Version2.0 2020-07-30T20:42:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 25-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCS(=O)(=O)c1nc(c(s1)NCc2ccco2)S(=O)(=O)c3ccc(cc3)C C08684502 RHF 6-31G(d) (6D,7F) CCCS(=O)(=O)c1nc(c(s1)NCc2ccco2)S(=O)(=O)c3ccc(cc3)C C01[X(C18H20N2O5S3)] 138 C1 472 CCCS(=O)(=O)c1sc(c(n1)S(=O)(=O)c1ccc(cc1)C)NCc1ccco1 CCCS(=O)(=O)c1sc(c(n1)S(=O)(=O)c1ccc(cc1)C)NCc1ccco1 CCC[S](=O)(=O)c1sc(NCc2occc2)c(n1)[S](=O)(=O)c3ccc(C)cc3 InChIKey=BAULUFGGBVACRA-UHFFFAOYSA-N InChI=1S/C18H20N2O5S3/c1-3-11-27(21,22)18-20-17(16(26-18)19-12-14-5-4-10-25-14)28(23,24)15-8-6-13(2)7-9-15/h4-10,19H,3,11-12H2,1-2H3 InChI=1/C18H20N2O5S3/c1-3-11-27(21,22)18-20-17(16(26-18)19-12-14-5-4-10-25-14)28(23,24)15-8-6-13(2)7-9-15/h4-10,19H,3,11-12H2,1-2H3 CCCS(=O)(=O)c1nc(c(s1)NCc2ccco2)S(=O)(=O)c3ccc(cc3)C C01[X(C18H20N2O5S3)] 138 C01 472 CCCS(=O)(=O)c1sc(c(n1)S(=O)(=O)c1ccc(cc1)C)NCc1ccco1 CCC[S@]([O])(=O)C1=[N][C]([C](S1)[NH]CC1=[CH][CH]=CO1)[S@@]([O])(=O)[C]1[CH][CH][C]([CH][CH]1)C CCC[S]([O])(=O)C1=N[C]([C](NCc2occc2)S1)[S]([O])(=O)[C]3[CH][CH][C](C)[CH][CH]3 InChIKey=BAULUFGGBVACRA-UHFFFAOYSA-N InChI=1S/C18H20N2O5S3/c1-3-11-27(21,22)18-20-17(16(26-18)19-12-14-5-4-10-25-14)28(23,24)15-8-6-13(2)7-9-15/h4-10,19H,3,11-12H2,1-2H3 InChI=1/C18H20N2O5S3/c1-3-11-27(21,22)18-20-17(16(26-18)19-12-14-5-4-10-25-14)28(23,24)15-8-6-13(2)7-9-15/h4-10,19H,3,11-12H2,1-2H3 3222.6050036527 -2368.8224601 1-A 15688.6926 115 357 472 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.19508 -92.19285 -92.01682 -20.64361 -20.55721 -20.55592 -20.55484 -20.54769 -15.62517 -15.61382 -11.36631 -11.33643 -11.30577 -11.30480 -11.29728 -11.29110 -11.27400 -11.26637 -11.26263 -11.25836 -11.25630 -11.24479 -11.24351 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440.05344 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 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 12.1392 13.2528 15.0713 24.6551 27.2958 31.9298 39.3131 50.2263 54.7558 72.8685 90.2497 99.6959 108.7872 126.4391 146.7730 162.2845 178.5606 188.7265 219.1184 255.8741 260.9947 262.8621 298.5454 307.7109 319.5228 325.7991 336.6246 348.5496 355.0592 365.2720 397.1930 435.2549 452.2224 453.7713 482.7514 539.7037 552.5423 568.7049 588.0249 613.8724 632.5716 653.0765 659.1034 679.2598 695.4851 706.3639 716.0150 740.4110 770.0923 771.4624 786.4924 812.7924 846.8643 848.6330 865.1773 877.4650 922.3174 949.3364 951.0886 952.3779 972.2306 977.3671 980.2016 1013.0300 1032.9841 1083.6795 1094.5510 1095.5200 1106.6013 1110.1059 1110.9233 1115.3461 1173.9799 1175.2260 1183.4491 1199.5389 1201.4266 1202.8431 1204.7311 1217.8748 1246.4778 1252.1766 