Version2.4 2021-06-06T22:36:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)c1ccc(cc1)[C@H]2c3c(nc(nc3[O-])SCc4ccc(cc4)[N+](=O)[O-])NC5=C2C(=O)CCC5 C17113625 RHF 6-31G(d) (6D,7F) CC(C)c1ccc(cc1)[C@H]2c3c(nc(nc3[O-])SCc4ccc(cc4)[N+](=O)[O-])NC5=C2C(=O)CCC5 C01[X(C27H25N4O4S1)] 177 C1 594 CC(c1ccc(cc1)[C@@H]1C2=C(CCCC2=O)Nc2c1c([O-])nc(n2)SCc1ccc(cc1)[N+](=O)[O-])C CC(c1ccc(cc1)[C@@H]1C2=C(CCCC2=O)Nc2c1c([O-])nc(n2)SCc1ccc(cc1)[N+](=O)[O-])C CC(C)c1ccc(cc1)[C@@H]2C3=C(CCCC3=O)Nc4nc(SCc5ccc(cc5)[N+]([O-])=O)nc([O-])c24 InChIKey=RQEJXHCOOKBMRW-JOCHJYFZSA-M InChI=1S/C27H26N4O4S/c1-15(2)17-8-10-18(11-9-17)22-23-20(4-3-5-21(23)32)28-25-24(22)26(33)30-27(29-25)36-14-16-6-12-19(13-7-16)31(34)35/h6-13,15,22H,3-5,14H2,1-2H3,(H2,28,29,30,33)/p-1/t22-/m1/s1 InChI=1/C27H26N4O4S/c1-15(2)17-8-10-18(11-9-17)22-23-20(4-3-5-21(23)32)28-25-24(22)26(33)30-27(29-25)36-14-16-6-12-19(13-7-16)31(34)35/h6-13,15,22H,3-5,14H2,1-2H3,(H2,28,29,30,33)/p-1/t22-/m1/s1/fC27H25N4O4S/h28H/q-1 CC(C)c1ccc(cc1)[C@H]2c3c(nc(nc3[O-])SCc4ccc(cc4)[N+](=O)[O-])NC5=C2C(=O)CCC5 C01[X(C27H25N4O4S1)] 177 C01 594 CC(c1ccc(cc1)[C@@H]1C2=C(CCCC2=O)Nc2c1c([O-])nc(n2)SCc1ccc(cc1)[N+](=O)[O-])C O=C1CCCC2=C1[C@@H]([C]1[CH][CH][C]([CH][CH]1)C(C)C)[C]1[C]([N][C]([N][C]1=O)SC[C]1[CH][CH][C]([CH][CH]1)[N]([O])[O])N2 CC(C)[C]1[CH][CH][C]([CH][CH]1)[C@H]2[C]3[C]([N][C]([N]C3=O)SC[C]4[CH][CH][C]([CH][CH]4)N([O])[O])NC5=C2C(=O)CCC5 InChIKey=QFLHMRSOEGHFPG-JOCHJYFZSA-N InChI=1S/C27H25N4O4S/c1-15(2)17-8-10-18(11-9-17)22-23-20(4-3-5-21(23)32)28-25-24(22)26(33)30-27(29-25)36-14-16-6-12-19(13-7-16)31(34)35/h6-13,15,22H,3-5,14H2,1-2H3,(H,28,29)/t22-/m1/s1 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28.3410 37.9293 47.8649 54.6254 61.8909 68.5359 73.0358 80.6601 105.5594 108.5632 128.5616 143.3732 163.0201 185.8834 201.1299 229.7748 231.7279 244.6386 248.2765 255.9794 266.4375 280.9040 291.6052 322.2435 334.5489 346.2956 370.2550 376.3358 382.8274 386.1998 421.9068 448.3792 456.9374 459.2785 488.2356 496.3777 511.6734 521.9094 536.8737 555.6163 578.1844 578.4714 596.7188 612.0427 627.8846 650.4322 671.8643 685.9768 693.3791 699.8270 708.9889 735.4979 748.1054 765.2798 776.1147 798.5671 806.6348 814.3314 828.9868 831.2088 859.9302 879.1529 885.5088 900.7218 924.7757 940.1294 946.9540 948.4669 959.4380 965.2390 966.4921 982.9447 986.2954 988.7654 991.8973 1009.8699 1038.8394 1057.7306 1076.2013 1086.7740 1093.6583 1109.7768 1113.8563 1114.3746 1116.3340 1146.8560 1159.7104 1164.1827 1187.5923 1202.8935 1207.2062 1213.9597 1222.2835 1224.3788 1238.5975 1248.0145 1260.6090 1284.1354 1287.4854 1305.0776 1306.6530 1313.3271 1320.6083 1321.5420 1331.0054 1342.8553 1353.0531 1366.8481 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3.7028 4.4908 6.8430 6.4754 5.3147 4.4967 8.3060 4.8442 4.6493 3.4657 6.9758 4.7759 3.2204 4.1945 4.6465 5.4231 5.7198 5.3056 5.0925 1.2755 1.9457 1.2488 1.6105 2.5620 9.8508 2.0567 2.6910 2.2398 1.5121 1.1531 1.5643 6.3186 1.4314 1.3708 2.9695 1.3685 1.3558 2.9542 3.0770 3.7091 1.9575 2.2793 2.0741 1.8406 1.6104 3.5038 1.3038 2.1174 3.0063 3.0016 1.3038 3.1046 3.2395 2.2425 1.3760 1.1611 2.3678 2.3685 2.5387 1.8680 2.3441 1.9181 2.1888 1.3378 1.4951 1.5666 3.2833 1.2982 1.7973 1.3177 1.7014 1.8831 1.3614 1.5535 2.1035 1.2735 1.2607 2.7876 5.1001 2.3547 1.1274 2.1030 1.2915 1.3211 4.6197 1.0477 1.0512 1.0505 1.1157 1.0642 7.5636 2.3796 2.3438 7.5450 5.6370 5.3556 4.6023 5.4798 10.0462 11.5527 12.6417 12.0197 1.0665 1.0398 1.0722 1.0659 1.0578 1.0654 1.0934 1.1044 1.0988 1.0991 1.0851 1.1027 1.0943 1.1024 1.0594 1.0884 1.0901 1.1096 1.0933 1.0921 1.0920 1.0936 1.0943 1.0942 1.0783 