Version2.1 2021-01-18T05:33:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)n2c(=O)c3c(c4ccccc4[nH]3)nc2SCC(=O)Nc5ccc(cc5)Cl C02720652 RHF 6-31G(d) (6D,7F) c1ccc(cc1)n2c(=O)c3c(c4ccccc4[nH]3)nc2SCC(=O)Nc5ccc(cc5)Cl C01[X(C24H17Cl1N4O2S1)] 141 C1 522 O=C(Nc1ccc(cc1)Cl)CSc1nc2c(c(=O)n1c1ccccc1)[nH]c1c2cccc1 O=C(Nc1ccc(cc1)Cl)CSc1nc2c(c(=O)n1c1ccccc1)[nH]c1c2cccc1 Clc1ccc(NC(=O)CSC2=Nc3c([nH]c4ccccc34)C(=O)N2c5ccccc5)cc1 InChIKey=QHILYYHCPJAHGL-UHFFFAOYSA-N InChI=1S/C24H17ClN4O2S/c25-15-10-12-16(13-11-15)26-20(30)14-32-24-28-21-18-8-4-5-9-19(18)27-22(21)23(31)29(24)17-6-2-1-3-7-17/h1-13,27H,14H2,(H,26,30) InChI=1/C24H17ClN4O2S/c25-15-10-12-16(13-11-15)26-20(30)14-32-24-28-21-18-8-4-5-9-19(18)27-22(21)23(31)29(24)17-6-2-1-3-7-17/h1-13,27H,14H2,(H,26,30)/f/h26H c1ccc(cc1)n2c(=O)c3c(c4ccccc4[nH]3)nc2SCC(=O)Nc5ccc(cc5)Cl C01[X(C24H17Cl1N4O2S1)] 141 C01 522 O=C(Nc1ccc(cc1)Cl)CSc1nc2c(c(=O)n1c1ccccc1)[nH]c1c2cccc1 O=C(N[C]1[CH][CH][C]([CH][CH]1)Cl)CSC1=N[C]2[C](C(=O)N1[C]1[CH][CH][CH][CH][CH]1)N[C]1[C]2[CH][CH][CH][CH]1 Cl[C]1[CH][CH][C]([CH][CH]1)NC(=O)CSC2=N[C]3[C]4[CH][CH][CH][CH][C]4N[C]3C(=O)N2[C]5[CH][CH][CH][CH][CH]5 InChIKey=QHILYYHCPJAHGL-UHFFFAOYSA-N InChI=1S/C24H17ClN4O2S/c25-15-10-12-16(13-11-15)26-20(30)14-32-24-28-21-18-8-4-5-9-19(18)27-22(21)23(31)29(24)17-6-2-1-3-7-17/h1-13,27H,14H2,(H,26,30) InChI=1/C24H17ClN4O2S/c25-15-10-12-16(13-11-15)26-20(30)14-32-24-28-21-18-8-4-5-9-19(18)27-22(21)23(31)29(24)17-6-2-1-3-7-17/h1-13,27H,14H2,(H,26,30)/f/h26H 3160.9468381221 -2143.3038042 1-A 24108.2580 119 403 522 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.82532 -91.97121 -20.55544 -20.53787 -15.64052 -15.62276 -15.61440 -15.57171 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-0.31452 -0.31341 -0.28603 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.08962 0.12328 0.12590 0.12593 0.13420 0.14802 0.16178 0.18044 0.19567 0.19638 0.20036 0.22534 0.23101 0.23617 0.24004 0.24282 0.25771 0.27595 0.28508 0.28929 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3384.2815 3392.1682 3393.1646 3398.7700 3398.9150 3402.1094 3467.2560 3868.3344 3915.4920 6.3248 4.7395 8.1415 6.2032 7.6118 3.8469 8.6985 5.7960 8.2259 5.2024 3.8263 6.7566 8.1083 5.4391 6.9303 7.7143 7.9202 6.7200 6.3038 6.2121 9.7816 6.5035 9.4369 1.7898 5.3603 6.9225 9.2497 6.5643 2.3069 3.0325 2.9015 4.1400 11.1036 4.5723 1.3743 5.7613 4.4390 2.3397 8.4299 3.2552 2.1329 7.6416 6.5290 7.2941 7.3319 7.6225 7.6379 6.0373 9.8002 1.9527 3.5009 5.4270 3.6847 1.6463 3.7327 3.9989 4.6188 6.3889 3.2894 1.3762 4.7544 4.9330 1.2496 