824.891137 -1824.988669 3.271239D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE CCOC(=O)c1ccc(cc1)NC(=O)c2c3c(sc2NC(=O)C[NH+]4CCCCCC4)CCC3 C16193135 RHF 6-31G(d) (6D,10F) C1 470.211354 |X|Y|Z| 82.044239 147.038831 25.292522 67.322064 26 6 7 16 22 3 1 |36.858105| |12.587845|36.858105| |8.033087|13.337562|73.516695| |5.275778|8.109487|25.648179|36.858105| |4.614845|7.183293|15.291955|15.998360|73.516695| |4.055256|5.179471|14.432174|12.778687|14.325274|36.858105| |3.183631|3.954536|9.375131|7.706192|12.049964|13.711097|36.858105| |2.685807|3.148027|7.134993|5.082847|8.087498|7.937196|13.824737|36.858105| |2.658773|2.989590|6.822119|4.459632|6.766408|6.848821|7.927705|13.681763|36.858105| |3.103755|3.421210|8.177304|5.018241|7.090066|7.890887|6.854218|7.915102|13.717499|36.858105| |3.962365|4.553401|12.283877|7.542328|9.375317|13.735323|7.959481|6.904745|7.960996|13.758645|36.858105| |2.235666|2.449529|5.322540|3.352855|5.312883|4.543429|5.201456|7.985082|13.474151|7.710648|5.127358|53.358707| |2.078014|2.215957|4.723822|2.859238|4.535292|3.675450|3.917556|5.203459|7.656010|6.238687|4.305253|19.256420|36.858105| |2.180465|2.282207|4.880752|2.867544|4.470085|3.640679|3.649106|4.510928|6.585507|6.569465|4.507425|11.512948|15.669884|73.516695| |1.789500|1.896941|3.930857|2.369601|3.861460|2.908577|3.145172|4.015125|5.039670|4.218914|3.239322|10.766894|12.787437|14.365891|36.858105| |1.658238|1.771987|3.625584|2.211837|3.679608|2.669211|2.972267|3.780681|4.339300|3.536706|2.849219|8.660401|7.196201|9.114856|13.155875|36.858105| |1.490611|1.578276|3.178110|1.916202|3.216208|2.250890|2.464467|2.997514|3.338863|2.862559|2.387508|6.031684|5.064433|7.249829|8.197000|14.253940|36.858105| |1.446429|1.509661|3.026092|1.792091|2.985559|2.083942|2.214874|2.624468|2.989826|2.693404|2.254976|5.199574|4.734273|7.455547|7.331855|7.422175|11.034905|388.023441| |1.653502|1.726470|3.524107|2.084699|3.410233|2.486401|2.617505|3.173621|3.847323|3.471229|2.775625|7.086805|7.660412|11.977929|13.955711|8.250975|7.788036|78.119679|36.858105| |1.690388|1.740374|3.547003|2.059921|3.338524|2.434498|2.484684|2.924273|3.584749|3.446257|2.779436|6.112319|6.544395|12.870667|7.824898|5.217934|4.983260|49.155963|13.636335|53.358707| |1.553385|1.583095|3.177243|1.825879|2.981901|2.107056|2.130894|2.438178|2.883709|2.830195|2.375941|4.657361|4.496691|8.816983|5.173299|4.015069|4.121663|42.785827|7.803630|19.484047|36.858105| |1.417966|1.447000|2.875162|1.657252|2.735504|1.890579|1.928959|2.193766|2.526018|2.445089|2.091772|4.055900|3.735253|6.921813|4.478041|3.784317|4.156481|46.556929|6.578851|11.441540|15.832267|73.516695| |1.592072|1.599091|3.194244|1.804447|2.929341|2.056672|2.031330|2.268037|2.676197|2.739174|2.346743|4.108660|3.815476|7.973748|3.947352|3.146857|3.131237|28.900770|5.061779|10.759016|12.456651|14.381757|36.858105| |1.437043|1.438