1279.9750 1310.8079 1315.6098 1329.8368 1349.7018 1351.2894 1363.4281 1373.0450 1413.9172 1422.3748 1423.6091 1434.8433 1456.7095 1459.5130 1468.5948 1513.2682 1532.5873 1560.0640 1560.6648 1567.5661 1568.9099 1601.5188 1603.0909 1630.9083 1637.6733 1640.1460 1643.5541 1654.0807 1654.5494 1676.7095 1705.1001 1717.9956 1742.1342 1768.1856 1807.2381 1823.7608 3195.4533 3205.6789 3208.9974 3237.6006 3254.9050 3260.3306 3262.5098 3264.7361 3278.1874 3287.0526 3289.3264 3319.7072 3367.3290 3371.1453 3411.6557 3416.4697 3437.7682 3450.8889 3487.4854 3809.4937 1.1510 4.1501 4.0834 4.4765 4.7150 3.9431 5.9325 6.7601 4.8301 2.2770 2.5986 4.7774 5.5414 6.0409 7.9286 6.4058 6.2451 6.8038 6.6577 7.1268 7.2649 1.1495 6.5595 9.9138 5.6837 3.6442 3.3352 3.9935 5.0746 4.2866 5.1204 5.6789 3.9573 3.9010 6.3456 3.5571 10.6077 3.5994 5.8834 2.1986 6.4044 5.4772 2.9038 6.6093 6.9592 4.3182 6.7184 11.5726 9.0643 8.0632 3.4314 1.1087 3.9752 4.5446 1.3106 5.4366 1.3608 1.3684 1.2430 1.2481 6.2337 2.6686 4.3374 1.3918 3.1231 1.7695 1.4407 1.4149 1.5391 2.7512 1.3718 3.1695 1.5646 7.6851 5.2864 3.0432 1.9192 1.6742 1.6422 3.9931 6.2692 9.5411 1.7882 1.3690 2.1695 2.9684 1.5402 2.5304 1.3857 6.3222 1.3811 2.5992 2.0615 2.2036 3.4152 1.3846 1.8782 2.0751 1.4169 2.4141 2.3948 1.3016 1.2661 1.1924 1.8282 1.0463 1.0960 1.0461 1.0404 1.0842 1.0915 2.2600 4.3744 2.4499 7.9065 5.7148 5.2984 6.2518 1.0675 1.0363 1.0377 1.0622 1.0603 1.1036 1.0982 1.1022 1.1015 1.1063 1.1028 1.1084 1.0915 1.0912 1.0941 1.0945 1.0953 1.0981 1.1063 1.0781 0.0001 0.0004 0.0005 0.0016 0.0021 0.0024 0.0054 0.0100 0.0085 0.0071 0.0125 0.0280 0.0386 0.0569 0.1006 0.0994 0.1173 0.1428 0.1883 0.2749 0.2916 0.0468 0.3445 0.5531 0.3419 0.2279 0.2227 0.2858 0.3769 0.3370 0.4759 0.6339 0.4768 0.4733 0.8713 0.6105 1.9081 0.6859 1.1986 0.4881 1.5099 1.3764 0.7432 1.7967 1.9833 1.2694 2.0294 3.7379 3.1671 2.8274 1.2506 0.4315 1.6797 1.9283 0.5780 2.4662 0.6820 0.7266 0.6625 0.6670 3.4717 1.5019 2.4553 0.8415 1.9635 1.2243 1.0169 1.0005 1.1105 1.9976 0.9975 2.3231 1.2705 6.2538 4.3622 2.5799 1.6321 1.4272 1.4043 3.4895 5.7389 8.8141 1.7261 1.3859 2.2125 3.0930 1.6531 2.7223 1.5177 7.0224 1.6268 3.0982 2.4616 2.6730 4.2699 1.7378 2.3867 2.7997 1.9608 3.4617 3.4367 1.8844 1.8361 1.8019 2.7682 1.6396 1.7318 1.6580 1.6559 1.7478 1.7605 3.7435 7.4933 4.2603 14.1382 10.5271 10.1959 12.2516 6.4220 6.2747 6.2958 6.5601 6.6184 6.9115 6.8873 6.9215 6.9741 7.0429 7.0298 7.1968 7.2919 7.3065 7.5031 7.5267 7.6266 7.7047 7.9275 9.2185 0.1451 0.4083 1.5647 3.0478 0.9810 0.5583 0.2304 0.2556 1.4021 0.9774 2.4862 3.4491 0.0977 1.3335 1.1101 7.4926 0.9674 0.9002 6.2034 1.4231 