Version2.1 2020-12-15T00:42:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 08-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1CCc2c(sc3c2c(nc(n3)CN4CCOCC4)NCc5ccc(cc5)S(=O)(=O)N)C1 C13063271 RHF 6-31G(d) (6D,7F) C[C@H]1CCc2c(sc3c2c(nc(n3)CN4CCOCC4)NCc5ccc(cc5)S(=O)(=O)N)C1 C01[X(C23H29N5O3S2)] 180 C1 561 C[C@H]1CCc2c(C1)sc1c2c(NCc2ccc(cc2)S(=O)(=O)N)nc(n1)CN1CCOCC1 C[C@H]1CCc2c(C1)sc1c2c(NCc2ccc(cc2)S(=O)(=O)N)nc(n1)CN1CCOCC1 C[C@H]1CCc2c(C1)sc3nc(CN4CCOCC4)nc(NCc5ccc(cc5)[S](N)(=O)=O)c23 InChIKey=KUGYQGVEARKLOY-OALUTQOASA-O InChI=1S/C24H27Cl2FN2O4/c1-2-5-24(31)32-15-18(30)13-29(12-17-6-3-4-7-22(17)27)14-19-11-23(28-33-19)16-8-9-20(25)21(26)10-16/h3-4,6-10,18-19,30H,2,5,11-15H2,1H3/p+1/t18-,19-/m0/s1 InChI=1/C23H29N5O3S2/c1-15-2-7-18-19(12-15)32-23-21(18)22(26-20(27-23)14-28-8-10-31-11-9-28)25-13-16-3-5-17(6-4-16)33(24,29)30/h3-6,15H,2,7-14H2,1H3,(H2,24,29,30)(H,25,26,27)/t15-/m0/s1/f/h25H,24H2 C[C@H]1CCc2c(sc3c2c(nc(n3)CN4CCOCC4)NCc5ccc(cc5)S(=O)(=O)N)C1 C01[X(C23H29N5O3S2)] 180 C01 561 C[C@H]1CCc2c(C1)sc1c2c(NCc2ccc(cc2)S(=O)(=O)N)nc(n1)CN1CCOCC1 C[C@H]1CC[C]2=C(C1)S[C]1[C]2[C]([N][C]([N]1)CN1CCOCC1)NC[C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N CCCC(=O)OC[C@@H](O)C[NH](C[C]1[CH][CH][CH][CH][C]1F)C[C@@H]2CC(=NO2)[C]3[CH][CH][C](Cl)[C](Cl)[CH]3 InChIKey=DVNZMIYJJOAFNI-HNNXBMFYSA-N InChI=1S/C23H29N5O3S2/c1-15-2-7-18-19(12-15)32-23-21(18)22(26-20(27-23)14-28-8-10-31-11-9-28)25-13-16-3-5-17(6-4-16)33(24,29)30/h3-6,15H,2,7-14H2,1H3,(H2,24,29,30)(H,25,26,27)/t15-/m0/s1 InChI=1/C23H29N5O3S2/c1-15-2-7-18-19(12-15)32-23-21(18)22(26-20(27-23)14-28-8-10-31-11-9-28)25-13-16-3-5-17(6-4-16)33(24,29)30/h3-6,15H,2,7-14H2,1H3,(H2,24,29,30)(H,25,26,27)/t15-/m0/s1/f/h25H,24H2 3653.1184311207 -2179.6525131 1-A 25100.4711 129 432 561 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15.4336 20.7317 27.9279 34.0406 36.4532 60.8683 71.7897 80.2135 117.5250 130.4981 136.7426 145.8108 158.9124 178.6911 191.7196 223.6440 229.6884 237.9068 244.7064 256.6822 258.0580 276.1223 286.4531 296.2009 309.4872 349.4925 355.9458 364.7676 379.7327 381.2033 402.7661 408.4440 432.3603 452.1588 454.4918 458.3798 480.8137 486.1616 497.3005 507.9493 521.9752 533.4096 545.0662 572.3617 590.8379 613.5111 624.3304 656.6115 662.6766 680.7776 694.7765 700.9238 716.6640 739.7031 765.8618 792.9578 810.2907 817.0616 870.6130 876.7984 896.1412 910.5239 918.6490 945.4118 946.8839 959.8536 970.9190 973.7689 978.3112 982.6635 1002.8575 1015.4961 1036.6363 1054.9212 1071.8142 1073.7002 1102.5184 1109.3599 1115.6128 1116.8271 1120.0580 1122.2811 1138.5120 1169.7833 1189.4195 1195.3160 1205.5126 1207.7572 1211.5635 1219.7619 1229.2804 1254.8510 1260.3785 1261.7449 1269.4876 1273.7699 1284.6744 1291.4080 1302.0485 1304.6685 1310.2607 1319.4350 1327.3006 1350.5387 1363.0718 1373.0845 1388.3557 1391.9678 1412.4917 1426.9137 1445.2118 1456.7458 1459.1948 1463.9925 1470.3575 1472.6664 1477.6536 1496.1291 1507.2704 1517.5344 1525.3720 1537.0600 1550.3876 1556.0508 1565.0056 1567.3219 1568.3371 1588.0370 1589.6256 1608.3331 1629.0615 1636.5222 1639.5235 1641.6076 1644.0168 1644.7990 1648.3633 1653.2404 1658.0273 1663.9336 1665.6740 1677.1164 1682.4225 1732.4949 1768.3771 1773.1428 1790.0476 1798.2473 1813.5121 3123.3794 3135.1971 3168.3788 3180.2595 3185.8927 3186.7027 3187.9567 3195.0787 3195.9823 3201.6108 3220.0907 3229.6524 3235.3033 3242.7460 3245.0437 3259.3332 3264.5940 3266.6758 