Version2.1 2021-01-08T11:10:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2=[NH+]C(=O)[C@@H]3[C@H](N=C(NC3=c2c1)Nc4nc5ccccc5s4)c6ccc(cc6)Cl C39916356 RHF 6-31G(d) (6D,7F) c1ccc2=[NH+]C(=O)[C@@H]3[C@H](N=C(NC3=c2c1)Nc4nc5ccccc5s4)c6ccc(cc6)Cl C01[X(C24H17Cl1N5O1S1)] 141 C1 522 Clc1ccc(cc1)[C@H]1N=C(Nc2nc3c(s2)cccc3)NC2=c3c(=[NH+]C(=O)[C@H]12)cccc3 Clc1ccc(cc1)[C@H]1N=C(Nc2nc3c(s2)cccc3)NC2=c3c(=[NH+]C(=O)[C@H]12)cccc3 Clc1ccc(cc1)[C@H]2N=C(Nc3sc4ccccc4n3)NC5=C6C=CC=CC6=[NH+]C(=O)[C@H]25 InChIKey=QCGWXVFGAAMYRR-WOJBJXKFSA-O InChI=1S/C24H16ClN5OS/c25-14-11-9-13(10-12-14)20-19-21(15-5-1-2-6-16(15)26-22(19)31)29-23(28-20)30-24-27-17-7-3-4-8-18(17)32-24/h1-12,19-20H,(H2,27,28,29,30)/p+1/t19-,20-/m1/s1 InChI=1/C24H16ClN5OS/c25-14-11-9-13(10-12-14)20-19-21(15-5-1-2-6-16(15)26-22(19)31)29-23(28-20)30-24-27-17-7-3-4-8-18(17)32-24/h1-12,19-20H,(H2,27,28,29,30)/p+1/t19-,20-/m1/s1/fC24H17ClN5OS/h26,29-30H/q+1 c1ccc2=[NH+]C(=O)[C@@H]3[C@H](N=C(NC3=c2c1)Nc4nc5ccccc5s4)c6ccc(cc6)Cl C01[X(C24H17Cl1N5O1S1)] 141 C01 522 Clc1ccc(cc1)[C@H]1N=C(Nc2nc3c(s2)cccc3)NC2=c3c(=[NH+]C(=O)[C@H]12)cccc3 Cl[C]1[CH][CH][C]([CH][CH]1)[C@H]1N=C(NC2=N[C]3[C]([CH][CH][CH][CH]3)S2)[NH][C]2[C]3[C]([CH][CH][CH]=[CH]3)NC(=O)[C@H]12 Cl[C]1[CH][CH][C]([CH][CH]1)[C@H]2N=C(N[C]3[C]4C=C[CH][CH][C]4NC(=O)[C@H]23)NC5=N[C]6[CH][CH][CH][CH][C]6S5 InChIKey=NBNDRVMNIOUDLB-WOJBJXKFSA-N InChI=1S/C24H17ClN5OS/c25-14-11-9-13(10-12-14)20-19-21(15-5-1-2-6-16(15)26-22(19)31)29-23(28-20)30-24-27-17-7-3-4-8-18(17)32-24/h1-12,19-20H,(H,26,31)(H2,27,28,29,30)/t19-,20-/m1/s1 InChI=1/C24H17ClN5OS/c25-14-11-9-13(10-12-14)20-19-21(15-5-1-2-6-16(15)26-22(19)31)29-23(28-20)30-24-27-17-7-3-4-8-18(17)32-24/h1-12,19-20H,(H,26,31)(H2,27,28,29,30)/t19-,20-/m1/s1/f/h26,29-30H 3270.0829628514 -2122.6684238 1-A 19047.8174 118 404 522 |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| -104.89526 -92.06520 -20.69941 -15.82561 -15.76739 -15.74651 -15.68932 -15.65440 -11.54138 -11.52253 -11.52240 -11.48380 -11.45016 -11.43050 -11.42274 -11.42169 -11.41979 -11.41618 -11.39243 -11.38757 -11.38159 -11.34540 -11.34341 -11.34223 -11.33549 -11.33100 -11.32928 -11.32641 -11.31458 -11.30529 -11.30398 -11.30265 -10.62867 -9.07475 -8.09807 -8.09462 -8.09461 -6.75713 -6.75612 -6.75415 -1.57372 -1.53462 -1.44965 -1.43609 -1.38698 -1.34653 -1.31904 -1.27749 -1.26477 -1.22224 -1.21255 -1.19477 -1.18767 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463.3922 488.4049 496.3740 505.2099 536.8236 552.4849 565.8902 598.6411 601.4243 618.1763 635.9505 643.5509 656.9013 677.4494 