6.3686 0.1496 4.2672 1.0000 4.5232 9.8768 0.7336 3.6169 2.5717 2.9393 3.9858 5.2968 4.2170 2.2041 3.7090 7.2932 44.3312 25.7146 37.7802 69.9548 225.0874 83.4234 10.9761 72.4304 1.4136 8.4285 95.0298 80.7968 126.4753 83.2638 49.2862 6.0513 9.9466 31.5439 63.6298 17.9094 21.5551 2.9989 0.6180 0.1057 9.1969 32.3823 65.1374 1.3064 43.4108 8.2259 3.0276 0.7079 11.9196 3.5997 0.0851 3.9848 3.0604 43.7496 81.6426 13.6949 2.6157 14.8478 11.8122 23.1587 236.1501 212.5163 13.1393 7.7353 6.7642 5.1040 8.1467 36.9354 7.1407 15.2056 23.4183 34.4307 60.5415 109.4418 93.5033 4.3793 111.8870 340.4510 4.6987 1.6755 34.3004 2.1666 1.2955 49.9434 93.1717 5.3564 15.5031 2.2181 7.2037 18.4148 3.9945 6.6727 199.0995 656.2215 42.1643 5.0840 43.5614 1.6643 29.9188 34.6361 30.7969 8.8569 3.8450 14.0316 14.5970 22.9293 47.5705 27.3523 21.4759 7.3901 15.0023 15.6855 1.8911 0.6485 5.7538 1.0650 1.8076 162.4779 0.6557 1.5078 0.6147 1.7788 4.3079 5.6880 2.1028 3.2342 1.2874 0.7649 0.2148 1.1019 0.6623 1.0679 2.3929 1.5532 0.2500 0.8228 2.2993 3.6497 1.8950 0.0744 4.6006 0.7266 2.3592 4.3167 1.8484 1.4829 2.3792 1.1787 2.0406 0.6175 0.3383 0.2787 0.5796 1.5872 2.0226 0.2568 1.1740 1.8216 8.6816 1.5006 1.1350 2.3477 6.9484 2.5678 4.2419 6.4651 6.8667 4.7997 0.2414 0.5338 5.6951 14.7022 2.9140 31.3968 2.9554 3.9916 0.1258 1.9634 5.5234 8.3243 0.7145 2.9158 7.7677 2.8180 1.7466 1.3036 5.8439 10.9378 0.0383 0.3926 0.1842 10.6905 5.4488 18.4809 1.2682 8.4637 4.8047 16.3391 31.6971 18.1239 2.3978 0.9328 3.0128 2.8284 24.8303 2.0894 0.5544 118.1560 4.6124 19.7279 9.8219 6.0075 19.4305 1.1290 12.8875 30.8336 1.7488 10.2880 16.8029 17.3245 1.7644 13.4927 72.5233 20.3367 14.5912 25.9937 22.1811 10.9911 1.3702 1.0458 23.8059 231.2999 70.7093 3.7465 91.8632 42.1217 108.7541 105.0307 182.7797 80.6744 34.9882 86.1077 31.0612 101.5383 135.5691 23.1991 65.3265 13.0652 87.6904 86.3332 52.7874 64.6130 73.9852 91.2265 124.2607 58.5506 0.7476 0.7374 0.7484 0.7500 0.7371 0.7492 0.6843 0.7239 0.6927 0.6360 0.6229 0.7245 0.5484 0.4893 0.4066 0.5820 0.3775 0.2173 0.1551 0.2460 0.4910 0.5241 0.5077 0.6021 0.3598 0.2263 0.6884 0.5535 0.7234 0.3025 0.6285 0.3467 0.7246 0.4158 0.2642 0.3106 0.3316 0.7417 0.5512 0.7388 0.2968 0.5282 0.7480 0.6929 0.7468 0.4528 0.7317 0.2029 0.6709 0.2995 0.6824 0.4034 0.5579 0.1198 0.7443 0.0894 0.4514 0.7451 0.6613 0.7496 0.7446 0.4369 0.2599 0.7093 0.2324 0.4005 0.7499 0.6832 0.4080 0.5719 0.6294 0.7147 0.5664 0.6368 0.7011 0.0415 0.3640 0.1391 0.5306 0.6090 0.0679 0.1879 0.5937 0.4519 0.3584 0.4030 0.4583 0.7114 0.7452 0.5245 0.7490 0.4581 0.4799 0.7359 0.1917 0.3682 0.6741 0.6168 0.3383 0.4775 0.4886 0.4228 0.6455 0.5236 