1.4192 1.4957 7.5421 1.9273 1.4900 5.3347 1.3589 1.3456 6.2628 4.3530 1.3683 3.6585 1.3098 1.3378 2.6867 1.5297 1.8841 1.7286 2.3819 3.3984 3.0396 2.3215 2.0299 1.6240 2.5111 2.4903 2.7170 1.1794 1.1153 1.1695 2.0467 1.5072 2.5061 2.9271 3.1925 2.9759 4.3699 1.3268 1.3334 2.7196 2.4321 2.2570 2.6502 1.0942 2.7136 2.1492 4.0013 2.9483 2.3544 2.2347 2.2746 8.1831 8.7709 7.2631 5.6003 3.7025 5.4170 5.5331 6.2468 12.9022 9.2342 1.0596 1.1066 1.0911 1.0871 1.0873 1.0904 1.0905 1.0958 1.0937 1.0980 1.0967 1.0990 1.0932 1.0950 1.0936 1.0782 1.0813 0.0005 0.0009 0.0028 0.0036 0.0057 0.0046 0.0147 0.0138 0.0391 0.0299 0.0236 0.0484 0.1064 0.0852 0.1098 0.1570 0.2352 0.2166 0.2621 0.3062 0.5299 0.3645 0.6540 0.1246 0.4319 0.6539 0.9501 0.7080 0.2756 0.3761 0.3620 0.5385 1.4889 0.6611 0.2459 1.0834 0.8557 0.4537 1.9160 0.7589 0.5217 1.9351 1.7600 2.0348 2.1241 2.2329 2.3645 1.9491 3.2890 0.6842 1.2685 2.0801 1.4532 0.6859 1.5878 1.7075 2.0462 2.8405 1.5177 0.6945 2.4867 2.6155 0.6634 0.7689 0.8154 4.5867 1.1848 0.9649 3.5045 0.9224 0.9165 4.4189 3.0864 0.9756 2.6478 0.9512 0.9719 1.9623 1.1481 1.4174 1.4163 2.0259 2.9228 2.6250 2.0293 1.8253 1.4708 2.3858 2.4212 2.6436 1.1645 1.1125 1.1844 2.1062 1.5814 2.7537 3.3012 3.6404 3.4795 5.2561 1.6461 1.6939 3.5300 3.1661 3.0932 3.7930 1.6532 4.1511 3.3200 6.3154 4.8299 3.8771 3.6950 3.9448 14.7066 15.9266 13.7343 10.5969 7.0318 10.4253 10.6680 12.2174 29.0883 21.2586 6.6637 7.1787 7.2295 7.2288 7.2531 7.3019 7.3228 7.3858 7.3804 7.4443 7.4397 7.4801 7.4407 7.4674 7.7463 9.5057 9.7673 0.2847 0.4697 0.3456 0.4081 5.6505 0.0476 0.3235 0.3722 0.5622 0.4885 8.9480 0.2094 1.2668 4.6124 1.2004 3.8729 3.8169 0.6679 0.6739 2.2219 4.0240 10.6718 7.1178 98.4321 0.0029 5.0043 14.4720 10.1956 20.6978 0.4250 0.0470 1.5867 20.8073 4.1612 108.7916 11.9525 6.4850 0.1636 7.4582 5.6655 0.8179 5.0277 0.3539 0.3485 3.5019 1.6014 0.9480 22.2201 0.2898 48.7086 0.1625 33.5357 42.6970 103.0338 1.0359 14.3969 1.8858 0.9055 0.1140 31.2114 8.2334 7.7519 0.1461 51.3706 0.8125 3.1353 8.7534 0.7954 10.6150 0.1471 0.7105 9.6238 21.4952 0.0033 18.6776 0.2405 1.1568 4.7899 0.4083 0.6984 0.6737 5.0199 20.2076 101.4072 7.7200 10.2984 55.8314 0.3442 128.0840 77.5615 0.9005 0.2381 2.3809 30.2826 3.1239 66.4444 434.9349 29.4478 27.5607 60.5904 16.0052 0.3626 28.1883 206.2743 122.6776 99.2563 26.5383 4.3833 7.3130 68.9126 77.9255 28.3910 162.2295 688.7747 22.9908 467.3126 178.0225 2.4164 129.1763 38.3174 9.9473 60.9650 902.5979 201.7452 16.1894 0.7515 18.3118 0.4860 0.0490 7.8325 4.3773 36.5532 31.4552 