492|2.832233|1.597054|2.620996|1.788224|1.771673|1.950654|2.235380|2.271554|2.000012|3.374298|2.991104|5.960550|3.145976|2.657649|2.723485|24.983139|3.916338|7.135899|7.822411|12.993766|12.802708|53.358707| |1.365036|1.371788|2.694992|1.527565|2.519525|1.709773|1.708509|1.889374|2.151574|2.156642|1.896994|3.286281|2.905460|5.627800|3.163960|2.727107|2.870882|27.234362|4.028970|7.055071|8.095309|16.375532|9.561259|25.592791|0.500000| |1.401139|1.385881|2.704123|1.506918|2.473218|1.664464|1.628691|1.763500|2.003844|2.073810|1.861847|2.950660|2.546252|5.090560|2.605132|2.246264|2.280604|19.949871|3.084914|5.311200|5.060299|8.520601|7.592635|17.153095|0.254037|36.858105| |1.262838|1.249440|2.415934|1.348800|2.232105|1.476465|1.452880|1.565898|1.752371|1.795904|1.629548|2.576766|2.181914|4.238739|2.271370|2.020236|2.088982|18.153580|2.663651|4.337044|4.022012|7.376188|5.052026|10.192699|0.206869|12.465752|36.858105| |1.183571|1.178389|2.270933|1.276397|2.127208|1.393881|1.384490|1.493948|1.652875|1.670291|1.520267|2.439258|2.047115|3.899241|2.163796|1.958030|2.054810|17.915505|2.539318|4.016556|3.705432|7.185099|4.260976|8.582716|0.188989|7.286043|12.376200|36.858105| |1.204515|1.202229|2.316573|1.304463|2.176933|1.423430|1.415915|1.525736|1.681096|1.694912|1.547065|2.470069|2.064674|3.937368|2.164131|1.950834|2.031703|17.552844|2.520856|3.990581|3.623892|6.873287|4.165655|8.333800|0.166488|6.342876|7.312083|12.419543|36.858105| |1.271272|1.279116|2.484095|1.409570|2.349165|1.553908|1.557628|1.697226|1.879940|1.874825|1.690593|2.800151|2.372720|4.514064|2.519228|2.244570|2.346304|20.776833|2.999783|4.818494|4.507362|8.679191|4.994630|10.182744|0.201809|6.002074|5.680915|7.432263|12.420821|36.858105| |1.411874|1.420261|2.787338|1.579288|2.606562|1.761316|1.755840|1.927742|2.177953|2.190442|1.946169|3.264163|2.840593|5.569045|2.972979|2.545632|2.606332|23.406881|3.612747|6.249491|6.154964|10.677611|7.720443|17.132628|0.258568|7.593024|5.666373|5.840683|7.293100|12.503696|36.858105| |1.383892|1.470953|2.928513|1.773727|3.021981|2.048455|2.264685|2.701135|2.869723|2.466676|2.121150|4.898545|3.787493|5.601077|5.152174|7.971952|12.683734|45.884076|4.826857|4.877229|3.152236|5.782228|2.528781|3.100804|0.066795|1.957839|1.832144|1.822638|1.801251|2.045307|2.206921|36.858105| |1.471386|1.581194|3.164271|1.942747|3.324981|2.261768|2.556416|3.096969|3.209322|2.680301|2.307112|5.475633|3.929462|5.650331|4.973237|7.963588|8.093844|33.346124|4.189889|4.369770|2.765638|4.889587|2.298256|2.788646|0.059005|1.792751|1.667391|1.639879|1.624735|1.823757|1.982531|12.287774|36.858105| |1.662856|1.802586|3.677690|2.286808|3.865950|2.751909|3.180630|4.089560|4.334220|3.407043|2.827150|8.088543|5.481295|7.249585|6.926283|12.577394|8.122108|34.380265|5.000561|5.069119|3.047887|5.177950|2.531933|2.990786|0.062255|1.910167|1.741412|1.694793|1.692644