3270.6545 3281.0997 3285.4416 3303.7189 3373.0396 3379.9167 3407.4505 3417.4876 3756.9829 3870.9646 3902.0770 5.3529 6.7864 4.9837 6.1000 5.2304 3.7983 3.4608 5.0149 3.9378 4.9922 4.3903 4.5666 3.3263 2.9857 1.6398 5.5309 3.8540 3.9069 4.7494 4.3194 3.0292 1.3208 3.3579 2.1545 3.1402 2.9087 3.1831 3.1295 4.6165 3.2331 3.3985 2.8948 4.0623 4.7520 3.0084 1.9795 2.7278 3.1527 2.2518 3.0751 5.3889 2.9085 5.7164 2.7879 4.0478 5.0550 4.4497 3.6439 4.6131 3.0376 3.6296 3.9213 6.6306 3.4873 6.8815 4.2122 2.6385 4.3190 5.4558 4.4335 2.8383 4.5333 2.3130 2.9314 4.9282 1.6545 1.6392 1.2712 1.8334 2.5625 3.4345 4.1049 2.2726 1.9965 3.5578 1.3696 2.8669 1.8604 1.5250 2.0546 1.4149 2.7943 2.0902 2.3670 2.1429 4.0034 2.7284 2.8189 1.6980 3.1712 4.1858 1.3328 1.8072 2.2789 1.9882 1.8845 5.6350 2.4241 3.5230 1.5093 3.5398 2.6938 1.2385 3.5996 2.5433 1.0939 1.5474 1.3086 1.4542 1.4763 1.5420 1.4581 1.8047 1.3291 1.3274 1.2761 1.4929 1.6060 9.3001 1.8263 1.3054 1.6776 1.4996 1.7772 1.5912 1.5943 2.4243 1.3286 1.4958 1.9740 2.2884 2.8559 1.1011 1.1027 1.0829 1.1034 1.0555 1.0523 1.1002 1.1187 1.1171 1.1144 1.1099 2.2253 2.3153 9.2235 1.2362 3.8931 4.9543 7.6854 5.3784 1.0734 1.0737 1.0717 1.0815 1.0685 1.0690 1.0667 1.0489 1.0700 1.0550 1.0715 1.0985 1.0898 1.1039 1.0917 1.1024 1.1028 1.0954 1.0911 1.0965 1.0973 1.0949 1.0916 1.0908 1.0952 1.0942 1.0478 1.1002 1.0775 0.0002 0.0007 0.0007 0.0015 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2.2777 7.2117 9.3532 14.6425 10.4218 6.1696 6.2184 6.3386 6.4448 6.3900 6.3961 6.3876 6.3085 6.4391 6.3717 6.5458 6.7511 6.7209 6.8390 6.7734 6.9003 6.9251 6.8872 6.8768 6.9551 6.9783 7.0412 7.3173 7.3418 7.4921 7.5294 8.7139 9.7127 9.6660 0.4027 2.8461 0.7802 0.4743 0.3411 0.1800 0.1975 0.5238 0.3003 0.5176 1.3372 7.2830 0.4246 5.3171 25.4818 3.7718 4.4998 2.7649 0.9991 0.9336 3.7130 0.5578 0.0934 1.2405 2.5982 0.1797 6.8432 0.7090 6.0355 25.9273 4.8144 14.7504 0.7493 2.7873 42.4457 0.1426 15.5189 3.7095 77.3191 1.2438 7.1654 32.4811 3.1002 2.0092 40.7879 2.5631 43.8705 4.4901 51.0121 56.5429 11.9852 0.4767 1.2781 77.8646 7.0640 13.6480 217.8977 45.6567 3.9040 0.9582 3.1745 11.9415 2.4629 11.4597 18.0725 57.0865 0.6203 6.8029 16.6073 67.7903 218.2380 30.4416 29.5282 3.3659 9.8164 1.0505 4.8971 13.7579 2.4810 18.3622 0.5918 3.1168 2.4848 18.1639 8.5961 3.0482 19.4670 4.1533 1.4651 35.8654 47.9631 4.0131 0.9261 32.8196 16.4027 36.2937 268.5583 95.2049 93.9489 3.5457 3.1499 45.0557 2.8936 26.3483 1.9171 3.2040 3.0079 4.0783 22.1177 11.0393 30.3182 21.6900 4.8888 13.1346 20.0884 18.7316 10.5645 20.3081 222.6534 76.6457 13.3005 108.7539 28.0636 72.2558 11.2412 4.1575 100.9252 2.2743 9.2339 16.6395 48.6877 1.1980 1.6252 3.2039 1.3175 2.0359 2.4665 6.3548 0.8181 8.4126 8.4117 19.3819 0.2665 121.1789 167.1608 614.0650 54.0514 10.4307 501.7867 78.2492 8.6101 40.8140 75.3313 36.1490 3.6868 44.9888 17.1213 27.6292 10.6115 106.4929 90.2547 34.7132 24.8112 31.5761 31.1566 37.2546 70.8480 52.4806 41.1798 46.1335 71.7471 55.4418 7.9114 11.5015 7.6802 1.6802 0.8932 81.7422 67.2285 38.2838 0.3103 1.3669 1.3585 1.6757 0.9560 6.3504 0.4121 0.6659 0.6019 0.6217 1.0037 1.0772 0.5553 0.9026 2.0977 0.1603 0.7789 0.4778 0.9662 4.4223 1.2466 0.1453 0.1101 1.6462 1.0382 0.6074 0.7805 0.5934 3.5892 0.7908 2.0362 1.2774 1.5177 0.1952 4.4071 1.2435 0.2435 2.1744 3.2746 2.8274 1.3668 1.0627 1.9489 2.3353 1.2465 2.3532 1.3237 8.4991 5.0671 1.3660 0.6711 6.7660 