Version2.1 2021-01-13T14:18:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 28-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)n2c(nnc2SCC(=O)N3CCNC3=O)CSc4nc5ccccc5s4 C21464341 RHF 6-31G(d) (6D,7F) c1ccc(cc1)n2c(nnc2SCC(=O)N3CCNC3=O)CSc4nc5ccccc5s4 C01[X(C21H18N6O2S3)] 144 C1 528 O=C(N1CCNC1=O)CSc1nnc(n1c1ccccc1)CSc1nc2c(s1)cccc2 O=C(N1CCNC1=O)CSc1nnc(n1c1ccccc1)CSc1nc2c(s1)cccc2 O=C(CSc1nnc(CSc2sc3ccccc3n2)n1c4ccccc4)N5CCNC5=O InChIKey=BJPKQYJCAYOMBQ-UHFFFAOYSA-N InChI=1S/C21H18N6O2S3/c28-18(26-11-10-22-19(26)29)13-30-20-25-24-17(27(20)14-6-2-1-3-7-14)12-31-21-23-15-8-4-5-9-16(15)32-21/h1-9H,10-13H2,(H,22,29) InChI=1/C21H18N6O2S3/c28-18(26-11-10-22-19(26)29)13-30-20-25-24-17(27(20)14-6-2-1-3-7-14)12-31-21-23-15-8-4-5-9-16(15)32-21/h1-9H,10-13H2,(H,22,29)/f/h22H c1ccc(cc1)n2c(nnc2SCC(=O)N3CCNC3=O)CSc4nc5ccccc5s4 C01[X(C21H18N6O2S3)] 144 C01 528 O=C(N1CCNC1=O)CSc1nnc(n1c1ccccc1)CSc1nc2c(s1)cccc2 O=C(N1CCNC1=O)CS[C]1[N][N]=C(N1[C]1[CH][CH][CH][CH][CH]1)CSC1=N[C]2[C]([CH][CH][CH][CH]2)S1 O=C(CS[C]1[N]N=C(CSC2=N[C]3[CH][CH][CH][CH][C]3S2)N1[C]4[CH][CH][CH][CH][CH]4)N5CCNC5=O InChIKey=BJPKQYJCAYOMBQ-UHFFFAOYSA-N InChI=1S/C21H18N6O2S3/c28-18(26-11-10-22-19(26)29)13-30-20-25-24-17(27(20)14-6-2-1-3-7-14)12-31-21-23-15-8-4-5-9-16(15)32-21/h1-9H,10-13H2,(H,22,29) InChI=1/C21H18N6O2S3/c28-18(26-11-10-22-19(26)29)13-30-20-25-24-17(27(20)14-6-2-1-3-7-14)12-31-21-23-15-8-4-5-9-16(15)32-21/h1-9H,10-13H2,(H,22,29)/f/h22H 3429.1222860139 -2474.6935684 1-A 27601.5758 125 403 528 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.98536 -91.96967 -91.96090 -20.55845 -20.54193 -15.63940 -15.62234 -15.60147 -15.57631 -15.57327 -15.56919 -11.39759 -11.38014 -11.34591 -11.32614 -11.31026 -11.29606 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400.1059 427.3712 441.5516 445.6249 460.8765 469.6613 482.0108 490.7212 544.5184 547.5850 548.7625 581.0732 624.6611 627.0680 645.6372 658.9092 675.4995 681.3222 718.1256 730.4502 751.0872 760.7822 771.2205 771.4883 783.2678 784.6777 816.8162 827.2629 835.1006 855.6660 859.5358 866.6852 877.7335 899.4195 935.1840 954.4275 974.1944 976.6891 1002.1367 1014.0307 1030.0440 1054.6539 1074.4362 1093.1270 1105.8026 1108.0528 1113.7121 1116.1599 1119.7512 1126.2273 1133.6836 1135.2562 1148.3230 1167.4657 1179.7881 1184.5651 1218.9551 1220.0196 1225.4974 1241.2875 1252.2177 1281.8953 1285.6654 1294.3149 1307.6926 1335.1902 1341.8978 1349.4876 1372.1324 1373.4882 1397.2702 1406.3365 1418.2813 1420.5698 1430.4276 1468.6515 1486.9177 1499.5408 1532.5409 1569.9010 1571.9692 1582.4342 1602.8020 1616.2274 1617.9615 1624.1400 1626.5086 1670.4981 1674.7045 1684.0541 1689.8102 1720.9037 1764.8067 1769.4412 1788.4323 1801.1860 1807.8046 1965.0920 2014.3268 3216.5329 3259.6906 3273.3545 3291.8266 3307.7135 3337.5540 3339.2810 3360.9648 3364.9749 3367.5065 3378.2639 3378.6102 3387.6362 3390.7550 3396.0813 3400.8686 3404.8762 3886.8222 7.1866 7.2383 6.8637 