685.1612 696.5938 720.7004 732.0832 733.8961 743.2145 757.4345 770.0984 784.4561 790.5561 805.8089 818.0094 831.7009 851.2441 858.8694 863.7252 886.9390 932.8941 940.6289 951.0674 964.7899 973.2667 979.9687 997.6081 1017.4010 1074.0757 1080.4200 1085.8842 1096.2793 1104.0575 1112.9431 1116.5409 1117.2670 1123.6944 1124.9310 1153.1365 1172.0992 1174.3693 1196.6123 1213.8014 1222.5437 1227.2543 1237.6184 1255.5411 1259.3799 1273.5266 1303.9404 1310.0958 1319.5413 1326.9667 1339.8406 1355.1525 1372.1900 1380.3942 1382.4253 1413.1262 1422.9705 1433.2005 1442.8427 1460.0715 1476.7028 1493.6238 1512.5371 1571.2332 1574.9551 1609.1489 1618.7866 1626.4159 1645.2875 1668.4545 1675.7504 1680.1782 1739.5756 1764.7430 1767.9838 1772.3730 1783.4545 1807.6970 1810.3882 1818.4120 1991.2127 2042.2231 3160.6951 3270.2735 3363.9692 3373.3414 3381.2812 3383.9583 3389.3344 3394.4522 3395.4033 3403.3945 3403.6310 3406.6028 3411.8103 3418.4245 3819.7450 3836.8181 3849.5712 7.4314 7.0535 7.0086 8.2110 4.2031 6.0622 6.0712 8.4698 6.6032 7.3873 5.8018 7.2394 6.5306 8.2171 5.9265 8.1361 8.1843 5.3143 6.5223 6.3606 4.6982 4.5850 4.6957 5.3962 1.7313 4.5009 4.0240 3.2699 6.0172 3.2155 6.9320 5.4316 7.5891 8.3766 2.8996 3.3890 3.8377 1.8747 7.1982 4.8476 4.7498 3.0789 6.1230 4.7405 4.3015 3.5396 3.3020 4.6804 4.5530 6.8770 4.8593 4.2877 4.0280 3.2103 2.8384 2.0791 1.4221 2.5162 5.1966 3.0441 1.6269 1.5498 2.2802 2.4713 1.3703 5.4105 5.7228 4.3413 1.3556 1.4351 1.3945 1.4379 3.2752 2.8678 2.4454 2.7748 1.3260 1.3859 3.9326 3.3836 2.2937 3.2885 2.5876 1.8272 3.3256 1.7446 1.8982 2.3652 2.5125 1.1523 1.5418 1.5714 2.3219 2.0482 2.3797 2.0698 1.9998 2.4575 2.0469 2.5771 1.5602 3.1461 1.3395 1.5047 2.6166 1.7726 2.0150 1.9116 2.2843 2.4793 2.3050 2.6114 2.3089 3.5134 3.2019 5.1481 4.4949 6.0975 5.0620 5.3706 4.9681 5.0456 8.8409 10.3585 1.0805 1.0867 1.0905 1.0881 1.0903 1.0918 1.0915 1.0908 1.0959 1.0981 1.0963 1.0953 1.0965 1.0983 1.0790 1.0791 1.0783 0.0012 0.0022 0.0024 0.0047 0.0055 0.0116 0.0208 0.0338 0.0428 0.0754 0.0782 0.1128 0.1508 0.2025 0.1627 0.2448 0.2920 0.2374 0.3179 0.3989 0.3434 0.3406 0.3717 0.5210 0.1815 0.4971 0.4874 0.4047 0.7613 0.4519 1.0063 0.8168 1.2886 1.5065 0.5471 0.7156 0.8179 0.4221 1.7152 1.1829 1.2076 0.8325 1.6936 1.3553 1.3164 1.1177 1.0479 1.5232 1.5390 2.4029 1.7618 1.5789 1.5410 1.2657 1.1568 0.8876 0.6181 1.1060 2.4085 1.5609 0.8481 0.8259 1.2505 1.3793 0.7753 3.1726 3.4901 2.9508 0.9323 0.9970 0.9875 1.0327 2.3902 2.1064 1.7986 2.0643 0.9887 1.0858 3.1831 2.7494 1.9350 2.8546 2.2786 1.6215 