7.0489 2.6982 1.5248 0.5893 10.1443 3.3754 2.5402 4.0855 3.6319 10.1531 14.6821 26.6211 7.1340 3.9843 3.9683 1.8481 1.0585 0.3549 5.5257 3.7135 0.3248 5.8822 1.1738 0.8489 10.5964 2.9782 0.9809 3.0194 0.1761 0.9418 1.6152 6.6490 4.0583 2.2270 1.4959 8.1751 0.1211 8.7256 15.2250 4.1095 5.8794 14.6775 4.5753 7.7147 22.3734 12.3192 10.1793 3.9157 59.9345 21.2706 1.9270 21.3216 12.3528 10.5493 4.4165 24.7173 5.8884 17.9689 11.2445 10.9852 34.1548 3.3622 14.9214 24.8788 13.5496 37.9236 2.5526 7.5643 6.5375 1.3607 8.3807 13.5637 1.6446 1.2213 4.6577 0.5143 2.4820 13.6957 15.6273 1.5783 28.7688 5.7254 5.3090 23.8775 22.3664 19.6463 3.7722 15.0055 5.7687 16.8933 10.2894 5.7872 22.6633 199.2473 6.0494 3.0444 188.8987 30.8591 92.0234 37.6482 115.6039 64.8705 127.3818 93.1722 14.2733 62.3053 32.7109 79.8629 161.3559 69.3316 67.1958 108.7277 39.1710 45.4886 83.6234 102.0532 76.3271 83.5202 133.3968 155.4039 62.6334 64.9280 59.2010 75.4433 91.4787 122.5895 67.6393 45.1499 0.7469 0.7470 0.7478 0.7434 0.7224 0.7500 0.6733 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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 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 1.00783 1.00783 1.00783 1.00783 17080.6755 30302.7680 44347.1602 0.99987 0.01577 -0.00123 -0.01576 0.99986 0.00635 0.00133 -0.00633 0.99998 1 0.00507 0.00286 0.00195 0.10566 0.05956 0.04070 11.56 18.95 22.21 29.83 40.18 48.98 52.45 87.58 103.29 115.41 169.09 187.76 196.74 209.79 228.64 257.10 275.84 321.77 330.47 342.29 352.08 369.31 371.29 397.28 412.14 426.17 445.28 502.84 512.13 524.82 546.35 548.47 579.49 587.66 622.07 650.56 653.91 659.51 691.78 699.48 715.50 730.83 751.01 767.46 784.23 823.50 850.08 882.71 898.27 944.72 953.44 979.49 999.63 1008.47 1031.12 1064.27 1101.90 1140.89 1165.83 1175.57 1252.62 1261.52 1289.35 1310.04 1321.73 1360.24 1362.35 1381.02 1396.94 1401.04 1407.57 1413.83 1442.89 1461.07 1491.49 1517.80 1542.10 1544.82 1586.28 1596.12 1605.12 1606.87 1611.51 1614.71 1638.06 1683.06 1711.31 1719.79 1734.46 1737.69 1743.17 1754.97 1768.66 1805.45 1813.40 1815.37 1826.51 1832.67 1848.36 1858.05 1873.36 1877.13 1885.17 1898.37 1909.69 1943.12 1961.16 1975.56 1997.53 2002.73 2032.26 2053.01 2079.34 2095.93 2099.46 2106.36 2115.52 2118.84 2126.01 2152.60 2168.63 2183.39 2194.67 2211.49 2230.66 2238.81 2251.69 2255.03 2256.49 2284.83 2287.12 2314.03 2343.86 2354.59 2358.91 2361.91 2365.37 2366.50 2371.63 2378.64 2385.53 2394.03 2396.53 2413.00 2420.63 2492.67 2544.30 2551.16 2575.48 2587.28 2609.24 4493.85 4510.85 4558.59 4575.68 4583.79 4584.95 4586.76 4597.01 4598.31 4606.40 4632.99 4646.75 4654.88 4665.59 4668.89 4689.45 4697.02 4700.02 4705.74 4720.77 4727.02 4753.31 4853.05 4862.95 4902.56 4917.00 5405.46 5569.45 5614.22 0.549404 0.578141 0.579085 0.483789 -2179.103109 -2179.074372 -2179.073428 -2179.168724 3.196244D-04 MUNgauss RevisionA2.0 retrievium 15-Dec-2020 DUDE C[C@H]1CCc2c(sc3c2c(nc(n3)CN4CCOCC4)NCc5ccc(cc5)S(=O)(=O)N)C1 C13063271 RHF 6-31G(d) (6D,10F) C1 487.171184 |X|Y|Z| 93.862150 123.533105 32.091856 71.926605 28 6 7 8 16 22 4 1 1 |36.858105| |12.466200|36.858105| |8.915942|17.495601|0.500000| |7.513122|12.441771|0.247831|36.858105| |4.884691|7.492781|0.194853|12.432136|36.858105| |4.366838|6.618907|0.173263|7.562074|12.601333|36.858105| |4.946102|7.608778|0.188086|6.782209|7.649712|14.209358|36.858105| |3.553509|4.592067|0.121436|4.187470|4.707855|7.345825|10.864648|388.023441| |3.012710|3.882693|0.105742|3.940238|4.995102|8.065827|7.663103|77.995908|36.858105| |3.280105|4.411118|0.120599|4.865229|7.174590|13.050794|8.210047|52.349485|13.789525|36.858105| |2.737527|3.487013|0.097083|3.962966|5.691233|7.199181|5.131166|34.729281|8.118629|13.432266|36.858105| |2.337432|2.864612|0.079888|3.133215|4.098428|5.025838|4.091150|30.918146|7.192108|8.023520|14.478826|53.358707| |2.269350|2.751457|0.076320|2.891307|3.600482|4.620667|4.109165|35.063971|8.582557|7.098404|8.347866|19.472528|36.858105| |2.492314|3.055890|0.084064|3.104617|3.784921|5.226929|5.018749|50.237825|14.311959|7.886564|6.941929|11.018215|14.563430|53.358707| |1.927693|2.262622|0.062907|2.352665|2.806363|3.381317|3.129973|26.507582|5.270447|4.540348|5.232487|10.724675|12.596079|10.740109|36.858105| |1.798393|2.078657|0.057001|2.197709|2.581604|3.008312|2.776939|22.693321|4.255007|3.871876|4.503918|8.588215|7.744199|7.670086|13.136422|53.358707| |1.585585|1.802220|0.049727|1.892297|2.180469|2.466066|2.303631|18.486113|3.257141|3.028522|3.468931|6.151671|5.094771|5.535914|7.899745|17.856195|36.858105| |1.487299|1.670137|0.045707|1.769725|2.010798|2.223085|2.078275|16.283154|2.777516|2.649275|3.004364|5.024705|3.918226|4.474847|5.090589|10.673367|12.533003|36.858105| |1.500563|1.675535|0.045394|1.770423|1.985285|2.207656|2.095533|16.592904|2.767766|2.596983|2.846751|4.613464|3.691303|4.428645|4.546121|9.214573|7.910637|13.616171|73.516695| |1.668873|1.880283|0.050460|2.001073|2.258967|2.552581|2.416087|19.295083|3.277085|3.046463|3.312590|5.365462|4.362775|5.269973|5.083072|10.669846|6.797940|8.201212|24.184101|36.858105| |1.818902|2.084174|0.056236|2.193373|2.518799|2.958184|2.810272|23.494537|4.196525|3.691430|3.985952|6.830174|6.249354|7.386395|7.867630|17.828823|7.983079|6.798697|14.063793|12.539494|36.858105| |2.686811|3.372129|0.094591|4.034274|5.924880|6.044752|4.296259|26.990382|5.257925|7.833754|14.005601|11.342807|5.426800|6.320369|4.054083|5.073589|3.050125|2.745292|4.577001|2.923182|3.306903|53.358707| |2.253723|2.709200|0.076592|3.148223|4.171943|4.143982|3.246535|21.405866|3.973013|5.057612|7.757399|9.488830|4.690157|5.212094|3.900818|5.057012|3.175484|2.890582|4.657272|2.881793|3.162890|17.856271|36.858105| |2.189299|2.572028|0.072476|3.055132|3.887415|3.554585|2.845778|18.212687|3.153819|3.924572|5.125038|6.176641|3.445609|4.066639|2.994816|4.004706|2.614596|2.476502|4.049767|2.472578|2.609441|10.668156|12.587288|36.858105| |2.221065|2.573168|0.070753|3.144205|3.879175|3.439564|2.779278|17.540481|2.958360|3.652895|4.489009|5.359753|3.113773|3.772612|2.718391|3.745865|2.441117|2.380214|3.983605|2.461273|2.530960|8.643432|7.553707|13.645127|36.858105| |2.086015|2.350398|0.064649|2.849182|3.319319|2.887777|2.412338|15.195907|2.466101|2.951456|3.419917|4.174832|2.542142|3.152900|2.274589|3.143975|2.099441|2.075872|3.500574|2.130387|2.157239|6.045251|5.021492|7.902165|13.828888|36.858105| |1.948701|2.173950|0.060871|2.568732|2.947888|2.579115|2.188483|13.882314|2.228195|2.625779|3.013617|3.739548|2.307052|2.869520|2.094777|2.858196|1.943065|1.908335|3.188897|1.907983|1.942471|5.211484|4.445919|6.873704|7.974196|13.697773|36.858105| |1.926150|2.171284|0.061895|2.517416|2.946954|2.621233|2.216703|14.181153|2.302507|2.714149|3.174250|3.972533|2.425283|2.984856|2.207175|2.960027|2.021798|1.952206|3.215693|1.909116|1.972561|5.547927|5.009739|7