6.3194 4.3671 6.1155 6.7984 7.1222 8.4723 7.3356 8.5425 6.4297 7.1776 5.1528 2.6817 6.7840 5.2860 3.1462 7.2400 5.8716 3.1359 8.1529 5.0134 4.8085 6.6880 7.2869 10.6068 6.8023 8.7754 10.6177 8.0240 2.9334 6.9568 3.2410 4.7475 2.5457 2.1192 7.1201 5.1488 3.6588 2.4605 8.9309 6.0463 6.5266 5.2533 9.8214 5.3090 7.6619 7.3011 6.8389 2.0348 3.7316 11.5530 3.0757 3.2564 4.1468 1.4498 9.4029 3.1849 3.4862 6.1187 6.9319 1.2440 1.5296 1.3762 1.5976 1.9477 2.8622 1.4652 1.3582 6.0148 1.7364 3.4157 3.0323 1.3174 4.5738 2.9137 1.3588 4.6730 2.3235 2.0631 1.7031 4.9647 8.2910 2.3677 1.7887 1.6287 1.7195 3.6025 1.2640 1.1449 1.1397 1.5256 1.1594 1.9921 1.2992 2.9620 2.7478 2.4548 1.8108 2.0279 1.6296 1.3388 5.0123 1.5813 2.2249 3.0607 2.8414 1.2283 1.8254 2.3078 2.1287 2.3657 1.1735 1.1160 3.6573 4.6504 1.1049 10.0378 6.2112 10.1821 5.5118 5.9263 5.3768 12.3297 10.2935 1.0703 1.0701 1.0589 1.0964 1.0606 1.1031 1.1096 1.1059 1.0876 1.0876 1.0917 1.0911 1.0941 1.0964 1.0975 1.0969 1.0976 1.0793 0.0004 0.0005 0.0010 0.0014 0.0018 0.0047 0.0058 0.0115 0.0212 0.0250 0.0396 0.0456 0.0594 0.0431 0.0276 0.0992 0.0888 0.0668 0.1791 0.1521 0.1023 0.2800 0.2011 0.2232 0.4114 0.5438 0.8931 0.6416 0.9443 1.2197 0.9388 0.3671 0.9041 0.4436 0.6736 0.4447 0.3744 1.2633 1.0243 0.8412 0.5700 2.1934 1.5466 1.7546 1.4368 2.9842 1.6689 2.5467 2.4898 2.3966 0.7135 1.3488 4.1911 1.2091 1.3130 1.7039 0.6254 4.0930 1.4095 1.5824 2.9163 3.5719 0.6677 0.8553 0.7735 0.9453 1.1800 1.7892 0.9602 0.9238 4.2346 1.2510 2.4709 2.2160 0.9670 3.3789 2.1775 1.0290 3.5484 1.8052 1.6568 1.3967 4.1045 7.2583 2.0764 1.5828 1.4785 1.5886 3.4878 1.2310 1.1300 1.1483 1.6025 1.2301 2.1375 1.4412 3.2922 3.1608 2.8605 2.1461 2.4111 1.9645 1.7013 6.5292 2.0950 3.0788 4.4444 4.1368 1.8122 2.7629 3.5518 3.2832 3.6767 1.8291 1.8348 6.0436 7.7705 1.8589 17.5146 11.3978 18.7829 10.3870 11.3279 10.3533 28.0523 24.6078 6.5242 6.6995 6.6847 6.9997 6.8366 7.2400 7.2897 7.3605 7.2557 7.2667 7.3409 7.3382 7.3979 7.4270 7.4579 7.4750 7.4970 9.6072 1.1275 1.0213 1.4642 0.2643 0.3822 1.6413 1.6831 0.7105 1.1494 1.3508 1.9424 0.6124 0.4427 4.4233 7.9796 1.9812 4.9276 7.2179 0.1540 1.4152 5.1305 4.5274 21.5636 7.0626 0.1082 5.4894 2.3643 8.7219 0.9653 3.4841 2.1388 0.0731 0.1390 4.7749 0.4700 101.9060 75.3284 7.2530 0.3377 30.7450 9.0725 0.6363 0.2978 0.9227 42.2122 4.8545 81.6109 6.0201 8.8409 7.4965 45.8571 20.6749 6.8017 6.2843 5.0542 18.7993 64.5664 46.0912 20.3269 22.3459 4.0797 0.5631 0.2748 4.6557 1.1604 4.4811 11.1103 7.3917 6.2012 1.9997 1.4027 5.6233 11.9313 41.7816 0.1381 3.5769 15.7032 0.3290 75.6303 3.9472 40.1582 0.7241 23.5045 1.8343 7.2726 0.1409 16.5356 6.6951 37.7490 13.8748 0.2935 1.1214 2.7613 34.4641 5.5783 116.7960 23.0493 84.9194 40.2811 20.2513 257.8923 39.8016 0.3924 6.9124 12.5605 145.7220 416.7340 40.9052 113.7089 93.5863 57.1593 8.2583 27.1455 13.1792 35.0465 55.4497 197.5890 6.3422 254.7259 13.5870 54.8593 3.0642 3.0678 6.7550 