29.2545 22.3946 8.6860 4.4127 4.4446 3.5024 30.6729 149.0276 1.6397 4.8854 2.7960 3.2996 1.3193 9.4267 6.4231 2.4427 0.2572 0.8852 0.6890 1.5213 1.7916 0.0248 0.3674 5.5399 0.7200 1.7698 4.7400 2.6977 2.8248 2.7543 2.4477 0.4770 2.0812 0.5787 0.5178 1.3384 0.0972 0.0790 0.0987 0.6491 6.4741 0.1754 1.1157 1.9187 7.2961 1.4773 10.2535 0.0818 0.4768 4.2825 4.2017 11.3728 8.4346 1.4666 2.3128 2.0257 0.8313 3.3409 1.7234 15.5030 8.6843 1.2885 0.6579 13.8276 5.0476 5.1499 6.1321 2.3070 48.0224 14.0228 2.6724 0.6971 1.6073 9.4034 1.2926 3.8758 4.9413 2.2906 0.0207 30.1858 2.3258 0.0415 2.7980 0.6721 0.9433 25.2148 1.0082 1.7548 0.1181 1.1987 43.5141 15.7366 4.9851 7.8708 18.7366 1.1580 23.3297 57.3067 7.8051 9.8156 15.5125 18.8310 0.7245 25.4243 14.4768 45.0998 43.9577 79.3889 1.5751 1.2579 41.8146 17.6334 38.5920 2.0181 8.5025 129.8615 1.7135 130.6126 11.4148 3.7676 5.5944 5.6485 343.6658 129.6351 35.2950 8.7214 3.3929 152.9251 52.4740 86.1499 122.6100 28.6223 54.9338 28.4961 61.5049 46.3972 39.2793 134.1924 122.7801 103.6114 72.0079 265.5028 5.6117 306.4967 88.1675 108.2297 50.7163 53.8059 93.5625 0.7500 0.7500 0.7491 0.7500 0.7500 0.7500 0.7500 0.6694 0.3448 0.7500 0.7500 0.7500 0.3211 0.7499 0.7500 0.7219 0.2310 0.7500 0.3927 0.7500 0.5107 0.6453 0.3604 0.7415 0.7500 0.7027 0.6488 0.4049 0.7498 0.7500 0.7500 0.7500 0.6545 0.7500 0.7500 0.7209 0.2381 0.7500 0.2367 0.7500 0.7500 0.6574 0.7500 0.5352 0.0803 0.6210 0.7500 0.7300 0.7500 0.5717 0.7500 0.1402 0.5832 0.7500 0.7500 0.3617 0.7500 0.6688 0.1851 0.7500 0.0986 0.2660 0.7500 0.7500 0.7500 0.1497 0.7500 0.4160 0.4277 0.7500 0.7500 0.1096 0.7399 0.7500 0.1198 0.7500 0.7500 0.1352 0.2876 0.3753 0.7499 0.5577 0.2816 0.1201 0.7500 0.3992 0.5749 0.2836 0.3924 0.1299 0.7198 0.7500 0.1662 0.2778 0.7500 0.3912 0.5861 0.1842 0.5875 0.1111 0.7389 0.7500 0.6866 0.5571 0.2904 0.7206 0.5049 0.3846 0.7500 0.3237 0.6734 0.6937 0.2972 0.6256 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0.2919 0.8571 0.8571 0.6490 0.5183 0.5600 0.4031 0.3592 0.0542 0.8571 0.5499 0.8569 0.8561 0.8563 0.8571 0.5289 0.7485 0.2023 0.8571 0.2042 0.4666 0.3566 0.3392 0.2717 0.3019 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 6 6 6 6 6 6 7 6 8 6 6 6 6 6 6 6 6 7 1 7 6 16 6 6 8 7 6 6 6 6 6 6 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 11366.0646 34518.2727 45247.7711 1.00000 -0.00224 -0.00000 0.00224 1.00000 0.00000 0.00000 -0.00000 1.00000 1 0.00762 0.00251 0.00191 0.15878 0.05228 0.03989 15.82 26.22 34.92 45.02 51.45 64.87 77.03 91.48 129.26 142.10 147.22 158.58 214.72 