0.1924 0.7475 0.7440 0.7046 0.7490 0.7199 0.6262 0.5829 0.3021 0.3185 0.5169 0.7434 0.4883 0.3423 0.0743 0.0126 0.0422 0.1838 0.0894 0.7491 0.5384 0.7335 0.5417 0.7438 0.7497 0.7384 0.4003 0.3153 0.1883 0.1899 0.7378 0.2453 0.1663 0.1401 0.8556 0.8488 0.8561 0.8571 0.8487 0.8567 0.8126 0.8399 0.8184 0.7775 0.7676 0.8402 0.7083 0.6571 0.5781 0.7358 0.5481 0.3571 0.2686 0.3948 0.6586 0.6877 0.6735 0.7517 0.5292 0.3690 0.8154 0.7126 0.8395 0.4645 0.7718 0.5149 0.8403 0.5874 0.4180 0.4740 0.4980 0.8517 0.7107 0.8498 0.4577 0.6912 0.8558 0.8186 0.8551 0.6234 0.8451 0.3373 0.8031 0.4610 0.8112 0.5749 0.7162 0.2140 0.8534 0.1642 0.6220 0.8539 0.7961 0.8569 0.8536 0.6081 0.4126 0.8299 0.3771 0.5720 0.8571 0.8118 0.5795 0.7277 0.7726 0.8336 0.7232 0.7781 0.8243 0.0797 0.5337 0.2442 0.6933 0.7570 0.1272 0.3164 0.7451 0.6225 0.5277 0.5745 0.6285 0.8314 0.8540 0.6881 0.8565 0.6283 0.6485 0.8479 0.3218 0.5382 0.8053 0.7630 0.5056 0.6463 0.6564 0.5943 0.7846 0.6873 0.3227 0.8555 0.8532 0.8267 0.8565 0.8372 0.7702 0.7365 0.4640 0.4831 0.6816 0.8528 0.6562 0.5100 0.1383 0.0249 0.0810 0.3106 0.1642 0.8566 0.7000 0.8462 0.7027 0.8531 0.8569 0.8495 0.5717 0.4794 0.3170 0.3192 0.8491 0.3939 0.2851 0.2457 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 6 6 6 16 8 8 6 7 6 6 16 7 6 6 6 6 6 8 16 8 8 6 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 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 14.00307 12.00000 12.00000 31.97207 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 31.97207 15.99491 15.99491 12.00000 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 12386.3239 17779.3963 26079.2607 0.99982 -0.01125 0.01533 0.01158 0.99969 -0.02211 -0.01507 0.02228 0.99964 1 0.00699 0.00487 0.00332 0.14570 0.10151 0.06920 17.47 19.07 21.68 35.47 39.27 45.94 56.56 72.26 78.78 104.84 129.85 143.44 156.52 181.92 211.17 233.49 256.91 271.54 315.26 368.15 375.51 378.20 429.54 442.73 459.72 468.75 484.33 501.49 510.85 525.54 571.47 626.23 650.65 652.88 694.57 776.51 794.99 818.24 846.04 883.23 910.13 939.63 948.30 977.30 1000.65 1016.30 1030.19 1065.29 1107.99 1109.96 1131.59 1169.43 1218.45 1220.99 1244.80 1262.48 1327.01 1365.88 1368.40 1370.26 1398.82 1406.21 1410.29 1457.52 1486.23 1559.17 1574.81 1576.21 1592.15 1597.19 1598.37 1604.73 1689.10 1690.89 1702.72 1725.87 1728.58 1730.62 1733.34 1752.25 1793.40 1801.60 1841.60 1885.96 1892.87 1913.34 1941.92 1944.20 1961.67 1975.51 2034.31 2046.48 2048.26 2064.42 2095.88 2099.91 2112.98 2177.26 2205.05 2244.58 2245.45 2255.38 2257.31 2304.23 2306.49 2346.51 2356.25 2359.80 2364.71 2379.85 2380.53 2412.41 2453.26 2471.81 2506.54 2544.02 2600.21 