237.3293 722.0775 63.8579 16.1170 5.1069 47.2848 9.9134 16.0216 0.6318 1.2843 1.7039 0.0857 12.3775 6.7051 21.1855 28.5353 16.4383 15.6006 3.1870 81.4288 2.7091 3.0275 8.0524 0.7217 6.3167 0.5966 2.0514 3.3904 0.3343 2.6653 0.9119 1.9143 1.3896 0.3122 0.1902 1.0388 1.8712 0.5700 2.3282 1.5091 0.1451 0.3898 3.5755 2.3050 3.1168 4.1731 2.9732 5.7514 4.3907 2.6982 0.3756 0.1308 0.5216 0.0609 0.4657 2.0557 8.2952 7.9307 0.3533 3.0963 0.5272 3.9942 1.8546 3.8425 1.7761 4.7584 6.1720 1.7784 6.9701 11.7332 1.3273 4.6751 2.6280 3.2338 10.1227 6.7177 0.3535 2.0603 13.5363 2.4251 44.4247 5.3039 2.4107 0.8685 2.1950 1.3239 0.8332 12.5146 0.8683 0.0933 30.5097 2.3891 4.0850 24.0392 0.5478 11.3815 0.2922 0.2494 3.1038 1.1407 8.3658 0.0669 2.2190 28.5580 2.9277 7.2043 0.3555 48.5044 2.4942 12.9456 4.0070 8.6154 1.5095 8.0561 52.6129 12.2039 94.6529 3.2837 12.8539 50.3926 7.4592 11.5323 0.8522 28.9792 4.8355 0.1753 44.4990 46.7808 6.9289 1.4083 21.9314 0.8862 34.1061 12.1820 15.8807 66.1174 36.6640 12.7125 388.2002 14.1511 128.5410 7.8124 34.3042 32.9757 9.9285 7.3586 117.7645 62.5839 64.8942 147.6226 48.0664 53.8571 34.1709 28.7040 52.2451 39.9621 127.1413 95.8661 44.9634 155.6972 118.4539 212.1929 146.4050 110.5092 0.7469 0.7364 0.7498 0.7500 0.7447 0.7425 0.7240 0.7465 0.6903 0.6516 0.7269 0.5827 0.7375 0.7491 0.5581 0.4669 0.3895 0.7494 0.7234 0.7466 0.7424 0.6856 0.5494 0.7486 0.7500 0.6533 0.3499 0.2029 0.5792 0.6451 0.6176 0.4379 0.2896 0.7418 0.7235 0.4806 0.6922 0.2298 0.6971 0.4794 0.7360 0.4154 0.7296 0.7448 0.6135 0.2013 0.1839 0.7380 0.0687 0.1346 0.5660 0.2759 0.3187 0.7499 0.4520 0.7487 0.7498 0.7182 0.2709 0.6338 0.1794 0.1652 0.7500 0.5300 0.7499 0.7187 0.6822 0.2618 0.6970 0.7272 0.0717 0.2738 0.4856 0.1823 0.6653 0.2327 0.5585 0.5805 0.6902 0.7251 0.7227 0.6777 0.5858 0.5830 0.6773 0.3677 0.5816 0.2948 0.7241 0.5202 0.7103 0.7422 0.7310 0.7290 0.2006 0.5285 0.2728 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0.4286 0.6316 0.3335 0.5001 0.8286 0.7578 0.8569 0.8156 0.7776 0.5262 0.3154 0.2216 0.7495 0.8000 0.5711 0.7790 0.4984 0.6825 0.7938 0.4249 0.5994 0.7569 0.4929 0.8012 0.4625 0.8474 0.6733 0.6160 0.3605 0.3687 0.3110 0.4183 0.0560 0.4948 0.0476 0.7462 0.7943 0.8563 0.8520 0.8546 0.8075 0.8569 0.8044 0.3850 0.2036 0.2370 0.2096 0.4354 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 6 6 6 6 6 6 7 6 7 7 6 16 6 6 8 7 6 6 7 6 8 6 16 6 7 6 6 6 6 6 6 16 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 14.00307 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 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 5576.3001 46907.3162 50111.1689 1.00000 0.00243 -0.00132 -0.00244 0.99999 -0.00280 0.00131 0.00280 1.00000 1 0.01553 0.00185 0.00173 0.32364 0.03847 0.03601 14.38 14.82 22.91 27.50 37.63 51.99 54.73 75.18 93.66 109.40 127.58 157.78 170.58 171.52 190.00 226.64 242.97 273.03 294.81 301.72 338.50 347.40 375.37 403.84 464.90 512.06 543.90 575.66 