0.0003 0.0004 0.0006 0.0017 0.0041 0.0040 0.0067 0.0065 0.0172 0.0157 0.0232 0.0279 0.0321 0.0318 0.0455 0.0684 0.1193 0.0896 0.2166 0.2077 0.1241 0.1624 0.0854 0.0532 0.0816 0.1212 0.0991 0.2612 0.3745 0.2839 0.4757 0.5582 0.2530 0.3030 0.6266 0.7672 0.3687 0.3687 0.8890 0.3935 0.5180 0.2267 0.6752 0.6702 1.3812 1.0172 0.6814 1.0746 0.8924 1.0080 0.9848 1.2451 1.9384 1.8685 1.5740 1.4332 2.7388 1.6715 1.6500 1.3022 2.6742 1.8660 1.3039 1.7075 2.0244 2.4696 2.6425 2.5361 2.5660 0.6642 1.0280 0.6619 0.8735 1.4063 5.4215 1.1708 1.5424 1.2902 0.8765 0.6929 0.9946 4.1651 0.9768 0.9539 2.0927 0.9930 0.9911 2.1615 2.2593 2.8743 1.5511 1.8201 1.7235 1.5691 1.3828 3.0422 1.1476 1.8702 2.7173 2.7545 1.2207 3.0163 3.1638 2.2503 1.3841 1.1799 2.4330 2.4371 2.6498 1.9847 2.5284 2.1114 2.4496 1.5475 1.7498 1.8870 4.0261 1.6255 2.2991 1.7035 2.2015 2.5082 1.8502 2.1284 2.9318 1.8039 1.8244 4.0770 7.5893 3.5136 1.7305 3.2610 2.0124 2.0684 7.2490 1.6466 1.6621 1.6794 1.7878 1.7126 12.3681 3.9343 3.9516 13.8409 10.3863 10.2208 8.8543 10.6864 20.0441 23.3584 25.6872 26.7962 6.3677 6.2242 6.4191 6.3911 6.3749 6.4416 6.7070 6.8401 6.8119 6.8495 6.8081 6.9377 6.9029 6.9590 6.7499 7.1317 7.1530 7.3019 7.3145 7.3605 7.3632 7.4478 7.6067 7.6060 9.5373 0.0500 0.1363 0.1797 0.2357 1.6183 0.2178 5.2414 2.9320 0.6061 4.1165 1.1883 4.1098 2.0401 3.6216 0.9058 2.5780 1.8703 0.0443 1.8469 0.7095 0.4371 1.1150 4.4950 0.9074 0.5609 5.5022 2.5831 5.1660 4.6978 2.2403 1.0802 1.2369 0.1781 0.3979 0.5828 12.0387 1.6932 0.0032 1.0158 12.9324 1.1625 77.1030 6.8343 12.3646 5.1806 21.4156 8.5266 15.5349 2.4618 8.8052 31.4067 6.3964 1.1843 0.7326 3.7101 5.9087 5.3800 0.8636 4.8615 2.7158 5.3762 0.2003 43.1483 3.7580 4.0579 11.8918 22.0556 17.1966 74.4529 0.5911 15.0564 0.0077 6.6733 1.1199 53.8682 23.3419 21.8847 18.6990 0.1612 0.7553 0.0123 197.3902 3.8302 0.7321 10.7463 0.5283 0.0112 1.8776 3.5424 16.1583 12.5408 6.8995 8.2407 4.5137 0.0570 3.2235 12.6382 1.5894 59.2433 2.4325 29.6255 9.8989 8.5399 10.9947 4.7778 0.8486 40.4443 46.2496 133.6650 4.4289 17.2019 22.3129 55.7852 13.8578 108.3279 118.1927 600.7047 0.3471 14.9759 3.2756 0.5065 47.1377 16.7041 11.4472 283.1155 2.1307 1.6951 0.8514 288.4744 80.3400 22.7967 93.1881 61.9902 16.7540 564.7723 0.0331 1.1903 4.3105 1.4769 2.6979 965.7106 2.8241 23.3033 99.7059 2.2426 110.5842 11.7654 1.1063 431.3732 389.3950 648.2451 370.4345 35.2905 29.2638 22.3567 48.4666 58.6680 38.4197 53.6197 81.2797 5.1720 138.9247 7.4150 36.0612 36.2780 43.2994 7.7681 34.2069 46.3908 1.6326 21.5325 9.3301 6.3040 7.2383 0.1994 0.2077 73.7891 0.3828 3.9242 6.6494 2.6361 0.8666 1.7908 5.3841 3.6247 0.1334 0.3642 0.1867 0.5983 0.5527 0.5371 0.6505 0.8902 0.4158 0.3455 0.3736 1.3924 1.7750 0.3284 0.7705 0.8027 0.5973 1.0885 0.4482 0.9549 1.4412 3.3847 1.4931 1.4379 1.6597 0.9312 0.4147 2.9685 0.1077 0.0069 5.0106 3.5822 5.5544 6.9758 1.6981 0.7185 0.9766 3.1332 2.4438 3.7972 3.3827 3.7598 1.8337 1.4882 7.6015 5.3309 1.7980 4.9564 0.6911 24.1323 4.5319 2.3848 3.7407 4.5785 19.7521 4.0465 14.4366 22.5273 8.9197 5.4548 23.6085 2.3018 1.2150 2.1113 0.8290 10.3585 19.6530 2.6920 6.9890 5.3519 1.1168 0.5496 10.0299 9.7173 3.2739 0.3150 2.9954 4.3561 0.0315 6.5778 0.3460 7.2274 5.6515 1.9571 4.5830 0.3885 0.1399 1.3339 5.0092 4.5825 125.8502 6.9326 2.8749 3.5517 1.4165 3.3539 1.4676 10.1475 7.6454 29.5936 11.4647 12.2609 5.4583 5.2226 10.8165 10.5684 105.3294 7.2503 1.7861 0.4095 3.3107 12.4171 4.7789 18.6099 3.9471 0.4819 4.0512 1.1552 2.0338 0.5669 9.5725 4.5104 17.9943 49.8695 128.0535 17.6324 278.9923 30.7632 2.5231 31.8554 7.1333 4.4364 44.5661 26.6904 0.5142 0.2725 