2623.99 4597.54 4612.26 4617.03 4658.19 4683.08 4690.89 4694.02 4697.23 4716.58 4729.34 4732.61 4776.32 4844.84 4850.33 4908.61 4915.54 4946.18 4965.06 5017.71 5481.01 0.394008 0.420536 0.421480 0.329614 -2368.428453 -2368.401924 -2368.400980 -2368.492846 3.081201D-04 MUNgauss RevisionA2.0 retrievium 30-Jul-2020 DUDE CCCS(=O)(=O)c1nc(c(s1)NCc2ccco2)S(=O)(=O)c3ccc(cc3)C C08684502 RHF 6-31G(d) (6D,10F) C1 440.053437 |X|Y|Z| 93.132505 75.908109 35.397475 63.016447 19 6 7 8 16 14 2 1 2 |36.858105| |12.462651|36.858105| |7.560525|12.437506|36.858105| |4.629688|6.963710|10.695602|388.023441| |4.172085|6.036935|7.273341|94.606239|73.516695| |4.125154|5.897788|7.223358|94.155842|13.614258|73.516695| |3.591403|4.558081|6.833411|76.347932|12.918961|13.275404|36.858105| |3.385514|4.053019|5.869272|50.470166|10.713070|9.054646|15.088222|53.358707| |2.790978|3.188760|4.258705|34.856537|7.658204|7.201282|8.744800|18.997526|36.858105| |2.563291|2.936865|3.805883|32.400968|6.879438|7.382178|7.829197|11.174355|13.832289|36.858105| |2.882581|3.468205|4.568888|44.164409|8.401346|11.110521|10.912475|10.143483|7.495471|10.932081|388.023441| |2.193414|2.449809|3.025966|24.763964|5.451487|5.915275|5.077146|7.167631|7.741700|14.217816|50.202732|53.358707| |2.033663|2.260596|2.713635|22.130301|4.842007|5.607425|4.168945|5.453908|5.047570|7.748799|44.069935|17.846563|36.858105| |1.766036|1.927109|2.253227|17.877229|4.036556|4.502565|3.187631|4.312114|3.908397|5.152995|29.804929|10.725668|12.790705|36.858105| |1.593484|1.735764|1.989256|15.836741|3.650749|4.023160|2.718681|3.656438|3.189514|3.972624|24.536819|7.312623|7.337175|14.221377|36.858105| |1.466743|1.574540|1.787447|13.883187|3.227047|3.492416|2.340971|3.208573|2.777845|3.283920|20.117485|5.796093|5.147910|8.579362|13.221980|36.858105| |1.529527|1.629162|1.864547|14.234324|3.280131|3.541487|2.429989|3.383681|2.982063|3.496912|20.655391|6.285922|5.351726|8.781311|8.600975|14.236778|36.858105| |1.714469|1.838673|2.143835|16.449178|3.724000|4.079381|2.901785|4.041733|3.680540|4.532210|25.514261|8.881539|7.894276|14.139752|8.636342|8.629703|14.160292|73.516695| |2.451164|2.671524|3.361893|25.250067|5.955788|5.332410|5.008301|9.671067|10.873841|6.812984|31.758332|7.872122|4.024675|3.499313|2.930136|2.686701|2.952524|6.270845|388.023441| |2.120128|2.285351|2.789847|21.082855|4.936878|4.690228|4.034037|6.821286|7.479160|6.436962|28.968816|9.210783|4.590881|4.232020|3.463058|3.234332|3.674563|7.945838|93.757197|73.516695| |2.661001|2.809073|3.533758|24.430440|5.735472|5.093432|4.504746|8.519959|7.343866|5.055886|27.072387|5.894383|3.303510|2.918514|2.480712|2.324481|2.571544