614.89 635.29 641.15 663.10 675.74 693.51 706.04 783.44 787.85 789.55 836.03 898.75 902.21 928.93 948.02 971.89 980.27 1033.22 1050.95 1080.65 1094.60 1109.61 1110.00 1126.95 1128.98 1175.22 1190.25 1201.52 1231.11 1236.68 1246.97 1262.86 1294.06 1345.52 1373.21 1401.65 1405.24 1441.85 1458.96 1482.00 1517.41 1545.87 1572.77 1591.00 1594.24 1602.38 1605.91 1611.07 1620.39 1631.12 1633.38 1652.18 1679.72 1697.45 1704.32 1753.80 1755.34 1763.22 1785.94 1801.66 1844.36 1849.79 1862.23 1881.48 1921.04 1930.69 1941.61 1974.19 1976.14 2010.36 2023.40 2040.59 2043.88 2058.07 2113.06 2139.34 2157.50 2204.98 2258.74 2261.71 2276.77 2306.07 2325.39 2327.89 2336.78 2340.18 2403.47 2409.53 2422.98 2431.26 2476.00 2539.16 2545.83 2573.16 2591.50 2601.03 2827.33 2898.17 4627.87 4689.97 4709.63 4736.20 4759.06 4802.00 4804.48 4835.68 4841.45 4845.09 4860.57 4861.07 4874.05 4878.54 4886.20 4893.09 4898.86 5592.27 0.401869 0.428624 0.429569 0.336470 -2474.291700 -2474.264944 -2474.264000 -2474.357098 3.122522D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE c1ccc(cc1)n2c(nnc2SCC(=O)N3CCNC3=O)CSc4nc5ccccc5s4 C21464341 RHF 6-31G(d) (6D,10F) C1 482.065339 |X|Y|Z| 155.813859 50.056431 28.600046 60.647220 30 6 7 16 21 6 3 |36.858105| |13.744294|36.858105| |7.940625|13.760696|36.858105| |6.899966|7.957188|13.741978|36.858105| |7.935315|6.860016|7.908497|13.754369|36.858105| |13.749890|7.930046|6.866810|7.963748|13.754747|36.858105| |4.545949|5.150487|7.834776|13.324747|7.820326|5.147194|53.358707| |3.694037|4.108481|5.649540|7.551058|5.625896|4.099690|18.913507|36.858105| |3.026650|3.331615|4.346920|5.348249|4.303324|3.312009|11.918873|14.903324|53.358707| |3.027545|3.336406|4.356717|5.348830|4.296932|3.309495|11.908463|8.909355|19.018352|53.358707| |3.704017|4.131927|5.701901|7.589114|5.620522|4.101048|19.025206|8.879734|12.144088|20.204022|36.858105| |3.663214|4.003657|5.054605|5.962794|4.985891|3.969706|9.480825|4.953266|6.720046|9.487458|10.842399|388.023441| |2.715795|2.928756|3.512622|3.931703|3.458831|2.897523|6.453223|4.015741|6.109415|8.993390|7.081418|74.477274|36.858105| |2.480317|2.629649|3.000984|3.234497|2.969590|2.608575|4.891852|3.086500|4.510638|5.905310|4.700327|50.260104|12.590489|36.858105| |2.633384|2.766188|3.078489|3.261655|3.051133|2.746463|4.681963|2.886974|4.059259|5.107540|4.274149|48.325353|8.004863|15.941532|73.516695| |2.103346|2.214558|2.484189|2.648566|2.465499|2.201346|3.999208|2.641641|3.924864|4.938123|3.685090|33.803907|7.674699|13.820147|15.243009|53.358707| |1.921144|2.001663|2.185714|2.290167|2.172758|1.991747|3.344713|2.221667|3.227940|3.886455|2.938085|26.389231|4.967529|7.758302|12.562001|17.760040|36.858105| |1.687665|1.752274|1.908428|2.003327|1.909271|1.752927|2.949814|2.014543|2.963220|3.492577|2.552564|21.431852|3.983223|5.218398|8.168236|11.123691|12.418414|36.858105| |1.705331|1.789090|1.979519|2.086197|1.957582|1.772883|3.145946|2.180767|3