234.55 235.97 267.38 322.99 336.54 382.18 416.18 436.28 443.76 493.46 494.48 532.07 576.10 600.73 615.61 647.84 660.09 662.05 676.01 686.38 712.76 792.85 812.82 822.97 825.41 893.63 905.05 927.02 943.27 973.20 990.01 1008.91 1014.51 1042.91 1065.03 1085.89 1109.56 1128.29 1160.45 1177.16 1209.94 1222.50 1224.85 1247.62 1249.84 1273.23 1331.58 1355.60 1364.85 1365.74 1379.66 1383.95 1461.75 1469.67 1508.42 1519.23 1544.29 1546.95 1574.49 1578.33 1582.75 1594.63 1597.31 1597.63 1601.92 1623.91 1625.79 1696.68 1728.67 1738.31 1741.90 1752.50 1777.48 1783.83 1827.07 1848.23 1848.92 1862.54 1872.03 1886.32 1901.48 1920.04 1964.82 1990.61 2001.61 2026.82 2055.73 2087.81 2112.67 2135.51 2138.65 2194.33 2242.45 2303.96 2318.33 2329.72 2354.89 2399.09 2405.37 2410.28 2468.47 2512.85 2525.85 2577.56 2578.41 2583.17 2600.35 2602.70 2621.37 2814.46 2844.04 4700.58 4774.07 4824.93 4833.46 4841.34 4850.54 4857.22 4866.37 4869.23 4880.57 4882.01 4890.07 4890.28 4894.88 4988.61 5565.67 5633.52 0.393918 0.419007 0.419952 0.333212 -2142.909887 -2142.884797 -2142.883853 -2142.970592 2.909240D-04 MUNgauss RevisionA2.0 retrievium 18-Jan-2021 DUDE c1ccc(cc1)n2c(=O)c3c(c4ccccc4[nH]3)nc2SCC(=O)Nc5ccc(cc5)Cl C02720652 RHF 6-31G(d) (6D,10F) C1 460.076075 |X|Y|Z| 78.039984 132.956947 18.451646 57.635196 29 6 7 16 24 4 1 |36.858105| |13.749215|36.858105| |7.941432|13.763153|36.858105| |6.904431|7.967421|13.771359|36.858105| |7.941444|6.868927|7.920294|13.771569|36.858105| |13.749455|7.933140|6.868913|7.967404|13.762915|36.858105| |4.534223|5.135300|7.799683|13.207984|7.799750|5.135291|53.358707| |3.824206|4.252504|5.860722|7.872124|5.860580|4.252431|18.435586|36.858105| |3.991597|4.382440|5.709428|7.051651|5.708828|4.382153|11.351820|15.901506|73.516695| |2.999026|3.285148|4.241940|5.184196|4.241967|3.285149|11.051740|13.287161|14.412189|36.858105| |2.773639|3.027422|3.855180|4.635920|3.855273|3.027457|9.721359|7.811283|9.520521|14.046771|36.858105| |2.299535|2.478073|3.011875|3.446906|3.011933|2.478098|6.346707|5.258993|7.377637|8.491732|13.251349|36.858105| |2.017728|2.156554|2.550595|2.847663|2.550650|2.156581|4.933566|3.833301|5.665344|5.250821|7.292020|13.615409|36.858105| |1.787678|1.897985|2.198594|2.412251|2.198623|1.898000|4.016969|3.187821|4.935569|4.178412|5.028309|7.990004|13.896099|36.858105| |1.753554|1.858769|2.142660|2.341407|2.142672|1.858772|3.859432|3.197799|5.097164|4.202205|4.572559|6.899377|7.891660|13.525417|36.858105| |1.919732|2.042284|2.380045|2.623375|2.380050|2.042282|4.393283|3.850865|6.175370|5.310