|5.355170|94.584458|13.584135|73.516695| |2.267920|2.493635|3.018334|23.411936|5.974303|4.907458|4.278622|7.794434|6.786028|4.933170|26.384127|5.915956|3.277182|2.952439|2.612335|2.404861|2.546497|5.149291|76.728546|12.999659|13.054870|36.858105| |1.977729|2.173759|2.561638|20.298592|5.219434|4.420947|3.604786|5.994737|5.260537|4.407865|23.950347|5.727492|3.257420|3.046971|2.772546|2.560785|2.661119|5.255915|49.601105|11.531417|8.885719|13.763965|36.858105| |1.843696|2.022441|2.319761|18.381390|4.886914|4.034066|3.079330|4.907613|3.964294|3.451928|20.291938|4.493182|2.710783|2.573514|2.417681|2.253159|2.295923|4.413202|33.717682|7.855253|6.853466|7.973178|13.756014|36.858105| |1.915947|2.097365|2.374572|18.567834|5.095643|4.007946|2.986876|4.761849|3.601481|3.066978|18.851623|3.869374|2.377210|2.228614|2.092193|1.954506|1.995171|3.833722|29.826600|6.538911|6.553017|6.861614|7.892918|13.716710|36.858105| |2.178911|2.383190|2.729607|20.896130|5.796153|4.366119|3.346811|5.547670|4.011453|3.239333|20.021172|3.937874|2.390671|2.195708|2.024462|1.885876|1.949524|3.800797|33.758740|6.805647|7.829578|7.976894|6.875007|7.957568|13.668272|36.858105| |2.412893|2.644688|3.152253|23.856395|6.379370|4.868278|4.053630|7.289109|5.361154|3.980433|23.475585|4.680418|2.735477|2.463547|2.215403|2.051938|2.154906|4.292444|49.608414|8.778511|11.408014|13.715297|7.901123|6.870807|7.890145|13.807186|36.858105| |1.735646|1.887563|2.078736|16.159746|4.485210|3.557525|2.493127|3.817028|2.829049|2.503566|15.989160|3.207068|2.039316|1.937156|1.853395|1.745180|1.761757|3.328556|22.385408|5.091902|5.104118|4.444581|5.010352|7.543138|12.617011|7.568494|5.022209|36.858105| |17.549454|8.767380|6.855661|30.500794|7.139109|6.493164|3.508703|4.709333|2.849743|2.551652|19.702073|2.972144|1.995672|1.744603|1.572100|1.455520|1.525090|3.035156|18.287789|3.902167|5.091336|2.390455|2.057805|1.919426|2.014030|2.325725|2.588922|1.817924|0.500000| |17.547853|8.764965|6.847897|30.524113|6.552093|7.109280|3.506291|4.473696|2.772778|2.586952|20.706737|3.035577|2.087181|1.810490|1.625050|1.498897|1.571281|3.141515|17.277438|3.783892|4.706512|2.194882|1.920344|1.774124|1.820814|2.052724|2.291237|1.644167|0.301307|0.500000| |17.566114|8.817045|5.498731|27.681942|6.518970|6.429014|3.051647|3.917041|2.425888|2.256770|17.991656|2.672208|1.840740|1.616358|1.473146|1.361166|1.412054|2.788096|15.372830|3.371447|4.130060|2.034980|1.800512|1.698764|1.771624|1.995536|2.168576|1.627420|0.301743|0.301782|0.500000| |8.835890|17.581841|8.871361|46.582950|12.097974|9.470786|4.267745|5.288989|3.049353|2.776941|22.915626|3.167948|2.136206|1.837159|1.669626|1.