3.0476 325.6828 22.9788 97.5882 129.0421 0.4298 19.4707 62.0717 117.1119 3.9750 93.1677 125.1900 237.3305 129.2679 123.2783 108.5032 9.3944 176.0573 33.7326 38.4059 123.6733 52.6277 59.4905 52.1536 95.1085 28.9765 53.0418 49.8869 67.0208 76.6783 110.1928 51.8242 82.8353 0.7353 0.7499 0.7496 0.7430 0.7366 0.7451 0.7247 0.7500 0.7444 0.7463 0.7487 0.4033 0.4840 0.6220 0.1597 0.5399 0.0866 0.4763 0.5574 0.0897 0.5767 0.7459 0.7440 0.7464 0.3991 0.1186 0.7492 0.5279 0.6915 0.7498 0.7298 0.2168 0.7136 0.1559 0.7395 0.3714 0.1667 0.7291 0.4799 0.4984 0.0546 0.6214 0.3299 0.2335 0.7373 0.6793 0.5755 0.0850 0.7232 0.1603 0.4733 0.5326 0.7498 0.7434 0.6749 0.6897 0.6289 0.1297 0.0364 0.1982 0.0884 0.0160 0.1841 0.1647 0.1244 0.5910 0.1829 0.1659 0.2208 0.7392 0.7037 0.7500 0.5082 0.7497 0.1285 0.0656 0.2590 0.3224 0.7497 0.7500 0.7473 0.2939 0.7131 0.5789 0.2678 0.7140 0.5988 0.5181 0.7001 0.1463 0.4769 0.6560 0.3100 0.7164 0.7360 0.7265 0.7499 0.7485 0.2548 0.1762 0.5535 0.2607 0.6747 0.3009 0.5706 0.1494 0.3124 0.0715 0.6597 0.2393 0.7465 0.7340 0.5096 0.7472 0.3785 0.5649 0.7343 0.7495 0.2871 0.7485 0.4662 0.3862 0.7221 0.3729 0.3867 0.7499 0.7434 0.7423 0.2968 0.4088 0.7323 0.5639 0.3416 0.7499 0.2604 0.7474 0.7409 0.7438 0.5960 0.3065 0.3589 0.3380 0.4980 0.7455 0.7467 0.4259 0.7032 0.4642 0.2323 0.7493 0.1040 0.3527 0.2222 0.5619 0.2686 0.3578 0.0632 0.2406 0.2716 0.5264 0.7088 0.6856 0.1945 0.7162 0.3771 0.6395 0.0395 0.5032 0.3292 0.7495 0.1434 0.6725 0.2023 0.2041 0.1716 0.4407 0.1595 0.8475 0.8570 0.8569 0.8526 0.8483 0.8540 0.8404 0.8571 0.8535 0.8547 0.8563 0.5748 0.6522 0.7669 0.2754 0.7012 0.1594 0.6453 0.7158 0.1647 0.7315 0.8545 0.8532 0.8548 0.5705 0.2121 0.8566 0.6910 0.8176 0.8570 0.8438 0.3563 0.8329 0.2697 0.8502 0.5416 0.2858 0.8433 0.6486 0.6653 0.1036 0.7665 0.4961 0.3786 0.8488 0.8090 0.7306 0.1566 0.8394 0.2763 0.6425 0.6951 0.8570 0.8528 0.8059 0.8164 0.7722 0.2295 0.0702 0.3309 0.1624 0.0315 0.3109 0.2828 0.2213 0.7429 0.3092 0.2847 0.3618 0.8500 0.8261 0.8571 0.6739 0.8570 0.2277 0.1231 0.4114 0.4876 0.8570 0.8571 0.8554 0.4543 0.8325 0.7333 0.4225 0.8331 0.7491 0.6826 0.8236 0.2552 0.6458 0.7923 0.4733 0.8348 0.8479 0.8416 0.8571 0.8561 0.4061 0.2996 0.7125 0.4135 0.8057 0.4626 0.7266 0.2600 0.4761 0.1334 0.7949 0.3862 0.8548 0.8466 0.6752 0.8553 0.5492 0.7220 0.8468 0.8568 0.4461 0.8562 0.6359 0.5572 0.8386 0.5432 0.5578 0.8571 0.8528 0.8521 0.4578 0.5803 0.8455 0.7211 0.5092 0.8571 0.4133 0.8554 0.8512 0.8531 0.7469 0.4691 0.5282 0.5052 0.6649 0.8542 0.8550 0.5974 0.8258 0.6341 0.3771 0.8567 0.1884 0.5214 0.3636 0.7195 0.4234 0.5270 0.1189 0.3878 0.4272 0.6897 0.8296 0.8135 0.3256 0.8347 0.5476 0.7801 0.0761 0.6695 0.4953 0.8568 0.2508 0.8042 0.3366 0.3391 0.2930 0.6118 0.2751 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 6 6 6 6 6 6 6 6 6 6 1 6 6 7 6 7 6 8 16 6 6 6 6 6 6 6 7 8 8 7 6 6 6 8 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 15.99491 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 15.99491 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 10490.9560 48031.9455 54736.4486 0.99995 0.00779 -0.00569 -0.00781 0.99997 -0.00281 0.00567 0.00285 0.99998 1 0.00826 0.00180 0.00158 0.17203 0.03757 0.03297 12.04 20.35 22.47 33.23 40.78 54.57 68.87 78.59 89.05 98.61 105.08 116.05 151.88 156.20 184.97 206.28 234.55 267.44 289.38 330.59 333.40 351.98 357.21 368.30 383.34 404.16 419.55 463.64 481.34 498.24 532.71 541.46 550.80 555.66 607.03 645.12 657.43 660.80 702.46 714.18 736.18 750.91 772.44 799.41 831.88 832.29 858.55 880.59 903.39 935.83 966.66 986.97 997.62 1006.90 1020.08 1058.22 1076.36 1101.07 1116.66 