330|5.280251|7.798342|6.731681|7.839219|13.887650|36.858105| |2.223935|2.387714|2.865534|3.239817|2.865557|2.387721|5.752595|5.273579|7.913571|8.603134|8.399914|13.565858|7.846518|6.898227|8.042841|13.619577|36.858105| |2.543551|2.746982|3.363361|3.874966|3.363422|2.747007|7.058628|7.565608|11.355643|13.886033|8.499095|8.452741|5.334605|4.635722|5.168446|7.607302|13.946197|53.358707| |2.500131|2.684390|3.221415|3.640507|3.221140|2.684224|6.226982|6.728891|11.745637|9.060740|5.972410|5.919152|4.247898|3.917618|4.530602|6.617359|8.981830|26.104313|0.500000| |3.013979|3.300937|4.260921|5.212167|4.261119|3.301016|11.011814|6.640916|8.330313|7.932999|13.891796|7.488247|5.790077|4.114322|3.602999|3.881155|5.269641|7.299238|0.118979|53.358707| |3.762255|4.181780|5.755594|7.736035|5.755944|4.181895|18.731265|7.785203|9.562353|7.111629|8.484915|5.245433|4.201565|3.256318|2.980958|3.264140|4.267843|6.436507|0.111109|20.363033|36.858105| |3.999234|4.352487|5.486146|6.542781|5.486565|4.352679|9.687209|4.734402|6.835277|4.278724|4.867084|3.666214|3.258287|2.641069|2.399360|2.533394|3.084543|4.467327|0.081096|9.771311|10.727632|388.023441| |2.903090|3.104390|3.679360|4.122153|3.679557|3.104500|6.451225|3.697482|5.419245|3.733987|4.627309|3.778082|3.627949|2.888249|2.510831|2.545252|3.028637|4.108391|0.073629|9.391267|7.026249|74.846006|36.858105| |2.689973|2.822667|3.162323|3.388596|3.162457|2.822756|4.893078|2.913954|4.470170|2.887010|3.379227|2.918187|2.878771|2.403529|2.117097|2.123742|2.442247|3.312741|0.060880|6.058476|4.649846|49.764150|12.528582|36.858105| |2.912136|3.019076|3.276334|3.436808|3.276633|3.019304|4.687932|2.771188|4.340160|2.658056|2.992248|2.573311|2.494954|2.123344|1.909455|1.936199|2.215133|3.062120|0.057098|5.189775|4.210071|47.436184|7.971443|15.938535|73.516695| |2.256646|2.357096|2.607503|2.768344|2.607493|2.357083|4.047117|2.524823|3.916934|2.574839|3.032340|2.747919|2.825015|2.395352|2.080333|2.041803|2.298271|3.042816|0.056033|5.183653|3.729506|34.115719|7.947269|13.986863|14.938009|53.358707| |2.018017|2.086409|2.248030|2.345633|2.248044|2.086417|3.345289|2.134200|3.383501|2.163083|2.478345|2.296628|2.376405|2.077851|1.827783|1.785683|1.971109|2.612021|0.048762|4.044586|2.939016|25.947933|5.046763|7.619945|11.556025|18.406047|36.858105| |2.037592|2.086485|2.196805|2.260618|2.196831|2.086505|3.128807|1.992130|3.203650|1.978760|2.212283|2.034464|2.067852|1.829102|1.638524|1.617385|1.780791|2.394515|0.045177|3.563323|2.671716|24.042316|4.208495|6.267721|11.680232|10.501322|13.703413|36