516312|1.560001|3.107651|18.472660|3.931704|4.818399|2.509349|2.195226|2.074215|2.185121|2.496485|2.719278|1.983757|0.210449|0.172716|0.212630|0.500000| |8.838400|17.570799|8.864277|46.688054|9.767341|11.757409|4.265479|4.965414|2.957270|2.823386|24.540392|3.245670|2.249539|1.914588|1.733449|1.565568|1.609614|3.222255|17.444407|3.812637|4.491732|2.287546|2.031853|1.895414|1.945745|2.169192|2.382282|1.765037|0.172751|0.210607|0.212583|0.302997|0.500000| |6.834623|8.750884|17.588510|58.056698|9.688327|12.123247|6.560241|7.573526|4.293215|3.973615|34.324116|4.327442|2.889008|2.376601|2.073677|1.863721|1.959967|4.043388|23.874210|5.059483|6.307670|2.887535|2.467540|2.206001|2.218603|2.514266|2.925365|1.939749|0.168350|0.202692|0.139937|0.173077|0.211054|0.500000| |6.806936|8.738029|17.598840|58.100406|12.026225|9.666828|6.588282|8.935598|4.599445|3.851039|30.277036|4.150619|2.660425|2.233499|1.967451|1.782512|1.872383|3.823502|26.782420|5.353467|7.333412|3.386484|2.784653|2.509123|2.602195|3.079362|3.642006|2.247724|0.201959|0.167392|0.139624|0.211317|0.172896|0.300137|0.500000| |2.079863|2.282417|2.788654|22.030417|4.962111|5.170641|4.345813|6.513737|7.162622|9.596152|37.780809|25.936300|8.988183|7.498146|5.212724|4.436336|5.078321|12.914340|46.568591|16.481198|8.413082|4.688377|4.594319|3.491038|2.947935|2.982136|3.577046|2.419270|0.058190|0.058716|0.051851|0.060532|0.061139|0.080991|0.079640|0.500000| |2.018447|2.277058|2.705497|22.885854|5.040668|5.958900|4.213305|5.279040|4.624752|6.893128|46.820384|12.426919|17.580817|9.080713|6.940760|4.660532|4.465359|10.261110|25.625540|6.966762|5.297418|3.100488|3.124544|2.664869|2.351106|2.345744|2.636279|2.038794|0.054572|0.057134|0.051042|0.060167|0.063649|0.078988|0.072638|0.181567|0.500000| |2.122158|2.341868|2.816114|22.381009|4.768925|5.785799|4.130408|5.279995|4.686685|6.835281|43.850823|12.360105|17.513479|8.981899|5.830810|4.505129|4.863500|12.522671|26.463848|7.305266|5.701118|2.974411|2.875610|2.424297|2.173391|2.220474|2.547404|1.879060|0.057444|0.061359|0.053179|0.060544|0.065172|0.085472|0.075732|0.194131|0.301347|0.500000| |1.565527|1.717893|1.953569|15.801847|3.672288|4.061677|2.669832|3.532022|3.008696|3.725624|24.193047|6.481215|6.340019|8.834523|17.795901|8.436920|5.854683|10.456262|19.307410|5.515501|4.098572|2.491920|2.664795|2.369435|2.060636|1.980673|2.139873|1.844010|0.042715|0.044143|0.040378|0.046132|0.047944|0.056144|0.053313|0.123495|0.192906|0.141934|0.500000| |1.356839|1.451131|1.629088|12.607003|2.959939|3.176845|2.084528|2.854787|2.424826|2.795476|17.539622|4.720371|4.037365|5.846157|8.436800|17.805927|8.832747|10.451800|