1148.96 1160.57 1171.64 1192.73 1195.92 1237.25 1264.90 1274.05 1295.94 1330.55 1352.64 1362.46 1364.63 1380.42 1388.76 1390.57 1414.24 1419.06 1422.61 1427.12 1452.98 1494.66 1521.84 1548.41 1563.63 1573.53 1596.72 1602.59 1603.34 1606.16 1650.07 1668.56 1675.00 1708.68 1730.70 1736.90 1746.62 1758.59 1761.61 1782.07 1795.61 1813.74 1847.58 1852.40 1877.72 1879.98 1889.58 1900.06 1901.40 1915.02 1932.07 1946.74 1966.59 1982.96 2015.96 2027.81 2057.20 2075.65 2097.45 2120.03 2131.21 2132.17 2163.24 2185.19 2194.00 2212.90 2230.86 2254.83 2266.84 2286.55 2289.69 2322.26 2334.11 2339.84 2345.40 2348.02 2349.83 2356.93 2369.96 2372.81 2377.79 2396.94 2410.21 2433.83 2538.75 2544.32 2589.44 2599.92 2617.59 2647.65 2665.31 2671.92 2798.71 4580.10 4585.96 4586.38 4589.85 4601.49 4608.93 4642.38 4664.88 4667.11 4679.34 4695.22 4701.63 4707.71 4709.51 4731.29 4798.14 4801.56 4808.35 4848.32 4866.25 4867.21 4891.58 4941.90 4942.01 5574.54 0.516453 0.546341 0.547286 0.448919 -1951.226911 -1951.197022 -1951.196078 -1951.294444 3.299212D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE CC(C)c1ccc(cc1)[C@H]2c3c(nc(nc3[O-])SCc4ccc(cc4)[N+](=O)[O-])NC5=C2C(=O)CCC5 C17113625 RHF 6-31G(d) (6D,10F) C1 501.159652 |X|Y|Z| 70.743007 156.606633 35.129156 73.010803 28 6 7 16 24 3 1 |36.858105| |12.409595|36.858105| |7.533511|12.410193|36.858105| |7.510025|12.517441|7.511627|36.858105| |5.301986|7.529735|5.310128|13.730601|36.858105| |3.998855|4.993118|4.002563|7.869542|13.737643|36.858105| |3.711552|4.379623|3.710608|6.736493|7.889281|13.738152|36.858105| |4.296659|4.984978|4.296959|7.882368|6.939695|8.021405|13.690877|36.858105| |6.048065|7.477255|6.048789|13.685498|8.022818|6.919809|7.872470|13.773018|36.858105| |2.875510|3.238875|2.878567|4.369324|4.988325|7.514123|12.432794|7.447577|4.968595|36.858105| |2.708549|3.040460|2.672325|3.989489|4.826093|7.418581|9.026476|5.627492|4.213152|17.607095|0.500000| |2.534249|2.890726|2.709855|3.725033|4.101283|5.525007|7.541261|5.824209|4.219734|12.574887|0.249787|36.858105| |2.325587|2.590225|2.492662|3.217596|3.343146|4.135220|5.479117|5.021359|3.762673|7.589463|0.161632|14.061386|36.858105| |2.078898|2.313627|2.290137|2.770605|2.846374|3.356795|4.100087|3.907836|3.160175|5.040919|0.118958|7.934656|14.204928|53.358707| |2.021266|2.288174|2.283797|2.715733|2.852794|3.349582|3.870199|3.566754|2.983857|4.589016|0.114454|7.224729|8.627326|19.657152|36.858105| |2.114197|2.438864|2.408165|2.925766|3.190963|3.832488|4.248525|3.696679|3.111694|4.997705|0.130296|7.915122|7.111513|10.932251|14.743635|53.358707| |2.374878|2.767485|2.641685|3.463127|3.944246|5.139109|5.821047|4.571104|3.669667|7.380866|0.193897|13.136542|7.960731|9.231172|8.299608|18.723967|36.858105| |2.428526|2.868154|2.689362|3.579354|4.330459|5.759548|5.697036|4.270854|3.580702|6.571088|0.198795|8.134744|5.413077|6.441779|5.584403|11.428143|15.652580|73.516695| |1.750036|1.956705|1.996122|2.233194|2.303973|2.582928|2.862659|2.740173|2.413837|3.204834|0.082655|4.299457|4.971083|9.991789|10.609126|9.774620|4.821828|6.882699|388.023441| |1.689074|1.909917|1.954742|2.150713|2.262766|2.506763|2.649021|2.481516|2.244418|2.884694|0.077233|3.702516|3.818257|6.482471|6.832750|9.228818|4.570833|7.114515|74.363021|36.858105| |1.512896|1.690791|1.745301|1.863645|1.937537|2.100511|2.197931|2.096742|1.934796|2.353184|0.063344|2.876949|2.997933|4.945929|4.588850|6.009900|3.356414|5.431061|49.713668|12.632838|36.858105| |1.380726|1.525819|1.560235|1.674264|1.746334|1.895940|1.978376|1.878983|1.733283|2.141798|0.058380|2.565486|2.674880|4.327720|3.833076|5.022538|2.932724|4.818372|38