.858105| |1.800500|1.833487|1.905999|1.946912|1.906026|1.833510|2.681004|1.740106|2.832712|1.732685|1.914088|1.788826|1.829344|1.646965|1.485810|1.460525|1.587219|2.128955|0.040474|3.004231|2.237554|19.311671|3.232664|4.310345|7.981817|6.975910|7.938327|13.751428|36.858105| |1.621156|1.655108|1.730523|1.773204|1.730543|1.655124|2.473917|1.630064|2.655662|1.645083|1.824259|1.735535|1.802812|1.639607|1.472487|1.432331|1.540788|2.044240|0.038860|2.823962|2.061705|17.176453|2.912148|3.674610|6.426625|6.200367|6.864521|7.931971|13.800022|36.858105| |1.609929|1.653624|1.753463|1.811376|1.753476|1.653634|2.573706|1.703250|2.752629|1.744402|1.962351|1.887345|1.993643|1.809343|1.603474|1.543616|1.657201|2.172199|0.041029|3.041486|2.174217|17.805330|3.144554|3.888717|6.394451|7.066286|7.896823|6.852614|7.954208|13.785258|36.858105| |1.772290|1.831621|1.971424|2.055272|1.971432|1.831625|2.961374|1.937058|3.088569|1.996065|2.287728|2.183169|2.315107|2.060116|1.800733|1.732488|1.881327|2.456323|0.045948|3.626085|2.565617|21.305723|4.021219|5.151611|7.888154|10.860384|13.690811|7.940525|6.915182|7.986052|13.796156|36.858105| |1.433180|1.456076|1.505798|1.533357|1.505818|1.456093|2.124240|1.419092|2.338517|1.429846|1.564130|1.502001|1.558776|1.440341|1.307693|1.271570|1.353376|1.798074|0.034457|2.373519|1.735427|14.121552|2.299937|2.757999|4.904385|4.375853|4.215536|4.755482|7.025048|10.924021|7.029219|4.771299|448.794386| |17.720296|8.918991|5.648913|4.968529|5.648894|8.919014|4.914159|3.160494|5.900423|2.570156|2.398267|2.035464|1.811815|1.623858|1.596723|1.735923|1.979393|3.041722|0.061451|3.514735|3.115839|23.823651|2.554496|2.429784|4.715434|2.818021|1.884300|1.925639|1.722447|1.550413|1.527492|1.663456|11.111386|0.500000| |8.907979|17.727126|8.933351|5.661673|4.950649|5.642683|5.670587|3.608570|6.639307|2.906563|2.705050|2.267096|1.999561|1.778029|1.744792|1.905019|2.195309|3.392822|0.068073|3.973081|3.557294|26.543788|2.808769|2.609756|4.977416|3.012311|1.986124|2.000466|1.774558|1.604194|1.595485|1.753250|11.409787|0.214856|0.500000| |5.640758|8.891535|17.731979|8.939075|5.645926|4.951105|9.791262|5.763373|9.707528|4.374595|4.012167|3.149713|2.664468|2.292499|2.231472|2.478084|2.989290|4.745395|0.092145|5.970061|5.686722|36.997392|3.687865|3.139931|5.674677|3.567035|2.253820|2.182606|1.896188|1.732225|1.765360|1.989018|12.093916|0.124033|0.214517|0.500000| |5.640779|4.951112|5.645910|8.939117|17.731970|8.891488|9.791304|5.763083|9.705798|4.374619|4.012334|3.149818|2.664571|2.292551|2.231488|2.478085|2.989323