.283766|3.912302|2.768100|22.497750|4.443730|5.368726|7.712752|11.770030|8.245492|13.164287|53.358707| |1.917210|2.026399|2.285627|2.438725|2.256149|2.005827|3.762989|2.581261|3.950644|4.911579|3.445396|28.517613|6.409469|7.637817|9.569802|18.602964|8.080068|8.151804|19.089354|36.858105| |1.947641|2.073396|2.377158|2.559622|2.334858|2.045216|4.073327|2.860017|4.534035|5.730623|3.797861|29.340884|6.778962|6.427550|8.183208|11.209654|5.427888|5.473535|11.357025|15.979969|73.516695| |3.627089|3.953709|5.042775|6.112861|5.072755|3.968379|10.212153|12.757463|10.547196|7.224916|5.291910|25.898754|3.056025|2.490903|4.223025|2.979055|1.893403|1.740116|2.539257|2.150453|4.179487|36.858105| |3.370717|3.366605|3.922700|4.908214|4.917877|3.933130|7.382058|7.009880|7.404580|5.713052|4.210175|22.454161|2.701552|2.264944|3.871642|2.743833|1.767316|1.638639|2.364077|1.976899|3.798997|10.417899|388.023441| |3.115787|3.083253|3.376176|3.834314|3.894166|3.461650|5.279725|4.612660|5.184510|4.225630|3.135916|17.920157|2.191896|1.896593|3.282189|2.330574|1.530512|1.428678|2.046794|1.681786|3.198211|6.797115|76.934153|36.858105| |2.858027|2.740484|2.897445|3.257630|3.457997|3.198532|4.387738|3.638769|4.260465|3.619406|2.698585|16.022076|1.980520|1.743779|3.036373|2.159169|1.432483|1.343037|1.910333|1.555580|2.934782|4.755099|51.447144|15.045691|53.358707| |2.584138|2.496806|2.579441|2.780179|2.900241|2.783480|3.698873|3.019211|3.608043|3.114399|2.317725|14.068768|1.757926|1.567324|2.739445|1.955412|1.308765|1.231886|1.748456|1.411868|2.653219|3.850936|35.025199|8.691146|18.702118|36.858105| |2.295634|2.189075|2.220123|2.370528|2.506079|2.460919|3.135342|2.497659|3.051803|2.698922|2.010823|12.515571|1.580039|1.428019|2.506479|1.794456|1.211810|1.145513|1.617043|1.295209|2.418987|3.021779|26.615553|5.414809|10.527337|13.682504|36.858105| |2.085104|2.008764|2.017440|2.105728|2.192909|2.181343|2.779509|2.199526|2.716588|2.423324|1.802212|11.346197|1.443184|1.313908|2.310176|1.659472|1.126898|1.068178|1.506414|1.199986|2.235983|2.622777|21.676434|4.173203|7.028997|7.992034|13.828843|36.858105| |2.079391|2.041800|2.053349|2.104901|2.144868|2.131542|2.782031|2.215423|2.733696|2.426133|1.799806|11.286922|1.436778|1.305634|2.292909|1.649079|1.118863|1.060132|1.499525|1.194908|2.231011|2.670312|21.007911|4.062465|6.250689|6.886555|7.888964|13.630899|36.858105| |2.281042|2.278931|2.321169|2.369071|2.369860|2.324933|3.143917|2.546524|3.102644|2.707728|2.004826|12.360878|1.563702|1.407250|2.463324|1.768734|1.192222|1.126051|1.600377|1.282756|2.406954|3.177040|24.350065|4.974044|7.112423|7.848356|6.772805|7.888885|13.810293|36.858105| |2.570862|2.558138|2.652214|2.774622|2.788802|2.679821|3.699745|3.055936|3.643409|3.116663|2.309867|13.942369|1.744797|1.552087|2.708687|1.937032|1.295354|1.218823|1.736539|1.402579|2.642843|3.998265|32.350093|7.793631|11.046918|13.690008|7.908812|6.934581|8.030221|13.721790|36.858