|1.914896|2.129055|7.641718|12.277302|36.858105| |17.571295|8.849937|12.865816|4.898429|7.457461|3.975092|3.115464|2.671690|2.690927|3.185385|4.036764|3.088745|2.134178|4.036780|1.828982|1.677343|1.509608|10.512478|1.700725|2.391213|1.618624|2.614673|1.674261|2.055921|0.039614|1.475973|1.322594|1.237176|1.264471|1.335090|1.489162|1.392256|1.468694|1.663570|0.500000| |17.572649|8.850348|12.867235|4.900942|7.459514|3.978293|3.118219|2.673776|2.692913|3.188387|4.040295|3.093493|2.121319|3.971107|1.824267|1.687659|1.515801|10.464553|1.685321|2.347308|1.582816|2.564249|1.624080|1.986745|0.038567|1.427535|1.286743|1.199480|1.213056|1.276999|1.420872|1.404809|1.496060|1.689538|0.300648|0.500000| |17.561684|8.903951|10.207946|4.276581|7.110033|3.363189|2.762709|2.362322|2.320973|2.641809|3.245680|2.707675|1.859482|3.449236|1.625201|1.518224|1.375941|9.505649|1.511533|2.100162|1.429179|2.335037|1.465120|1.816507|0.035299|1.306785|1.185798|1.114997|1.134755|1.192262|1.314431|1.286213|1.364258|1.526536|0.300846|0.300856|0.500000| |8.809229|17.625679|16.520960|7.270694|12.920402|4.756756|3.809376|3.033229|2.833973|3.161018|4.082944|3.189839|2.122674|3.870596|1.830409|1.715799|1.534287|10.444540|1.671459|2.291638|1.537249|2.506466|1.551350|1.911245|0.037178|1.350300|1.219216|1.156300|1.186322|1.264224|1.398764|1.434493|1.536681|1.746986|0.211113|0.172944|0.211545|0.500000| |8.810129|17.626642|16.521626|7.277704|12.928745|4.761758|3.814067|3.036071|2.836132|3.163777|4.086314|3.194902|2.110021|3.812808|1.825655|1.726726|1.540709|10.397558|1.656872|2.253078|1.506622|2.462152|1.511379|1.855578|0.036313|1.313111|1.191109|1.125510|1.143780|1.214830|1.342011|1.448113|1.567871|1.776888|0.172948|0.211133|0.211573|0.302425|0.500000| |3.045903|3.868821|8.591760|7.201443|13.567523|8.942619|17.755653|8.931653|5.639086|4.945247|5.664060|5.739358|3.298442|5.444342|2.773333|2.695159|2.277492|14.484863|2.344835|3.016663|1.929342|3.144768|1.838056|2.212866|0.043733|1.500269|1.350237|1.294932|1.326162|1.453882|1.620708|2.139079|2.424921|2.943767|0.081604|0.081669|0.074953|0.106492|0.106626|0.500000| |2.362452|2.744487|5.943823|4.142434|7.002656|5.647893|8.955752|17.700277|8.885071|5.632215|4.967131|10.039118|4.895517|7.225414|4.065394|4.059835|3.198222|19.241024|3.180715|3.872923|2.382380|3.868771|2.177799|2.575746|0.051364|1.700300|1.522364|1.465677|1.498115|1.672554|1.881585|2.944635|3.467879|4.673513|0.065093|0.065130|0.058775|0.074517|0.074568|0.215591|0.500000| |2.925036|3.088517|7.094277|4.091723|5.929262|5.637325|4.951209|5.638107|8.903790|17.832867|8.935216|9.506435|6.747891|14.702421|4.453727|3.564657|2.920579|20.189286|3.771418|5.306481|3.167186|4.754473|3.118523|3.431474|0.065933|2.303485|1.966311|1.804083|1.820472|2.012134|2.387902|2.467831|2.621901|3.282733|0.084548|0.084627|0.069650|0.079139|0.079200|0.107545|0.123908|0.500000| |4.667071