.898432|6.866665|7.902050|13.802528|36.858105| |2.033431|2.346745|0.067280|2.718881|3.325676|3.020128|2.496071|16.058389|2.693448|3.237887|3.985498|4.964841|2.912734|3.501452|2.610387|3.452110|2.324917|2.201954|3.583240|2.140036|2.250189|7.382886|7.556896|13.759840|7.949294|6.871837|7.976413|13.713994|36.858105| |1.768784|1.918611|0.053566|2.227818|2.439858|2.144315|1.873614|11.948161|1.864701|2.141853|2.370166|2.984155|1.903444|2.410031|1.756176|2.406460|1.660278|1.648292|2.781890|1.649023|1.660897|3.876024|3.147818|4.197502|4.746202|6.970549|10.780874|6.983062|4.740339|388.023441| |1.687577|1.821766|0.051533|2.074920|2.259985|1.999962|1.763358|11.296645|1.751495|1.994891|2.193095|2.778835|1.787110|2.270489|1.658868|2.247999|1.563437|1.539432|2.586161|1.520709|1.543175|3.538491|2.874479|3.696549|3.835100|4.942055|7.364972|6.578287|4.451360|94.651149|73.516695| |1.859289|1.992057|0.054976|2.341700|2.500629|2.161062|1.899129|11.964948|1.839508|2.113613|2.287451|2.845370|1.832819|2.352897|1.678636|2.304189|1.578225|1.572001|2.689383|1.607670|1.615212|3.694844|2.869401|3.686018|4.378214|6.332837|7.320100|5.029886|3.867013|94.677273|13.577988|73.516695| |1.573875|1.698709|0.047125|1.945705|2.123054|1.920112|1.697208|11.048723|1.728731|1.950792|2.169632|2.803251|1.805393|2.270980|1.697879|2.366952|1.656092|1.672409|2.816904|1.652509|1.636115|3.465798|2.861553|3.661836|4.147736|5.665050|7.061293|5.268581|3.977906|82.125317|13.523342|13.785947|53.358707| |7.537521|12.414144|0.247908|7.606972|6.325467|7.518632|12.663429|47.736488|4.811262|5.043264|3.716670|4.223342|3.104997|4.947990|2.515776|3.111534|1.953750|1.794178|3.233363|2.065257|2.332888|4.574237|2.678715|2.455955|2.440972|2.191384|2.011273|2.017136|2.210260|12.557530|2.971721|3.226608|2.169589|36.858105| |17.548421|8.781660|0.214388|6.799960|4.547975|3.851077|4.087245|21.631314|2.694320|2.976679|2.565620|2.989763|2.105412|3.086999|1.805217|2.302688|1.504003|1.416613|2.527135|1.569544|1.696989|3.517038|2.200951|2.180579|2.217787|2.116311|1.997436|1.969644|2.052855|13.031734|3.125333|3.447938|2.197405|5.480271|0.500000| |17.541709|8.772925|0.211997|5.468807|4.048991|3.860100|4.537719|24.676324|2.861083|3.012626|2.521115|2.985884|2.164262|3.264547|1.857520|2.345601|1.528252|1.428697|2.564829|1.595918|1.745332|3.319257|2.072732|1.996790|2.003815|1.883430|1.775840|1.769915|1.870776|11.524627|2.771254|3.004780|1.978290|6.914289|0.301687|0.500000| |17.530104|8.777170|0.173493|6.833931|4.490952|4.075083|4.611145|24.309674|2.899060|3.125009|2.625448|3.076777|2.204189|3.293211|1.883120|2.421815|1.567954|1.483280|2.682501|1.686005|1.821879|3.500669|2.168353|2.114758|2.181540|2.056872|1.901206|1.855714|1.948189|12.343713|2.917869|3.272178|2.119067|6.769094|0.301483|0.301469|0.500000| |6.998302|8.810048|0.210418|17.541604|8.858225|5.537627|4.946594|24.193941|3.285995|3.997142|3.477068|3.820700|2.564965|3.663265|2.133593|2.734848|1.755769|1.654148|2.926663|1.839756|1.990020|5.034160|3.000030|3.027933|3.146561|2.942078|2.688227|2.612250|2.756481|16.823845|3.930588|4.484198|2.763002|5.515961|0.207729|0.141551|0.174539|0.500000| |6.792026|8.870688|0.174555|17.509707|8.853782|6.598266|6.237943|29.020101|3.801323|4.548152|3.740945|4.109813|2.818514|4.131028|2.312346|2.993477|1.888898|1.786364|3.214896|2.062428|2.236584|5.116634|2.976483|2.898937|3.073603|2.798553|2.476373|2.380582|2.547739|15.416433|3.543644|4.099656|2.612