105| |2.914391|3.009377|3.261773|3.433134|3.291348|3.032671|4.687449|4.079424|4.685858|3.839683|2.829254|16.389048|2.027077|1.766428|3.059721|2.183735|1.441511|1.348763|1.937877|1.583522|3.012325|5.994123|43.564556|10.801978|10.032902|7.428925|4.882559|4.255618|4.690800|6.708561|10.895448|388.023441| |17.721935|8.918546|5.648787|4.966341|5.646651|8.920438|4.924366|3.066482|3.521254|3.522241|3.073354|22.055715|2.393502|2.236095|4.248219|2.619872|1.785773|1.576887|2.153021|1.757115|3.151530|3.063617|20.747901|2.795357|3.577641|2.432357|2.204954|2.028236|2.021206|2.187435|2.418398|18.878186|0.500000| |8.905238|17.727701|8.932097|5.656284|4.946066|5.641262|5.683904|3.506170|4.005900|4.013681|3.527805|24.788592|2.666352|2.439960|4.575413|2.835611|1.905445|1.674192|2.322156|1.913900|3.467109|3.427488|20.716810|2.753818|3.362890|2.306287|2.043933|1.907515|1.960581|2.183682|2.399260|19.804680|0.214821|0.500000| |5.638733|8.885833|17.726598|8.931728|5.640703|4.949639|9.829899|5.625094|6.137142|6.165324|5.705201|35.219936|3.599203|3.043451|5.462192|3.450625|2.217185|1.941168|2.770564|2.357454|4.395627|4.924154|25.732675|3.150135|3.653475|2.425126|2.089381|1.920477|1.978219|2.249984|2.541040|22.511367|0.123995|0.214350|0.500000| |5.638153|4.947408|5.641062|8.936563|17.743907|8.885572|9.797373|5.586610|6.021204|6.001689|5.555551|34.347177|3.493652|2.981966|5.369263|3.399163|2.190993|1.940843|2.711517|2.298894|4.245617|4.980922|38.311139|4.015015|4.943407|2.959469|2.569050|2.214314|2.131885|2.332913|2.768278|22.889561|0.123998|0.107443|0.124341|0.500000| |8.908954|5.641629|4.949806|5.660617|8.935152|17.730457|5.679712|3.496925|3.973558|3.968760|3.493369|24.499451|2.624201|2.409583|4.524020|2.808487|1.889851|1.674851|2.288047|1.883032|3.393385|3.445480|25.815408|3.276159|4.286178|2.750041|2.485463|2.193788|2.108794|2.257850|2.586277|20.047671|0.214903|0.124041|0.107485|0.214449|0.500000| |2.571537|2.836434|3.433971|3.714948|3.173689|2.684807|6.202989|4.034704|6.351155|9.334945|6.648212|56.032136|17.665467|8.865778|11.008134|9.256093|4.560161|3.823006|6.104863|6.498254|13.448557|3.076184|18.741747|2.161675|2.637802|1.733349|1.553110|1.426611|1.431247|1.565664|1.740008|14.495338|0.063187|0.072877|0.101553|0.087562|0.067178|0.500000| |2.554136|2.698380|3.211005|3.707127|3.359844|2.784720|6.238375|4.065169|6.429069|9.525859|6.721992|56.050304|17.664020|8.863267|10.932106|9.390895|4.583239|3.920303|6.077313|6.446552|13.031864|3.092957|20.004736|2.246029|2.772739|1.793700|1.613420|1.465701|1.450787|1.574672|1.765038|14.534135|0.062742|0.067868|0.089920|0.097708|0.071087|0.306317|0.500000| |1.961150|2.014416|2.175118|2.293792|2.217088|2.047557|3.297460|2.170102|3.108495|3.710795|2.858931|26.084879|4.592553|7.050435|13.062794|12.354537|17.669735|8.678969|8.102099|5.980723|7.909360|1.859813|12.514238|1.525149|1.954224|1.309704|1.216788|1.129423|1.116658|1.185600|1.289093|10.141062|0.050833|0.053037