|5.056935|13.926722|6.949176|8.623403|8.936088|5.659698|4.971979|5.665942|8.963820|17.762117|5.650138|3.730131|7.224066|2.892467|2.538769|2.173717|14.894091|2.556890|3.566908|2.282610|3.570432|2.306828|2.688286|0.051731|1.866788|1.631328|1.510932|1.534618|1.661311|1.912424|1.936596|2.077815|2.486236|0.135339|0.135510|0.102444|0.121314|0.121430|0.124533|0.107823|0.216426|0.500000| |2.076943|2.291833|4.887521|3.120761|5.094191|4.095802|4.949664|7.685848|9.360799|5.770287|4.310768|26.122265|9.526401|10.903056|7.646658|7.437230|4.905333|27.765252|4.961690|5.526718|3.172296|5.061591|2.752200|3.146976|0.063352|2.021006|1.790922|1.714228|1.734958|1.966470|2.253474|4.090489|4.832216|7.967003|0.058071|0.058427|0.051858|0.061350|0.061765|0.116840|0.235076|0.143755|0.098547|0.500000| |1.849362|1.900578|3.920619|2.265540|3.621903|2.713863|2.726256|3.212859|4.091311|4.060506|3.186040|6.875813|7.779503|18.662376|7.510018|4.837314|4.323009|37.464725|9.509558|25.748930|9.327114|10.737574|7.483559|6.562265|0.125577|3.783623|3.027516|2.752895|2.758337|3.261935|4.269871|3.225899|3.022002|3.606713|0.053672|0.052509|0.046521|0.050853|0.049866|0.066478|0.084653|0.132879|0.083578|0.120218|0.500000| |1.612643|1.608210|3.210188|1.799563|2.910267|2.045250|2.000631|2.219537|2.631034|2.739708|2.353773|3.998603|3.681350|7.766736|3.743108|3.013900|2.977892|26.735869|4.635675|9.237656|8.926789|11.581234|17.619419|12.312976|0.213650|7.393346|5.051210|3.993882|3.701814|4.111763|5.630440|2.429381|2.237318|2.455480|0.046996|0.046073|0.041195|0.043029|0.042320|0.050184|0.058791|0.087907|0.064924|0.074075|0.188570|0.500000| |1.704941|1.710235|3.434733|1.933170|3.117947|2.210865|2.163849|2.406109|2.861256|2.977154|2.548503|4.312844|3.993208|8.718827|3.901826|3.063940|2.960040|26.039592|4.734316|9.797912|8.682827|10.664414|17.628476|12.280218|0.184321|6.477348|4.347810|3.756013|3.881711|4.668802|7.399361|2.406270|2.227849|2.498959|0.050228|0.048105|0.043391|0.046194|0.044535|0.054065|0.063483|0.094975|0.069879|0.078925|0.217193|0.301097|0.500000| |1.461335|1.438139|2.813411|1.559186|2.545286|1.724942|1.675050|1.810928|2.075501|2.175348|1.948650|3.043971|2.636355|5.348217|2.659967|2.275514|2.284889|19.751427|3.118182|5.406662|4.970147|8.012055|7.645079|12.307988|0.201535|17.652544|8.880221|5.430415|4.681424|4.531894|5.684326|1.955503|1.809011|1.937289|0.042744|0.041617|0.037759|0.038690|0.037853|0.042664|0.048164|0.067975|0.054635|0.057470|0.109698|0.250710|0.180571|0.500000| |1.425741|1.405049|2.733696|1.516908|2.488756|1.666523|1.621995|1.742752|1.970994|2.054388|1.862459|2.862149|2.441452|4.909657|2.449126|2.113402|2.121896|18.147555|2.835811|4.822581|4.367249|7.216751|6.361995|12.406174|0.183308|17.655821|8.764866|6.317703|6.466010|5.989301|7.620338|1.834434|1.695331|1.816970|0.041972|0.040176|0.036973|0.038167|0.036809|0.041553|0.046514|0.063170|0.052