.498752|7.555327|13.676992|36.858105| |1.269541|1.392684|1.430633|1.509075|1.562499|1.674679|1.737871|1.667946|1.557212|1.857622|0.050677|2.170595|2.262661|3.582028|3.037101|3.980001|2.424067|4.041321|28.800214|5.017451|7.886938|13.798041|36.858105| |1.261940|1.385204|1.438888|1.487280|1.526205|1.615738|1.671559|1.623447|1.532846|1.756810|0.047614|2.036045|2.121666|3.336721|2.796114|3.663181|2.256620|3.775488|26.172987|4.457071|6.886871|8.007665|13.763323|36.858105| |1.357693|1.501729|1.576796|1.611179|1.644379|1.731575|1.792248|1.752804|1.662653|1.861820|0.050030|2.173407|2.264079|3.582138|3.037327|3.977617|2.422978|4.032825|28.823590|5.017455|7.887049|6.866754|7.881808|13.763024|36.858105| |1.495242|1.671303|1.753674|1.815722|1.861853|1.978936|2.058985|2.001697|1.880919|2.148182|0.057407|2.570090|2.677197|4.327896|3.833510|5.017782|2.930813|4.804121|38.553701|7.555233|13.676736|7.951467|6.866499|8.007372|13.797874|36.858105| |1.158431|1.261858|1.311794|1.342096|1.371362|1.440288|1.484035|1.449155|1.379133|1.549961|0.042116|1.763921|1.833817|2.831972|2.311973|3.039525|1.925295|3.252587|20.631838|3.326426|4.515400|5.138932|7.785730|13.112856|7.785283|5.138733|53.358707| |1.097137|1.189235|1.228122|1.265125|1.296500|1.365117|1.405685|1.367645|1.298793|1.476517|0.040330|1.669370|1.733559|2.658231|2.150810|2.833077|1.812824|3.074453|18.842631|2.987404|3.890922|4.677737|7.071943|8.374853|5.418211|4.094528|21.676560|73.516695| |1.145071|1.246075|1.304614|1.315662|1.336102|1.391462|1.430307|1.407233|1.350144|1.478332|0.040043|1.670454|1.734073|2.658192|2.150824|2.832274|1.812398|3.071148|18.847678|2.987345|3.890851|4.094628|5.418435|8.374916|7.071316|4.677450|21.677835|16.036372|73.516695| |2.327203|2.510678|2.394822|3.087851|3.106526|3.738783|5.042711|5.009674|3.729117|6.686911|0.142191|8.011176|13.656491|11.274639|5.489649|6.368580|5.169686|7.190600|27.709190|3.048457|2.527345|2.307952|2.003784|1.893307|2.002650|2.306231|2.267628|2.818668|2.817722|53.358707| |2.442952|2.581921|2.385533|3.208132|3.255926|3.982483|5.486089|5.314585|3.872904|7.608084|0.161899|6.838417|7.938640|7.303917|4.151041|5.247869|4.516257|6.761624|22.084547|2.585844|2.184931|2.026305|1.782042|1.685488|1.768445|2.006553|2.042959|2.556730|2.545517|19.007361|36.858105| |2.690633|2.874386|2.566255|3.701880|3.928226|5.145799|7.515375|6.290447|4.372450|12.510855|0.249043|7.665291|6.813364|6.296603|3.910773|5.328716|4.977542|7.830456|20.566708|2.525157|2.119882|1.963506|1.725167|1.631599|1.713005|1.945785|1.979007|2.477747|2.467694|10.981032|14.139993|36.858105| |2.661841|2.745668|2.392896|3.437299|3.672162|4.606361|5.835161|5.041731|3.881722|7.413513|0.196380|4.986493|4.489248|4.670885|3.035255|4.200120|3.788760|6.403978|16.935162|2.141844|1.840541|1.729509|1.540382|1.459530|1.520363|1.701557|1.790442|2.255621|2.238067|7.007316|7.814074|12.991811|36.858105| |2.763409|2.851872|2.424898|3.565085|3.980477|5.038982|5.758543|4.700421|3.807032|6.654202|0.203095|4.445223|3.809024|4.103390|2.776495|3.964232|3.617036|6.452522|15.693513|2.043032|1.761827|1.658906|1.481829|1.405472|1.462561|1.632233|1.728817|2.180529|2.163391|5.517255|5.382672|8.122445|15.849621|73.516695| |2.369985|2.371146|2.106721|2.834229|2.912360|3.408317|4.102717|3.906637|3.205396|4.814608|0.127135|3.799419|3.725143|4.096739|2.630916|3.534196|3.015976|5.052951|15.289638|1.916014|1.679068|1.595105|1.436198|1.362973|1.410844|1.560873|1.685982|2.133801|2.110536|6.144885|6.658608|7.434843|12.507095|14.371378|36.858105| |2.341389|2.328361|2.116529|2.754956|2.721843|3.101983|3.829314|3.939626|3.236266|4.350617|0.107880|3.688841|3.884