965|7.019247|0.165354|0.139826|0.201999|0.303237|0.500000| |4.482633|6.529025|0.197620|8.840561|17.477281|8.895277|6.101623|29.472883|4.483028|6.253981|5.428495|5.405831|3.435210|4.802558|2.718384|3.362410|2.117146|1.940333|3.359526|2.115631|2.358267|8.168081|4.353357|4.114622|3.917172|3.383229|3.106146|3.196628|3.643177|18.131235|4.273401|4.577138|2.968037|5.278035|0.121567|0.106180|0.110198|0.221497|0.174503|0.500000| |4.075258|5.506902|0.141182|8.872899|17.548647|8.890359|5.833014|29.078652|4.590334|6.610168|5.930069|5.771254|3.595528|4.946721|2.826692|3.633263|2.249327|2.102682|3.688618|2.374500|2.603388|9.249088|4.698368|4.522168|4.760047|3.961331|3.364918|3.272736|3.691897|19.337385|4.367242|4.994211|3.207751|4.898633|0.108180|0.094935|0.109215|0.208455|0.222171|0.302924|0.500000| |1.884327|2.192942|0.061000|2.230904|2.601442|3.156584|3.040808|26.929134|5.017427|4.078539|4.335023|7.864619|8.970615|10.477630|17.489905|12.237223|6.749352|4.538070|7.576607|4.664383|7.198647|4.655848|3.239865|2.583685|2.374669|2.027479|1.882259|1.976101|2.297085|11.404181|2.709559|2.741669|2.109958|2.475096|0.048771|0.050983|0.051146|0.056097|0.060996|0.069905|0.071571|0.500000| |1.839530|2.151117|0.060599|2.237504|2.675234|3.136138|2.869645|23.417220|4.501708|4.115211|4.923766|9.957145|9.037428|8.242509|17.583903|12.580434|7.561391|4.834227|7.208837|4.243468|5.716719|5.463668|4.071513|3.095793|2.731151|2.291207|2.143865|2.299898|2.750679|12.731767|3.032409|3.006262|2.357430|2.343223|0.048303|0.049300|0.049565|0.057084|0.060385|0.073668|0.074791|0.300496|0.500000| |1.527813|1.725600|0.047694|1.786041|2.031567|2.308779|2.201415|17.998084|3.078652|2.791139|3.082637|5.290719|4.558618|5.269724|7.013174|12.242500|17.407493|8.882000|12.484626|5.868164|7.052066|3.672074|2.756112|2.307190|2.161000|1.884805|1.759223|1.830904|2.083673|10.823473|2.565773|2.583304|2.061473|1.883817|0.040166|0.041213|0.041949|0.046010|0.049490|0.054863|0.057497|0.196435|0.184826|0.500000| |1.557404|1.772432|0.049345|1.864343|2.162266|2.415924|2.231886|17.588290|3.108553|2.962211|3.477963|6.207258|4.861467|5.171680|7.249085|12.480911|17.557021|8.902525|10.166752|5.057492|5.730556|4.256278|3.374702|2.757530|2.515548|2.161364|2.024757|2.138504|2.483222|12.232529|2.898004|2.874495|2.336765|1.898007|0.041282|0.041680|0.042519|0.048389|0.051208|0.059160|0.061933|0.166269|0.233237|0.300465|0.500000| |1.374326|1.530385|0.042032|1.611885|1.813075|1.984224|1.868933|14.568384|2.428329|2.322300|2.601435|4.246051|3.287930|3.852845|4.183896|7.690465|8.840805|17.600993|16.911682|5.888413|5.057465|3.286866|2.561967|2.240370|2.150427|1.906974|1.775708|1.821243|2.032120|11.041758|2.595953|2.625999|2.158589|1.634812|0.036499|0.036817|0.038038|0.042126|0.045086|0.048939|0.052409|0.107928|0.114910|0.217251|0.210546|0.500000| |1.511032|1.699972|0.046483|1.825245|2.088240|2.276637|2.093995|16.035874|2.759665|2.711604|3.152979|5.243034|3.864249|4.337018|4.719927|9.559084|8.885689|17.499503|16.551774|7.284589|5.906024|4.022322|3.195490|2.749847|2.656844|2.300371|2.097934|2.137478|2.417947|12.769596|2.957556|3.028714|2.499530|1.806911|0.040149|0.040067|0.041880|0.047602|0.051213|0.056029|0.061469|0.112224|0.127380|0.174000|0.217814|0.300125|0.500000| |1.645534|1.835785|0.048905|1.942030|2.152587|2.426279|2.340050|18.756834|3.061042|2.821216|2.962506|4.608346|3.757862|4.801672|4.176870|7.688775|5.058202|5.890396|16.910968|17