150|0.054306|0.097983|0.165130|0.173352|0.303768|0.500000| |1.244627|1.232447|2.384353|1.332785|2.206328|1.461027|1.440402|1.556417|1.743960|1.782754|1.612736|2.578490|2.186201|4.216595|2.299705|2.059160|2.145289|18.731920|2.707316|4.356352|4.028410|7.535198|4.832844|8.812905|0.197546|8.881480|17.555768|8.837081|5.465006|4.652594|4.715523|1.884274|1.709857|1.772520|0.036041|0.035374|0.032463|0.033290|0.032764|0.037180|0.042099|0.054286|0.044782|0.049930|0.083627|0.141750|0.111836|0.224731|0.174422|0.500000| |1.242663|1.221861|2.349542|1.303999|2.159177|1.416509|1.385480|1.480121|1.648071|1.702499|1.561396|2.392721|2.000895|3.894256|2.051721|1.834850|1.880495|15.946981|2.353771|3.777275|3.356367|6.014415|4.181781|7.585840|0.147205|9.104378|17.559965|8.810987|6.202890|4.659447|4.616062|1.666331|1.533721|1.602815|0.036213|0.035182|0.032509|0.033125|0.032335|0.035848|0.039846|0.051684|0.043729|0.046156|0.074783|0.118853|0.105273|0.212287|0.224595|0.305229|0.500000| |1.165809|1.166684|2.253131|1.273391|2.126289|1.396125|1.396523|1.516747|1.677262|1.678026|1.518343|2.502709|2.108373|3.965948|2.274532|2.075909|2.215388|19.707846|2.708918|4.228035|3.966399|8.155728|4.280246|8.384206|0.209438|6.119132|8.803614|17.519777|8.886053|7.152259|5.591506|1.964457|1.742873|1.784549|0.033719|0.032843|0.030488|0.031781|0.031048|0.036310|0.041570|0.050203|0.041653|0.049167|0.078596|0.110674|0.101748|0.134859|0.141867|0.226033|0.175787|0.500000| |1.118607|1.110997|2.128641|1.194041|1.996613|1.295072|1.284981|1.378044|1.513274|1.530975|1.405327|2.216909|1.837472|3.477931|1.933519|1.771734|1.858491|15.879935|2.230452|3.452461|3.076600|5.918365|3.459980|6.362753|0.137797|5.497793|8.947291|17.585173|8.850280|5.513560|4.432495|1.672433|1.513333|1.553625|0.032428|0.031493|0.029386|0.030302|0.029539|0.033529|0.037594|0.045702|0.038904|0.043449|0.066357|0.092520|0.086721|0.124262|0.140018|0.204768|0.228574|0.306528|0.500000| |1.134645|1.134424|2.175436|1.227529|2.059442|1.332707|1.330666|1.429292|1.559514|1.563775|1.436389|2.284730|1.886979|3.553408|1.984891|1.817811|1.903686|16.227115|2.284656|3.519719|3.108876|5.973084|3.414266|6.283232|0.129819|4.680044|5.467522|8.911517|17.579238|8.985027|5.460654|1.712256|1.543148|1.593933|0.033015|0.031673|0.029800|0.031181|0.030050|0.034816|0.039175|0.046256|0.039514|0.044913|0.067549|0.085537|0.089456|0.103234|0.132446|0.123741|0.137421|0.207042|0.226629|0.500000| |1.232026|1.223230|2.351657|1.316635|2.192963|1.430443|1.412517|1.511523|1.665394|1.696103|1.558657|2.418912|2.011285|3.876593|2.068093|1.853493|1.902985|16.141309|2.371568|3.775600|3.344277|6.075706|3.995624|7.646503|0.141492|6.441906|6.874251|8.754545|17.515930|8.765064|6.669989|1.689177|1.542990|1.619728|0.036083|0.034426|0.032261|0.033557|0.032220|0.036726|0.040990|0.050706|0.043230|0.046926|0.074202|0.100047|0.107698|0.133066|0.208860|0.138