413|4.325189|2.686640|3.491256|2.892242|4.707342|15.792235|1.930203|1.700549|1.608686|1.452854|1.386220|1.440382|1.591948|1.715974|2.165722|2.154198|6.979348|7.591614|6.612927|7.515959|9.401286|12.504803|36.858105| |2.223068|2.274875|2.114489|2.715686|2.698548|3.134503|3.986785|4.063453|3.226075|4.853640|0.115427|4.452402|5.126452|5.570213|3.269683|4.096415|3.344935|5.215531|18.809444|2.217383|1.931088|1.819821|1.627063|1.543726|1.605906|1.790611|1.894384|2.385421|2.366786|10.705027|12.628599|7.551126|6.508226|8.203657|7.635718|12.502309|36.858105| |17.513244|8.760317|6.892263|5.474349|4.265399|3.329428|3.084211|3.472082|4.571118|2.479772|0.065606|2.230999|2.066923|2.555472|1.838281|2.612445|2.123034|3.870029|11.509647|1.574819|1.424830|1.304221|1.206866|1.204670|1.295339|1.416907|1.513142|1.872533|1.960574|2.807241|2.146028|2.332567|2.315469|4.271544|2.096220|2.075689|1.977580|0.500000| |17.556885|8.765994|5.478762|6.894028|5.403156|4.143628|3.784237|4.222025|5.569566|2.949424|0.078364|2.531162|2.301643|2.772322|1.974518|2.821582|2.355580|4.318496|12.087047|1.640771|1.467502|1.348177|1.238448|1.224140|1.308681|1.439372|1.530578|1.901042|1.969200|3.156429|2.486436|2.789662|2.844934|5.370894|2.525311|2.443496|2.273810|0.300652|0.500000| |17.542047|8.741853|6.795838|6.719047|4.667467|3.753079|3.696949|4.526356|6.475466|2.892281|0.074176|2.561993|2.397651|2.914202|2.051425|2.874977|2.355668|4.195890|12.645345|1.690771|1.516397|1.383126|1.272621|1.266391|1.363578|1.501088|1.582737|1.956790|2.044845|3.325863|2.565260|2.774344|2.725625|4.912223|2.464236|2.492988|2.359181|0.301500|0.301847|0.500000| |8.956926|17.522237|8.956731|9.014754|7.459235|4.835500|3.989704|4.205382|5.601550|3.035967|0.081526|2.717809|2.407353|2.948391|2.174407|3.199650|2.668789|5.044084|13.308676|1.859586|1.651301|1.495995|1.367698|1.358883|1.468808|1.629993|1.688008|2.081527|2.176201|3.138926|2.374145|2.664730|2.579010|4.858267|2.223763|2.146800|2.096411|0.215127|0.213721|0.173799|0.500000| |6.796100|8.741895|17.543587|6.719544|4.672924|3.756004|3.695666|4.526252|6.475522|2.895332|0.073165|2.752672|2.591065|3.247727|2.342440|3.295423|2.628776|4.639183|14.596016|1.972253|1.763707|1.573401|1.443738|1.455281|1.598571|1.778123|1.805626|2.204687|2.348628|3.437663|2.496041|2.632838|2.428062|4.288533|2.161316|2.216477|2.225232|0.168846|0.139107|0.200365|0.173798|0.500000| |5.479603|8.768905|17.562564|6.898904|5.419259|4.151594|3.783449|4.223771|5.572704|2.955616|0.076469|2.854606|2.600837|3.286621|2.454891|3.572717|2.861245|5.219055|15.259834|2.132634|1.893332|1.675995|1.530471|1.543169|1.703880|1.909533|1.904419|2.318031|2.474555|3.317323|2.386214|2.566217|2.352567|4.234466|2.052281|2.053791|2.086404|0.140848|0.122636|0.139132|0.213729|0.301953|0.500000| |6.891949|8.761373|17.512619|5.475202|4.270037|3.331766|3.083714|3.472176|4.571268|2.481780|0.064931|2.349265|2.182763|2.763525|2.031256|2.904143|2.309289|4.197173|12.866766|1.785871|1.616047|1.453988|1.344234|1.357428|1.483601|1.633438|1.696763|2.077948|2.212932|2.871289|2.106384|2.249361|2.130301|3.854702|1.905825|1.912749|1.899221|0.207245|0.140842|0.168808|0.215175|0.301458|0.300621|0.500000| |4.996275|6.999895|5.011290|8.923106|17.680096|8.948781|5.635803|4.983782|5.674932|4.084753|0.114981|3.488445|2.886956|3.434483|2.572904|3.948459|3.500861|7.049899|15.134459|2.137572|1.849966|1.676448|1.508273|1.475581|1.585562|1.783537|1.812659|2.242043|2.310149|3.641758|2.789261|3.307673|3.179267|6.237598|2.585480|2.398090|2.366488|0.117520|0.143580|0.116775|0.231103|0.117029|0.144392|0.117790|0.500000| |3.378464|4.084510|3.389271|5.625000|8.924