16.869533|4.985233|3.697651|2.175355|2.334062|2.096444|1.828615|1.751998|1.880678|1.655000|0.037413|0.038432|0.035178|0.038985|0.040142|0.046943|0.045131|0.099925|0.105849|0.100705|0.192866|0.500000| |1.470054|1.549626|1.763583|13.238879|3.062570|3.273716|2.232959|3.140794|2.740238|3.103390|18.431592|5.338097|4.286533|6.038474|5.815605|8.616334|17.840539|16.501173|19.903141|6.194396|4.436160|2.414894|2.507214|2.176852|1.905525|1.867904|2.061088|1.689800|0.040895|0.042032|0.037767|0.041217|0.042384|0.051529|0.049468|0.122053|0.100923|0.112832|0.123080|0.195116|0.500000| |1.874648|2.054292|2.418702|19.209535|4.817363|4.288528|3.455879|5.572808|5.166342|4.664469|24.386069|6.524089|3.663900|3.522995|3.202246|2.960350|3.081194|6.085855|47.308263|13.331850|8.224003|8.924046|17.753704|8.899570|5.624987|4.956016|5.633615|4.083840|0.053720|0.051084|0.047488|0.057018|0.053923|0.065832|0.071844|0.151675|0.096224|0.087534|0.084412|0.074254|0.079881|0.500000| |1.682572|1.839743|2.083326|16.540745|4.374278|3.711609|2.729263|4.207055|3.406113|3.110257|18.590483|4.182839|2.596154|2.524428|2.427548|2.279459|2.288672|4.313328|27.877960|6.897813|5.760560|5.668019|8.951284|17.717924|8.912737|5.650313|4.950958|6.983696|0.048328|0.045146|0.043379|0.052330|0.048384|0.055406|0.061698|0.090197|0.071479|0.064117|0.066623|0.059589|0.060236|0.215410|0.500000| |2.211525|2.399945|2.686964|20.151932|5.708654|4.204426|3.079549|4.972707|3.458506|2.843368|18.221764|3.453870|2.143290|1.970625|1.826895|1.708680|1.762853|3.417273|27.901143|5.712928|6.850962|5.666684|4.952520|5.652495|8.899077|17.710555|8.966565|7.031145|0.066161|0.057243|0.056680|0.070886|0.060278|0.067938|0.084653|0.071946|0.058700|0.056009|0.049840|0.044344|0.047126|0.107567|0.124122|0.500000| |2.711734|2.944457|3.552723|25.637961|6.808083|5.101100|4.260608|7.855560|5.347489|3.880716|23.548006|4.462045|2.635625|2.348685|2.096229|1.945304|2.057265|4.120089|47.382215|8.096177|12.949786|8.910499|5.636309|4.954181|5.621354|8.912500|17.758648|4.093576|0.082467|0.071063|0.066880|0.084006|0.072114|0.090577|0.118865|0.093724|0.070235|0.069632|0.056094|0.049482|0.054928|0.124134|0.107547|0.215530|0.500000| |1.691151|1.814848|1.980540|15.047368|4.154213|3.315022|2.292312|3.511945|2.587196|2.282865|14.639596|2.930362|1.875221|1.789363|1.709648|1.625691|1.651743|3.108865|20.776417|4.726990|4.901587|3.983050|4.272702|5.820238|8.853893|6.827183|4.634684|17.556498|0.049552|0.044478|0.044204|0.053009|0.046961|0.051411|0.059815|0.061712|0.051725|0.048477|0.047014|0.042951|0.044378|0.098787|0.149807|0.196610|0.109283|0.500000| 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