852|0.181994|0.173554|0.202285|0.305292|0.500000| |1.230987|1.244500|2.418265|1.380021|2.307463|1.525309|1.541667|1.690515|1.867005|1.839628|1.651412|2.814695|2.387982|4.459863|2.603066|2.353314|2.515082|22.797245|3.149118|4.931358|4.671716|9.778157|4.724025|9.076275|0.208069|5.135154|5.148057|6.927243|8.852403|17.538182|8.922413|2.196786|1.924517|1.995350|0.035727|0.034393|0.032086|0.034137|0.032974|0.040061|0.046636|0.054587|0.044793|0.055440|0.089972|0.109281|0.117828|0.113341|0.133055|0.125810|0.115506|0.220071|0.146500|0.213735|0.172928|0.500000| |1.260726|1.271548|2.462862|1.400364|2.342215|1.538045|1.545422|1.677515|1.841369|1.830065|1.661516|2.722614|2.277153|4.304145|2.396614|2.151742|2.235122|19.314403|2.793567|4.384961|3.893815|7.314684|4.197555|7.555441|0.146296|4.680969|4.394942|5.469692|8.842692|17.554275|9.111173|1.967590|1.764300|1.856267|0.036844|0.034997|0.032901|0.035091|0.033493|0.040232|0.046040|0.054063|0.045281|0.053296|0.083690|0.097146|0.114988|0.103908|0.137077|0.102898|0.106779|0.145498|0.124751|0.222601|0.208939|0.304811|0.500000| |1.468599|1.469213|2.879770|1.620349|2.665598|1.798653|1.774921|1.929565|2.179325|2.225535|1.995760|3.203466|2.756680|5.504539|2.786373|2.375605|2.381989|20.615147|3.268069|5.619153|5.100330|8.328629|6.808396|12.424414|0.182419|7.284567|5.180696|5.057588|6.465472|8.755462|17.618900|2.033325|1.860385|2.016589|0.043326|0.040945|0.037958|0.040270|0.038347|0.045448|0.051871|0.067574|0.054939|0.060898|0.112504|0.145728|0.210192|0.156437|0.244190|0.117671|0.125720|0.127060|0.112170|0.137946|0.190527|0.173668|0.218521|0.500000| |1.450025|1.471656|2.906526|1.662036|2.744322|1.871632|1.885219|2.095609|2.375606|2.350846|2.063460|3.620616|3.193028|6.191516|3.400521|2.876001|2.948216|26.983748|4.224018|7.352676|7.190395|12.313707|7.614437|12.366659|0.217413|5.602292|4.423986|4.580761|5.425447|8.915057|17.654379|2.453148|2.182499|2.364365|0.042412|0.040436|0.037388|0.040331|0.038629|0.048228|0.057144|0.070812|0.055666|0.069581|0.135426|0.148638|0.209547|0.129297|0.152509|0.109142|0.102919|0.129247|0.101592|0.124460|0.137365|0.221887|0.218226|0.301606|0.500000| |1.308156|1.381414|2.731066|1.640342|2.797597|1.873051|2.042881|2.388992|2.539542|2.236113|1.944632|4.217198|3.285928|5.022421|4.307496|5.927084|8.759971|41.764502|4.249102|4.481908|2.991277|5.603085|2.422287|3.010279|0.065576|1.919040|1.820774|1.813562|1.770183|1.986891|2.118082|17.578690|8.661446|5.655737|0.036508|0.037005|0.033894|0.037348|0.037875|0.053789|0.071260|0.062680|0.049861|0.095139|0.082043|0.065383|0.063207|0.053345|0.049616|0.052512|0.045999|0.054647|0.046469|0.046891|0.045928|0.059641|0.052734|0.053989|0.064529|0.500000| |1.333674|1.419761|2.812111|1.706073|2.926136|1.955328|2.169117|2.563748|2.675559|2.304333|2.005418|4.469442|3.418475|5.141238|4.475618|6.300875|8.878857|40.532948|4.298941|4.501506|2.