.604159|8.845575|3.579875|2.551071|2.235036|2.255202|1.980784|1.774976|1.761736|1.949653|11.047848|2.547222|2.717903|2.118927|2.028704|0.042853|0.043826|0.046528|0.049550|0.056139|0.055605|0.062599|0.111776|0.097976|0.131669|0.110671|0.132288|0.147647|0.500000| |1.713444|1.935806|0.051783|2.097197|2.386421|2.655473|2.461491|19.059670|3.276974|3.167246|3.534112|5.651556|4.310151|5.089932|4.710863|9.548482|5.903059|7.282975|16.548073|17.500196|8.879747|4.344004|3.181856|2.743432|2.776197|2.378571|2.097081|2.078291|2.332394|12.774982|2.913327|3.113613|2.461872|2.101044|0.044944|0.045133|0.048183|0.053734|0.060294|0.061853|0.070984|0.114746|0.112496|0.134488|0.132353|0.147620|0.217347|0.300152|0.500000| |2.012699|2.332477|0.062258|2.468366|2.854395|3.439898|3.268008|27.740212|5.093283|4.372812|4.568867|7.583865|7.075443|8.910618|7.200548|12.440466|5.726966|5.053782|10.165772|8.902636|17.584837|4.979136|3.342276|2.742552|2.689982|2.271461|2.021050|2.038274|2.329151|12.227828|2.825619|2.997670|2.282586|2.653634|0.051711|0.053352|0.056229|0.061320|0.070528|0.072777|0.082066|0.182110|0.144451|0.143139|0.127778|0.110615|0.132207|0.210833|0.217155|0.500000| |1.750585|1.988983|0.053817|2.053567|2.319309|2.732429|2.670432|22.972399|3.910496|3.329535|3.458303|5.740140|5.404347|6.952040|7.002759|12.265435|7.071920|5.878914|12.496375|8.879685|17.417123|3.926497|2.748276|2.303979|2.227420|1.929509|1.759009|1.791980|2.026265|10.828281|2.535739|2.638189|2.039408|2.246543|0.045247|0.047122|0.048671|0.051794|0.058033|0.060614|0.065510|0.212538|0.145396|0.207696|0.143382|0.131839|0.134697|0.217012|0.173889|0.301359|0.500000| |2.981788|3.818123|0.108516|4.747895|7.535979|6.673548|4.552554|26.640401|4.831724|7.308658|9.465754|8.235015|4.456296|5.557632|3.427505|4.282681|2.640163|2.403096|4.052905|2.565459|2.866462|26.109500|9.135892|7.426198|6.251726|4.583946|4.007961|4.256582|5.512017|21.218957|4.867212|5.118344|3.519959|3.634749|0.080513|0.074079|0.078206|0.122571|0.117965|0.229278|0.243405|0.083200|0.094441|0.066119|0.074994|0.059584|0.071195|0.065322|0.077020|0.087938|0.070977|0.500000| |2.091845|2.480527|0.069133|2.847970|3.647424|3.755972|3.035160|20.762804|3.894715|4.697719|7.140114|10.282238|5.041200|5.353555|4.358696|5.954283|3.698374|3.398483|5.377644|3.341621|3.622712|12.576773|17.636296|8.891278|6.754905|4.621345|3.999283|4.311241|5.908756|20.836825|4.708549|4.774654|3.775790|2.506556|0.056362|0.053753|0.056583|0.074777|0.076668|0.101691|0.114080|0.097454|0.125634|0.086355|0.109429|0.082056|0.107506|0.080270|0.105037|0.104913|0.085045|0.181674|0.500000| |2.145131|2.565592|0.073952|2.886854|3.744944|3.794840|3.058508|20.600611|3.792195|4.623363|6.729257|8.968541|4.613709|5.095533|3.959272|4.936331|3.181585|2.825031|4.475000|2.707145|3.011184|12.313150|17.546112|8.883151|5.580878|4.182972|3.992316|4.775626|7.321047|20.807969|4.923342|4.674459|3.630341|2.542095|0.058337|0.055470|0.056778|0.076788|0.074793|0.112115|0.111136|0.091806|0.120556|0.077470|0.096603|0.070501|0.085466|0.066499|0.081069|0.086572|0.074043|0.202185|0.304186|0.500000| |2.306603|2.686720|0.072456|3.325522|4.122648|3.723345|2.988294|18.881957|3.215491|3.994822|4.895998|5.786194|3.360333|4.079376|2.891799|4.055059|2.586486|2.542358|4.319627|2.730044|2.790560|9.090436|7.027345|8.899152|17.724107|8.957083|5.661469|4.949251|5.654014|27.875550|5.714075|6.793358|4.868076|2.592300|0.063173|0.057551|0.063