|4.745533|0.092130|5.970555|5.687293|37.001877|3.688215|3.140165|5.675554|3.567011|2.253846|2.182654|1.896238|1.732263|1.765385|1.989034|12.094206|0.124032|0.107505|0.124408|0.500000| |8.908007|5.642661|4.950641|5.661685|8.933313|17.727131|5.670601|3.608507|6.638775|2.906576|2.705104|2.267137|1.999606|1.778055|1.744802|1.905022|2.195326|3.392879|0.068067|3.973227|3.557434|26.545383|2.808919|2.609884|4.977993|3.012290|1.986137|2.000498|1.774595|1.604221|1.595501|1.753258|11.410011|0.214854|0.124056|0.107505|0.214518|0.500000| |2.011254|2.146729|2.528234|2.812950|2.528307|2.146768|4.811885|3.541159|5.223509|4.561224|6.477616|8.861457|17.724694|8.924345|5.609799|4.878775|5.598896|5.888440|0.098646|8.217222|4.304129|24.797189|4.163618|3.265870|4.896988|4.456487|2.704556|2.300442|2.017293|1.996381|2.240101|2.649777|13.677831|0.050247|0.055356|0.073222|0.073226|0.055358|0.500000| |1.647482|1.741490|1.991202|2.162647|1.991230|1.741505|3.517704|2.727002|4.283182|3.411025|4.043048|5.660055|8.964314|17.724691|8.864725|5.621174|4.966095|5.002151|0.089202|4.811084|2.865941|17.213042|2.706126|2.306731|3.616332|3.197635|2.064777|1.808675|1.641664|1.652512|1.838671|2.083672|11.700059|0.041875|0.045600|0.057554|0.057555|0.045600|0.214549|0.500000| |1.601215|1.689065|1.919474|2.074664|1.919479|1.689065|3.335885|2.736979|4.468677|3.432298|3.635720|4.965692|5.642635|8.875167|17.714128|9.004098|5.689276|5.640173|0.106224|4.078172|2.551585|15.037096|2.213243|1.906378|3.079787|2.571372|1.684024|1.517978|1.389362|1.384436|1.505351|1.673255|9.958131|0.040829|0.044341|0.055395|0.055395|0.044341|0.123900|0.215606|0.500000| 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|2.702630|2.823767|3.319016|3.844862|3.552973|2.963424|6.189703|3.680136|5.369263|3.846009|4.912237|4.091574|4.003063|3.137566|2.684366|2.695620|3.209219|4.269230|0.075827|9.866796|6.654400|56.370906|17.617618|8.867643|10.964265|9.712198|4.730030|3.873856|3.055208|2.817796|3.094380|3.956706|18.008297|0.066366|0.070621|0.091090|0.103130|0.075823|0.130468|0.081665|0.065369|0.065867|0.303587|0.500000| |2.144678|2.250512|2.520869|2.699323|2.520815|2.250469|4.060171|2.576204|3.963145|2.697344|3.256151|3.012337|3.184213|2.671247|2.271624|2.198903|2.470167|3.207287|0.058537|5.550047|3.791888|32.183027|7.820321|9.474456|10.885242|26.059457|9.347881|5.744357|4.292825|4.094547|4.934693|7.676504|24.022023|0.054487|0.058641|0.071006|0.071004|0.058639|0.105710|0.073325|0.057054|0.054524|0.215233|0.215150|0.500000| 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