946|17.745726|8.957746|5.686007|4.978894|7.020863|0.228436|5.351561|3.921291|4.405734|3.314000|5.326920|5.363522|11.837297|18.229340|2.545493|2.126153|1.934433|1.702582|1.629831|1.734218|1.980792|1.975268|2.454712|2.480594|4.728003|3.693128|4.779473|4.405582|8.917420|3.264958|2.895337|2.937556|0.080857|0.098282|0.087501|0.115205|0.087749|0.098889|0.081056|0.216630|0.500000| |3.714849|4.078127|3.717882|5.634002|4.986265|5.678323|8.910788|17.711017|8.967528|6.906653|0.140935|5.841040|5.617741|5.842209|3.707485|4.973797|4.344139|6.867654|20.277638|2.492809|2.114800|1.899183|1.687273|1.641407|1.769771|2.018073|1.994627|2.459745|2.528258|8.374264|6.459934|6.825864|5.165065|7.943176|4.193954|4.539870|4.868640|0.085796|0.100901|0.112537|0.096583|0.112640|0.101062|0.085842|0.108040|0.124608|0.500000| |6.272425|6.905557|6.278136|8.881878|5.670332|4.973862|5.630188|8.969473|17.682243|4.069454|0.096842|3.624285|3.409637|4.012254|2.752929|3.807760|3.172368|5.416171|16.291991|2.110820|1.846269|1.656416|1.500188|1.486740|1.615622|1.814347|1.830510|2.249267|2.352202|4.735431|3.563938|3.811807|3.434042|5.872494|2.981452|3.118488|3.095374|0.133497|0.150809|0.212204|0.139743|0.212473|0.151041|0.133556|0.124198|0.107923|0.218285|0.500000| |1.663712|1.877713|1.892947|2.125306|2.275580|2.556910|2.676585|2.447672|2.197866|2.977035|0.081591|3.809736|3.803742|6.217922|6.517882|9.742074|4.874892|7.773479|56.473182|17.655336|8.869204|7.115679|4.721309|3.993039|4.208540|5.657159|4.183571|5.055561|4.860262|4.111815|2.608577|2.585793|2.206633|3.769367|1.961931|1.946906|2.228350|0.043033|0.045263|0.046011|0.051157|0.052622|0.057144|0.048089|0.060055|0.073583|0.067730|0.056857|0.500000| |1.809921|2.077273|2.146806|2.339799|2.465592|2.707859|2.823888|2.648336|2.420605|2.988731|0.079674|3.819065|3.805691|6.211210|6.510749|9.713233|4.867994|7.732770|56.474761|17.654600|8.870335|5.660021|4.209807|3.993319|4.720298|7.111742|4.183789|4.860956|5.055247|4.105148|2.576782|2.555622|2.164145|3.697300|1.915299|1.924651|2.188444|0.046849|0.048525|0.050108|0.056269|0.059891|0.066028|0.054226|0.064789|0.076024|0.072865|0.062942|0.304570|0.500000| |1.375077|1.515411|1.533180|1.673639|1.759560|1.931331|2.019610|1.896117|1.733067|2.225059|0.061203|2.671735|2.777625|4.473092|3.960364|5.224285|3.061865|5.029235|37.965779|7.020017|8.917357|17.727662|8.958812|5.679771|4.949569|5.652875|5.673166|7.160701|6.047426|3.252588|2.106922|2.045053|1.803376|3.074649|1.662332|1.665321|1.890095|0.035980|0.037510|0.038223|0.041331|0.042857|0.045556|0.039619|0.046892|0.055192|0.053241|0.045759|0.213557|0.143824|0.500000| |1.195738|1.303631|1.332087|1.409177|1.461067|1.566046|1.622304|1.554340|1.451730|1.740441|0.047763|2.009109|2.090523|3.265039|2.713823|3.568078|2.220215|3.728692|24.682246|4.086531|5.618166|8.895853|17.785832|8.932872|5.632819|4.954079|9.781687|14.139712|8.824670|2.551233|1.683795|1.630952|1.469412|2.517419|1.378924|1.391246|1.551619|0.031627|0.032521|0.033282|0.035633|0.037296|0.039375|0.034880|0.039283|0.044372|0.043697|0.038874|0.111758|0.096914|0.214700|0.500000| |1.333829|1.472318|1.559110|1.564326|1.584355|1.650366|1.702265|1.680530|1.611076|1.746539|0.046820|2.013048|2.092502|3.265203|2.714120|3.565065|2.218748|3.716962|24.708347|4.086550|5.618255|4.954208|5.632795|8.932639|17.785806|8.896059|9.780721|8.823957|14.137119|2.549020|1.663729|1.612964|1.439158|2.465380|1.340035|1.372109|1.519675|0.035512|0.035578|0.037243|0.039989|0.043980|0.046794|0.040971|0.042541|0.045671|0.047104|0.043772|0.096881|0.111724|0.107559|0.124286|0.500000| |1.598159|1.800931|1.913112|1.953445|1.988442|2.096620|2.180