3.0012 1.6203 1.7738 2.2602 2.5170 1.1652 1.5817 1.6302 2.4559 2.2161 2.6399 2.3238 2.2518 2.8913 2.4420 3.1188 1.9136 3.9516 1.7210 1.9779 3.5269 2.5783 2.9449 2.9164 3.5268 3.8641 3.6762 4.2830 3.8200 5.8438 5.7088 9.4462 8.2781 11.2853 9.4863 10.3401 9.5936 9.8299 20.6529 25.4538 6.3600 6.8476 7.2704 7.2952 7.3444 7.3661 7.3877 7.4051 7.4438 7.4941 7.4830 7.4892 7.5203 7.5616 9.2758 9.3598 9.4153 0.2577 0.0704 1.2505 0.6239 0.4708 1.4809 0.1384 0.1156 6.3920 0.6150 2.0533 2.0826 3.4229 1.9540 1.1086 0.5083 0.1081 2.8721 2.9086 3.1555 10.7955 1.9184 2.3473 3.4939 52.7818 3.4489 0.2757 1.6630 2.5404 16.0971 25.1371 6.7393 0.2356 0.1322 4.5196 25.3795 6.3644 19.6392 24.7770 2.6205 34.2126 25.0300 31.9397 22.1876 24.1056 7.1645 46.8281 23.3975 23.8904 5.3366 17.7968 24.5273 5.3030 5.4647 74.7659 67.1941 77.5656 11.6930 21.3680 15.1440 13.8389 36.9373 10.4815 23.1501 1.0983 29.3106 11.8771 120.2028 1.6985 8.0389 2.4285 1.5244 37.1946 16.0160 2.1507 64.6403 0.0309 2.2053 0.7150 59.6181 8.5195 90.0221 472.6107 0.5239 86.7829 2.5533 26.2695 3.2309 7.2177 1.4055 8.4295 49.8514 13.1904 7.3192 6.1515 58.8190 117.3152 159.2435 105.1802 430.0706 125.1530 4.3973 54.3507 3.4856 147.5946 67.1003 36.3010 19.1072 11.2035 100.7438 211.0084 337.3822 82.0129 53.3749 1627.8550 30.8847 72.6049 39.1638 182.5923 21.5697 306.3515 232.8848 817.9205 505.2352 17.9930 4.5738 16.1553 0.6252 3.9405 4.9335 0.5787 3.6196 15.6570 16.2271 1.3015 1.9451 1.5023 0.6385 138.0026 17.8500 137.5364 4.2840 6.2981 3.1086 3.2287 7.9027 2.7840 6.5515 0.4861 3.7586 1.8672 0.3841 1.2675 0.9399 1.1262 1.2447 1.4441 0.6971 2.5064 4.5010 0.4073 1.9809 2.7857 1.2010 0.9639 4.6373 5.6195 4.8132 1.7727 2.8566 0.3302 2.7006 5.1424 1.6761 21.8530 0.7743 2.7039 0.2598 2.5015 2.4842 6.5726 0.8868 2.5699 5.3355 7.3769 9.2430 1.8457 8.4062 2.1024 14.9379 10.2739 7.1649 4.0895 1.3251 3.6250 3.8011 2.9215 0.2752 3.3292 11.1527 30.2567 6.4766 2.9501 2.9666 3.7395 1.7937 18.9365 5.9951 31.9203 0.0758 3.8852 1.0558 0.4873 1.4096 7.4888 19.9488 84.6030 0.5546 0.1709 3.0166 4.6364 1.2544 19.0570 62.8134 3.2547 29.2420 53.2301 20.6516 3.0727 40.3885 3.8092 30.3167 11.1244 28.7274 25.1518 81.8456 171.7723 22.8472 89.6850 113.8385 57.5222 20.7585 184.3255 41.7443 12.6495 20.5502 23.1384 8.5987 9.1395 41.0396 84.3240 3.9527 83.1006 3.5576 256.5672 473.5425 134.9295 15.7092 7.1760 208.5879 67.2935 98.6591 60.9338 221.3443 28.0499 55.3201 44.8452 40.7503 40.5559 18.0728 112.6844 81.7176 41.7618 100.4941 258.7066 161.4281 72.0510 142.0429 248.8584 89.7712 8.2489 110.8197 