973083|5.521430|2.406950|3.003646|0.064633|1.893368|1.779990|1.794961|1.793775|2.048771|2.183205|17.538866|8.651794|6.201440|0.037343|0.037395|0.034539|0.038713|0.038770|0.057465|0.078263|0.063615|0.050932|0.103303|0.082820|0.063388|0.064069|0.051976|0.049610|0.050461|0.045013|0.053773|0.045831|0.047724|0.046627|0.061399|0.055329|0.055843|0.067813|0.302575|0.500000| |1.455095|1.557011|3.106170|1.895007|3.238702|2.191813|2.445537|2.914024|3.037859|2.591466|2.245543|5.062167|3.644455|5.356562|4.460624|6.489385|6.573078|30.193780|3.837458|4.111658|2.628917|4.645419|2.212292|2.685281|0.056939|1.746504|1.632881|1.594598|1.563953|1.735436|1.883006|8.811113|17.587437|8.814572|0.040175|0.041355|0.037521|0.041781|0.043104|0.064412|0.088785|0.070913|0.056601|0.120313|0.079539|0.060769|0.059203|0.049341|0.045700|0.046857|0.041852|0.047048|0.041046|0.041231|0.041322|0.050767|0.046361|0.049176|0.056884|0.225385|0.175555|0.500000| |1.423060|1.537073|3.053681|1.885670|3.267883|2.169704|2.477113|2.954922|2.953050|2.470824|2.171440|4.838523|3.375365|4.959817|4.038244|5.794361|5.853560|27.374643|3.478706|3.776373|2.436379|4.326427|2.063693|2.539511|0.053540|1.645888|1.539603|1.524328|1.519178|1.698558|1.827534|8.654678|17.602360|8.658514|0.039347|0.040012|0.036810|0.041714|0.042504|0.066519|0.093657|0.066265|0.054345|0.118542|0.073261|0.055634|0.055992|0.045933|0.043535|0.043665|0.039548|0.044860|0.039288|0.040347|0.040173|0.049690|0.046021|0.047896|0.055704|0.189483|0.219668|0.303003|0.500000| |1.690740|1.851775|3.780481|2.384913|4.071280|2.876789|3.427249|4.482637|4.495537|3.430673|2.884839|8.114660|5.155571|6.908657|5.984224|8.818454|6.361632|30.041715|4.442615|4.686032|2.849377|4.831866|2.404183|2.866062|0.059172|1.832947|1.668619|1.634788|1.652418|1.876366|2.079966|6.206580|8.687209|17.498042|0.047026|0.047305|0.043133|0.050280|0.050618|0.089262|0.151220|0.089451|0.069703|0.234274|0.093834|0.064028|0.066933|0.051286|0.048921|0.046763|0.042819|0.047581|0.041686|0.043393|0.044085|0.054061|0.051097|0.055126|0.064479|0.130109|0.159970|0.176161|0.221432|0.500000| |1.760621|1.917034|3.938375|2.461684|4.143436|2.992491|3.476895|4.511880|4.775067|3.713190|3.070842|8.697764|5.473677|7.298492|6.128359|8.711915|6.006149|29.062299|4.432255|4.718424|2.842854|4.762812|2.422130|2.845625|0.058843|1.844459|1.679362|1.618040|1.607870|1.798368|2.005170|5.665205|8.702527|17.557947|0.048579|0.050020|0.044729|0.051148|0.052826|0.088614|0.141741|0.098145|0.074392|0.239465|0.096019|0.066349|0.066727|0.052491|0.048818|0.047605|0.043212|0.047029|0.041359|0.041983|0.043014|0.051624|0.048315|0.053242|0.061080|0.129959|0.130142|0.227070|0.190513|0.301638|0.500000| 1823.596717 -11034.868230 4217.132753 -219.308135 -5213.446895 3387.932144 -1825.514751 2.001052 40B5000000000011 44CB092DF9EB10FB 444B930D3C17869C 4270DCDDA3CA0000 37EA22391F5F0C03 4431F3572C026F48