585|2.140248|2.025639|2.237839|0.059255|2.681009|2.782263|4.473491|3.961255|5.214791|3.058002|5.000528|38.060444|7.019891|8.917264|5.652890|4.949449|5.679600|8.958543|17.727818|5.672920|6.047241|7.160153|3.247999|2.067991|2.009913|1.748293|2.981235|1.595455|1.632783|1.833187|0.042047|0.042439|0.044604|0.048615|0.054032|0.058367|0.049338|0.052755|0.057754|0.059788|0.054411|0.143725|0.213277|0.124268|0.107557|0.214700|0.500000| |2.126820|2.269097|2.198385|2.712626|2.695132|3.138574|4.015143|4.100054|3.234019|4.962632|0.113090|5.887210|9.411167|10.851827|5.157921|5.706573|4.318578|6.141899|28.138423|2.992026|2.529710|2.328557|2.033920|1.922240|2.024864|2.315108|2.308112|2.873256|2.866094|26.061870|9.298799|5.860598|4.254214|6.103301|4.016025|4.755126|7.477382|0.052960|0.058601|0.062321|0.058039|0.064775|0.062041|0.054390|0.065587|0.081803|0.138190|0.086253|0.081404|0.080802|0.066858|0.052970|0.052607|0.066131|0.500000| |2.414568|2.363370|2.075308|2.776955|2.839566|3.230020|3.726517|3.597954|3.079905|4.087198|0.110773|3.244390|3.131607|3.535435|2.319722|3.149611|2.670631|4.575678|13.729566|1.747982|1.545795|1.471324|1.334061|1.271598|1.315758|1.447087|1.581752|2.003981|1.986662|4.970527|4.942950|5.598133|8.987837|13.581822|17.584617|8.751536|5.514892|0.059483|0.072653|0.069573|0.061850|0.058851|0.055595|0.052558|0.070878|0.085991|0.104401|0.080172|0.049663|0.048776|0.042443|0.035656|0.034868|0.041132|0.091844|0.500000| |2.105871|2.123710|1.909210|2.503080|2.608193|3.054378|3.575367|3.326483|2.771898|4.339078|0.119256|3.595224|3.558785|4.000110|2.585263|3.465469|2.919598|4.898074|15.173728|1.904525|1.674836|1.607407|1.447331|1.364190|1.401319|1.545576|1.689101|2.148089|2.105680|5.749267|5.889159|6.260245|8.989284|12.014263|17.486457|8.847115|6.862299|0.052389|0.062001|0.060282|0.055981|0.054127|0.052123|0.048321|0.065428|0.083597|0.098110|0.071773|0.054632|0.052346|0.046892|0.038801|0.036837|0.043538|0.107059|0.302822|0.500000| |2.617896|2.562487|2.315679|3.038687|2.915042|3.251365|4.049446|4.425870|3.672296|4.285624|0.103996|3.588357|3.735892|4.171180|2.609718|3.407221|2.827220|4.626341|15.384504|1.889765|1.667548|1.565107|1.417530|1.363002|1.425848|1.576224|1.689318|2.123646|2.131309|6.588811|6.734573|6.158270|6.749759|8.964704|8.873579|17.531289|8.890328|0.063807|0.075851|0.078871|0.064613|0.068090|0.061608|0.057857|0.070516|0.082059|0.145290|0.100152|0.052509|0.052884|0.044651|0.037569|0.037924|0.045251|0.123526|0.213187|0.173684|0.500000| |2.120895|2.085821|1.914762|2.405915|2.368442|2.641842|3.144318|3.242400|2.772506|3.501328|0.089304|3.087556|3.279941|3.809487|2.394382|3.097401|2.510205|4.118280|14.476958|1.776206|1.585621|1.512341|1.376667|1.314694|1.359090|1.489327|1.637835|2.074813|2.058015|5.701477|5.528666|4.849184|5.481020|7.590300|8.810138|17.535314|8.836422|0.052936|0.061408|0.062738|0.053754|0.055696|0.051526|0.048628|0.058938|0.069304|0.101889|0.075466|0.049724|0.048936|0.043486|0.036803|0.036046|0.042251|0.113553|0.208170|0.213702|0.302753|0.500000| |1.988072|2.040230|1.907716|2.400616|2.423767|2.812717|3.451192|3.397381|2.769043|4.289921|0.107016|4.101212|4.742766|5.394969|3.197642|3.983236|3.191233|4.991785|18.735901|2.205411|1.931808|1.844777|1.649896|1.552307|1.599148|1.775217|1.907254|2.415641|2.370714|9.151461|8.969136|6.171352|5.601889|7.439278|6.732051|8.825209|17.488198|0.049668|0.056547|0.057986|0.052899|0.055309|0.052648|0.048009|0.060043|0.075109|0.108367|0.073620|0.062125|0.059608|0.053719|0.043981|0.041847|0.049961|0.190888|0.138239|0.197832|0.173938|0.216632|0.500000| 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