0.7500 0.7483 0.7248 0.7487 0.7452 0.7497 0.7493 0.7088 0.7459 0.6766 0.6904 0.3229 0.7422 0.0888 0.7214 0.3319 0.2331 0.5731 0.2844 0.6006 0.7487 0.7498 0.3717 0.6660 0.7411 0.4198 0.7484 0.7437 0.3633 0.7474 0.4558 0.3304 0.7492 0.3289 0.4507 0.3749 0.7250 0.6765 0.6785 0.1464 0.5394 0.2025 0.6477 0.7087 0.4637 0.3718 0.4576 0.3190 0.0585 0.1254 0.4249 0.2510 0.7332 0.7431 0.1945 0.5801 0.7285 0.2280 0.6068 0.0734 0.0675 0.3663 0.6977 0.3824 0.7490 0.0966 0.5674 0.1780 0.7499 0.1886 0.7464 0.5280 0.1585 0.5155 0.1550 0.3174 0.7295 0.5030 0.3075 0.4693 0.3877 0.1302 0.4427 0.5171 0.2886 0.3074 0.2990 0.2721 0.0989 0.3073 0.4201 0.3147 0.2151 0.7498 0.3026 0.2438 0.7380 0.3060 0.2874 0.2370 0.2531 0.2874 0.3382 0.6720 0.3604 0.4579 0.5550 0.4158 0.3858 0.3226 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0.00384 0.00249 0.12911 0.07996 0.05198 24.01 32.81 35.01 44.87 67.72 82.00 109.64 118.45 150.89 189.37 217.67 233.99 284.82 294.26 310.57 325.15 354.04 396.17 413.82 469.41 506.74 510.85 527.37 582.40 606.86 622.94 652.38 659.45 666.72 702.71 714.17 726.88 772.37 794.90 814.19 861.31 865.32 889.42 914.99 925.93 945.13 974.70 985.79 1002.24 1036.93 1053.30 1055.91 1069.32 1089.78 1108.00 1128.66 1137.43 1159.38 1176.93 1196.63 1224.75 1235.72 1242.71 1276.11 1342.23 1353.36 1368.37 1388.12 1400.31 1409.96 1435.34 1463.81 1545.36 1554.48 1562.35 1577.30 1588.49 1601.28 1606.45 1607.50 1616.75 1618.52 1659.11 1686.39 1689.66 1721.66 1746.39 1758.97 1765.75 1780.66 1806.44 1811.97 1832.32 1876.08 1884.94 1898.53 1909.21 1927.73 1949.76 1974.28 1986.08 1989.00 2033.17 2047.34 2062.06 2075.93 2100.72 2124.65 2148.99 2176.20 2260.65 2266.01 2315.21 2329.07 2340.05 2367.20 2400.53 2411.03 2417.40 2502.86 2539.07 2543.73 2550.05 2565.99 2600.87 2604.74 2616.29 2864.91 2938.30 4547.54 4705.19 4840.00 4853.49 4864.91 4868.76 4876.50 4883.86 4885.23 4896.73 4897.07 4901.34 4908.83 4918.35 5495.76 5520.33 5538.67 0.398816 0.422349 0.423293 0.341941 -2122.269608 -2122.246075 -2122.245131 -2122.326482 2.728526D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE c1ccc2=[NH+]C(=O)[C@@H]3[C@H](N=C(NC3=c2c1)Nc4nc5ccccc5s4)c6ccc(cc6)Cl C39916356 RHF 6-31G(d) (6D,10F) C1 458.084235 |X|Y|Z| 107.423073 82.825210 25.453236 60.953836 30 6 7 16 24 5 1 |36.858105| |13.524254|36.858105| |7.851251|13.907411|36.858105| |6.793194|7.955037|13.622994|36.858105| |4.564517|5.234268|7.968137|13.910033|53.358707| |4.028433|4.849658|7.412414|9.301614|25.929594|0.500000| |3.739090|3.946540|5.166414|7.822706|18.844629|0.263133|36.858105| |3.067136|3.262829|4.130735|5.459925|11.594060|0.218833|16.111456|73.516695| |3.855711|3.745646|4.488227|6.677932|10.587320|0.158218|12.492700|14.192534|36.858105| |3.739342|3.644510|4.312304|6.093896|9.317127|0.145141|9.128465|11.651366|17.425170|0.500000| |3.028796|2.910039|3.325952|4.399185|6.831160|0.115916|7.431879|11.974400|12.244943|0.244147|36.858105| |2.879360|2.808154|3.227139|4.190612|6.665968|0.116937|7.245218|13.026633|8.848265|0.175817|17.603137|0.500000| |2.941571|2.713168|2.956181|3.753660|5.326441|0.092237|5.000480|7.999876|7.622934|0.178392|13.157902|0.257951|53.358707| |3.340715|2.954183|3.123765|3.950490|5.231426|0.089669|4.562082|6.974004|6.859639|0.163789|8.063860|0.181561|20.933767|36.858105| |4.459127|3.773594|3.960895|5.243563|6.376975|0.105006|5.217371|7.386175|7.930072|0.183233|6.765270|0.159379|11.014847|13.299494|53.358707| |5.098204|4.539848|5.135830|7.855044|9.332591|0.140579|7.597005|9.483759|12.663158|0.258287|7.366919|0.172601|9.171328|7.919599|19.856886|36.858105| |7.874238|6.868363|7.853587|13.518162|10.723096|0.160105|6.603493|8.377369|7.517131|0.185067|4.899256|0.124587|6.101344|5.109593|10.821535|13.382020|36.858105| |14.024529|7.990609|6.836643|7.814740|7.007626|0.118213|4.427149|6.207817|4.951259|0.130270|3.744140|0.096667|5.030207|4.381484|8.879639|7.612241|13.411046|36.858105| |3.018713|2.624878|2.680080|3.214332|4.168788|0.073736|3.453280|5.459912|4.627028|0.118059|5.224620|0.128468|11.236239|14.029460|11.262332|5.389751|4.062267|3.828395|53.358707| |2.473750|2.202280|2.250128|2.628804|3.493533|0.063331|2.897486|4.764336|3.675824|0.095984|4.355586|0.110925|8.855339|7.711508|7.086463|3.942257|3.146613|2.990685|18.584640|36.858105| |2.299355|2.035439|2.042571|2.326975|3.052841|0.056028|2.463217|4.068402|3.011957|0.080045|3.391895|0.088019|6.215068|5.340727|5.694216|3.280072|2.757083|2.718502|11.382163|15.058046|53.358707| |1.973785|1.781188|1.797406|2.024569|2.700062|0.050244|2.182704|3.683701|2.595103|0.069460|2.966599|0.078375|5.193173|4.094658|4.475306|2.720869|2.328750|2.278710|7.424974|8.729220|18.673756|36.858105| |1.785060|1.615597|1.615618|1.788599|2.375081|0.044632|1.889119|3.202535|2.193428|0.059214|2.440096|0.065054|4.068427|3.193507|3.694498|2.305353|2.031813|2.020976|5.481832|5.425347|10.510055|13.689800|36.858105| |1.592045|1.460164|1.468060|1.616024|2.169118|0.041114|1.727302|2.966662|1.972344|0.053409|2.205660|0.059378|3.578180|2.715672|3.172375|2.031273|1.804256|1.780945|4.415980|4.187086|7.027243|8.004170|13.829784|36.858105| |