698|0.090328|0.092733|0.110020|0.145709|0.069847|0.078845|0.063238|0.072705|0.062949|0.079125|0.069573|0.087074|0.083807|0.067296|0.174202|0.191867|0.140802|0.500000| |2.058088|2.283110|0.061942|2.777736|3.129716|2.719897|2.309507|14.539192|2.317608|2.734783|3.075988|3.776282|2.352938|2.959108|2.117470|2.958746|1.980200|1.983885|3.393076|2.071476|2.069609|5.197529|4.092367|5.626105|8.926692|17.747725|8.897270|5.636144|4.953876|47.322918|8.076478|12.601386|7.841062|2.128368|0.058083|0.051465|0.057078|0.080076|0.077457|0.086480|0.104073|0.052890|0.058586|0.049629|0.055997|0.050732|0.060920|0.054097|0.064422|0.060724|0.051566|0.109288|0.108592|0.096112|0.215342|0.500000| |1.807631|2.013895|0.057853|2.290665|2.625926|2.355176|2.027632|13.062673|2.090844|2.421297|2.775037|3.521218|2.195434|2.724797|2.024076|2.700758|1.868763|1.802862|2.967787|1.744755|1.802417|4.661431|4.083396|5.627052|4.952195|5.635171|8.941891|17.759824|8.878399|47.406345|13.645693|8.312592|6.906891|1.867176|0.051634|0.046491|0.048204|0.066408|0.059959|0.079674|0.079047|0.050857|0.058937|0.047436|0.055101|0.047181|0.054398|0.044908|0.052245|0.051404|0.045932|0.099509|0.099640|0.113465|0.107520|0.124158|0.500000| |1.969910|2.276007|0.066176|2.571438|3.137168|2.923036|2.443439|15.953367|2.681787|3.173076|3.901094|4.981700|2.946571|3.525920|2.668828|3.459360|2.353228|2.192099|3.531038|2.087813|2.222073|6.895078|6.999857|8.922840|5.645594|4.951462|5.670188|8.935535|17.717582|27.874418|6.950888|5.785930|4.614795|2.158456|0.055132|0.050853|0.052015|0.071947|0.066290|0.097020|0.093395|0.065404|0.079781|0.058912|0.070822|0.056542|0.066226|0.052673|0.062369|0.063332|0.056045|0.141346|0.152586|0.225223|0.124161|0.107541|0.214849|0.500000| |1.535781|1.642387|0.045289|1.879190|2.020448|1.827384|1.628330|10.600188|1.642857|1.842720|2.023549|2.613748|1.700363|2.155329|1.601300|2.241392|1.568871|1.594059|2.708870|1.590944|1.565709|3.187915|2.573591|3.198493|3.681319|4.903614|5.526041|4.221520|3.361394|61.229336|10.812721|13.806017|25.899941|1.541252|0.043811|0.039389|0.042454|0.054574|0.051943|0.057113|0.062248|0.040823|0.045079|0.040009|0.044863|0.042056|0.048462|0.041923|0.048339|0.044651|0.039940|0.066156|0.069871|0.066413|0.091513|0.148921|0.112854|0.080842|0.500000| |1.480519|1.595295|0.044504|1.804886|1.968714|1.799101|1.599655|10.500096|1.641743|1.837669|2.045042|2.670627|1.729184|2.171341|1.641414|2.283300|1.613247|1.627580|2.725486|1.584471|1.570020|3.234596|2.694740|3.374961|3.637131|4.636596|5.876573|4.959122|3.778790|60.733261|13.366612|10.379223|25.908915|1.502707|0.042162|0.038212|0.040544|0.052142|0.049239|0.056496|0.059949|0.041729|0.046828|0.041096|0.046731|0.043162|0.049534|0.041402|0.047896|0.044404|0.040107|0.066717|0.072736|0.071224|0.087567|0.125741|0.141437|0.092323|0.317820|0.500000| |7.110573|8.811882|0.174565|6.633071|5.316557|6.059511|8.934803|42.574598|4.332280|4.418529|3.369582|3.915208|2.905561|4.613264|2.394754|3.022835|1.901847|1.767877|3.226544|2.073387|2.313834|4.169888|2.483941|2.300235|2.330984|2.109043|1.920152|1.900795|2.061752|12.103639|2.845216|3.136151|2.109120|17.497373|0.142545|0.180335|0.209213|0.138731|0.199230|0.121146|0.124076|0.065682|0.061394|0.051021|0.050869|0.044745|0.049405|0.057300|0.058604|0.073529|0.062030|0.090399|0.065656|0.064855|0.069598|0.057678|0.048836|0.055486|0.041890|0.040483|0.500000| 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