|0.060399|0.062429|0.054435|0.112216|0.119813|0.500000| |1.915507|2.014182|2.185288|2.243813|2.110556|1.955395|3.236856|2.143935|3.085939|3.679063|2.808160|25.256705|4.523855|6.764757|11.954428|12.374408|17.598673|8.723986|9.018823|6.432168|8.363024|1.839042|12.080722|1.484959|1.888811|1.274993|1.180684|1.102633|1.099257|1.172623|1.268910|10.045072|0.049674|0.053836|0.062125|0.058293|0.051309|0.120179|0.111373|0.301698|0.500000| |1.637726|1.681633|1.822460|1.931515|1.866720|1.716120|2.836038|1.944774|2.853171|3.331586|2.432261|20.173748|3.649368|4.609044|7.377180|8.942312|8.745053|17.542237|12.315409|6.540658|8.549722|1.689846|11.488201|1.408230|1.812411|1.219475|1.138167|1.059467|1.046910|1.107756|1.199731|9.385777|0.042609|0.044445|0.051002|0.053238|0.045928|0.095001|0.103452|0.221813|0.174910|0.500000| |1.578636|1.641281|1.771542|1.836667|1.750849|1.624830|2.676262|1.836660|2.681719|3.108348|2.276832|18.868523|3.355359|4.242825|6.961445|8.064985|8.720360|17.619254|12.350810|5.968525|7.880144|1.605604|10.739529|1.331535|1.707866|1.158284|1.080618|1.012387|1.006933|1.067604|1.149435|9.006545|0.041250|0.043930|0.050229|0.049121|0.043202|0.091491|0.090464|0.188105|0.222155|0.300652|0.500000| |1.593831|1.668713|1.843174|1.944387|1.829563|1.658608|2.941368|2.074372|3.144064|3.678593|2.555816|20.030254|3.829437|4.307739|6.349689|8.315516|5.820899|8.842066|26.055688|9.433935|13.301967|1.791694|11.925030|1.458222|1.856584|1.251375|1.159731|1.082068|1.077145|1.147871|1.242968|9.834585|0.041166|0.044270|0.052681|0.051917|0.043832|0.109043|0.110015|0.129037|0.138127|0.209010|0.203677|0.500000| |3.060380|3.358635|4.146692|4.669117|3.951565|3.252809|7.752750|9.104002|9.983526|6.657323|4.538408|22.938321|2.846282|2.334345|3.918748|2.842701|1.810612|1.683995|2.478869|2.087273|4.095647|17.651190|56.001265|6.175281|5.996522|3.726462|2.935428|2.592235|2.685290|3.235317|4.011679|44.028119|0.073757|0.083902|0.118070|0.108448|0.080200|0.081374|0.080370|0.049022|0.048948|0.045344|0.043339|0.048977|0.500000| |4.186389|4.704255|6.007505|6.723944|5.416079|4.404858|9.503382|8.952629|7.939218|6.140433|4.799044|24.958811|2.868734|2.387636|4.119980|2.842902|1.827607|1.668868|2.413080|2.029068|3.889925|17.628978|56.094342|6.592239|6.361679|3.936813|3.076494|2.703125|2.795025|3.376184|4.228788|46.362635|0.096992|0.112541|0.160760|0.137191|0.103414|0.080180|0.078765|0.050013|0.049770|0.044879|0.043033|0.047105|0.299552|0.500000| |2.237272|2.104681|2.130351|2.301860|2.477333|2.436216|3.046137|2.400873|2.954961|2.640847|1.970871|12.372961|1.565927|1.421091|2.497616|1.788527|1.210442|1.145573|1.611989|1.288967|2.400775|2.834253|25.603469|4.827786|9.528611|8.916036|17.739220|8.875720|5.607444|4.901547|5.637895|28.855220|0.059849|0.054309|0.055342|0.071695|0.069492|0.042482|0.044633|0.033889|0.032653|0.031746|0.029983|0.032124|0.075635|0.079038|0.500000| 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