1.544332|1.430918|1.454289|1.609363|2.189693|0.041611|1.763934|3.064686|2.006900|0.054249|2.293198|0.062106|3.699428|2.714217|3.120382|2.021485|1.780089|1.728730|4.280025|4.083052|6.254924|6.897058|7.886421|13.628137|36.858105| |1.658558|1.539468|1.579739|1.771034|2.431262|0.045957|1.990835|3.470071|2.293914|0.061625|2.703379|0.073115|4.462331|3.190302|3.537126|2.277636|1.964950|1.877689|5.006200|5.009772|7.120559|7.853689|6.765769|7.885395|13.812437|36.858105| |1.884002|1.727864|1.771057|2.009811|2.737385|0.051112|2.255415|3.871895|2.671854|0.071251|3.185122|0.084852|5.575167|4.083404|4.328133|2.694564|2.275551|2.170938|6.820347|7.879681|11.075986|13.705407|7.905165|6.937438|8.036467|13.721846|36.858105| |2.139650|1.967725|2.053489|2.395984|3.312431|0.060944|2.824289|4.835444|3.480513|0.090985|4.484270|0.117373|8.713194|5.882092|5.574591|3.411676|2.740164|2.523558|9.299970|10.892975|10.005385|7.389935|4.866962|4.249789|4.690632|6.713574|10.861349|388.023441| |2.559632|2.509643|2.858498|3.593097|5.702833|0.102129|5.867312|10.714306|7.507861|0.204716|12.505102|0.248612|10.701310|5.406321|6.267179|4.959229|3.771426|3.028297|5.560171|3.718105|4.077236|2.734969|2.284994|2.113375|2.236902|2.644620|3.014740|29.379703|36.858105| |2.263286|2.269049|2.599622|3.164385|5.165324|0.097386|5.174441|10.839187|5.444711|0.145058|7.530356|0.204296|7.275562|4.027603|4.869209|3.878941|3.167196|2.594139|4.426417|3.069905|3.478906|2.403211|2.049996|1.935134|2.072126|2.432046|2.677782|24.965729|13.752187|36.858105| |1.994106|2.008671|2.272266|2.673473|4.267391|0.082625|3.956803|8.075219|4.070853|0.115155|5.002209|0.133303|5.513480|3.239990|3.967793|3.112538|2.650891|2.239112|3.743565|2.668940|3.108027|2.193843|1.904340|1.825588|1.968591|2.288068|2.452479|21.882649|7.909600|13.747931|36.858105| |1.943287|1.939966|2.163933|2.521300|3.906809|0.074998|3.493594|6.692416|3.760250|0.112329|4.434709|0.111362|5.226929|3.144429|3.835552|2.963039|2.537987|2.180017|3.706426|2.667505|3.135313|2.222009|1.936505|1.858628|2.000975|2.315324|2.474717|21.715416|6.871554|7.972766|13.790877|36.858105| |2.117528|2.080105|2.301651|2.715920|4.112886|0.076901|3.672831|6.640296|4.259293|0.133668|5.005952|0.116758|6.133767|3.675390|4.406596|3.359797|2.811878|2.414418|4.293052|3.057830|3.550088|2.475846|2.130820|2.015234|2.148933|2.497342|2.733342|24.424920|7.899321|6.876039|7.921892|13.755449|36.858105| |2.445972|2.371317|2.641640|3.232159|4.894856|0.088343|4.581253|7.946028|5.911311|0.188008|7.536990|0.156221|8.902277|4.964461|5.747412|4.384539|3.448181|2.874480|5.418958|3.705008|4.131732|2.787414|2.339586|2.164667|2.285197|2.687680|3.055054|28.946776|13.703699|7.968861|6.887031|7.981854|13.786057|36.858105| |1.674754|1.680373|1.850170|2.090547|3.179801|0.062384|2.705869|5.152346|2.823447|0.083966|3.158345|0.081934|3.901354|2.464703|3.068181|2.348575|2.085374|1.839904|3.018292|2.209475|2.678142|1.934270|1.726832|1.685011|1.817650|2.060741|2.140421|17.815675|4.225556|4.775631|7.050627|10.973596|7.050598|4.781052|448.794386| |17.761127|8.830342|5.618964|4.914144|4.942864|0.091514|3.097506|4.656790|3.225394|0.087770|2.645892|0.070116|3.578341|2.995672|5.237536|4.126000|5.607129|8.992099|3.820782|2.337888|3.018355|1.909638|1.748399|1.558007|1.499094|1.594212|1.803397|14.284755|2.274963|2.026417|1.807968|1.774345|1.931032|2.201993|12.431386|0.500000| |8.864148|17.731632|9.021591|5.661631|5.762392|0.114624|3.304295|5.042982|3.109522|0.084877|2.507176|0.067755|3.202996|2.535719|4.247459|3.614504|4.950705|5.682931|3.128574|1.967532|2.504746|1.628114|1.492238|1.356934|1.328355|1.419246|1.578611|12.607985|2.211711|2.031773|1.825388|1.768103|1.879715|2.105751|12.482148|0.213934|0.500000| |5.601807|8.951647|17.738611|8.890400|9.913995|0.223114|4.773582|7.181138|3.931280|0.106035|3.022278|0.082653|3.611538|2.736281|4.516198|4.172198|5.606225|4.934794|3.224050|2.031743|2.520564|1.652132|1.493780|1.369564|1.363370|1.478065|1.640142|13.442642|2.679068|2.503205|2.217435|2.100289|2.196488|2.471624|14.586829|0.123722|0.217009|0.500000| |4.872467|3.886139|3.863941|4.820522|5.583784|0.094595|4.285056|6.238320|5.733683|0.140562|5.018554|0.125519|8.083286|9.101202|25.973607|9.557793|7.370461|7.335297|10.682485|5.000042|5.799214|3.283375|2.756044|2.337204|2.255619|2.510238|3.065611|26.654876|3.713892|3.016569|2.530002|2.463085|2.795598|3.494572|16.245270|0.119841|0.089593|0.089114|0.500000| |9.083871|5.676586|4.934749|5.578558|5.660369|0.097515|3.835103|5.541601|4.515322|0.119853|3.630996|0.092868|5.173898|4.741869|9.701589|6.911552|8.776313|17.730349|5.929602|3.320387|4.161060|2.503569|2.216243|1.923997|1.845430|1.996897|2.336178|19.125933|2.940300|2.494099|2.164148|2.128171|2.381364|2.840212|14.461903|0.218416|0.124963|0.107245|0.257697|0.500000| |3.210398|2.713614|2.698469|3.172993|3.986084|0.070753|3.181205|4.982308|4.137083|0.107883|4.317163|0.107709|8.153276|9.283276|10.622426|5.101212|4.086273|4.090130|25.997015|9.584242|11.010212|5.114545|3.987609|3.152993|2.956979|3.322987|4.382846|37.334997|3.475927|2.833185|2.443264|2.437957|2.808639|3.447982|16.273624|0.084393|0.066101|0.065689|0.243489|0.136169|0.500000| |1.808807|1.624369|1.607320|1.765083|2.317647|0.043571|1.820640|3.065109|2.105527|0.057008|2.289134|0.060933|3.771714|3.027823|3.611538|2.251126|2.013386|2.037460|5.213924|4.822020|9.490639|8.904392|17.739618|8.880125|5.607424|4.897856|5.633958|28.753335|2.126868|1.906130|1.770331|1.801118|1.983596|2.178942|12.946511|0.049683|0.041799|0.041175|0.076352|0.062662|0.110225|0.500000| |1.489404|1.368963|1.369994|1.494449|2.000689|0.038110|1.579113|2.715321|1.783273|0.048464|1.965322|0.053067|3.126807|2.378346|2.843398|1.840999|1.658183|1.649305|3.801388|3.438743|5.659999|5.673791|8.964082|17.729521|8.900745|5.635725|4.986469|24.382795|1.890369|1.745418|1.658409|1.690170|1.821158|1.937511|12.451073|0.040733|0.035542|0.035616|0.058578|0.049403|0.076664|0.214044|0.500000| |1.422576|1.327477|1.350657|1.485433|2.029530|0.038817|1.629263|2.850937|1.828953|0.049587|2.077108|0.056596|3.272090|2.377097|2.778790|1.828542|1.625795|1.578264|3.651893|3.338974|4.967602|4.965640|5.634495|8.890829|17.730579|8.963527|5.688314|27.349558|2.051835|1.930937|1.857801|1.889076|2.002800|2.095115|14.003403|0.038413|0.034398|0.035373|0.055727|0.046471|0.070460|0.123704|0.215564|0.500000| |1.592906|1.493377|1.544769|1.733391|2.408713|0.045755|1.987047|3.509200|2.265489|0.060859|2.706261|0.073862|4.361204|3.016504|3.357216|2.202621|1.900017|1.795935|4.532858|4.318007|5.771231|5.599708|4.897136|5.613970|8.904615|17.731065|8.852828|44.027031|2.711300|2.545243|2.423521|2.443112|2.590234|2.740851|17.562724|0.042341|0.038294|0.040388|0.065364|0.052459|0.082750|0.106604|0.123922|0.215128|0.500000| |2.257483|2.284465|2.637519|3.200700|5.322690|0.102285|5.378305|12.281511|5.198626|0.129985|6.972926|0.224747|6.710066|3.817939|4.718553|3.791586|3.146773|2.569326|4.218617|2.915222|3.326600|2.300069|1.972906|1.865975|1.995058|2.329023|2.552056|23.506419|8.913112|17.746491|8.963678|5.674277|4.955953|5.655118|31.681569|0.056026|0.056924|0.071102|0.082007|0.068061|0.075420|0.051094|0.046901|0.051803|0.067719|0.500000| |1.838725|1.867864|2.109008|2.435359|3.885010|0.077016|3.499353|7.297943|3.448171|0.095992|4.080914|0.113954|4.617426|2.796566|3.479649|2.726136|2.380944|2.035240|3.297631|2.370902|2.805490|2.001236|1.759377|1.702939|1.841119|2.119552|2.233696|19.394518|5.634611|8.904335|17.753725|8.932288|5.643390|4.962142|53.829780|0.046543|0.047589|0.057871|0.062661|0.054502|0.060437|0.045521|0.043253|0.048735|0.062769|0.215971|0.500000| 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