Version2.1 2020-12-01T10:20:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)n2c(nnn2)SCCC[NH2+]Cc3ccc(cc3)OCc4ccc(cc4Cl)F C40722839 RHF 6-31G(d) (6D,7F) c1ccc(cc1)n2c(nnn2)SCCC[NH2+]Cc3ccc(cc3)OCc4ccc(cc4Cl)F C01[X(C24H24Cl1F1N5O1S1)] 165 C1 551 Fc1ccc(c(c1)Cl)COc1ccc(cc1)C[NH2+]CCCSc1nnnn1c1ccccc1 Fc1ccc(c(c1)Cl)COc1ccc(cc1)C[NH2+]CCCSc1nnnn1c1ccccc1 Fc1ccc(COc2ccc(C[NH2+]CCCSc3nnnn3c4ccccc4)cc2)c(Cl)c1 InChIKey=GLLZTASAXYPLFL-UHFFFAOYSA-O InChI=1S/C24H23ClFN5OS/c25-23-15-20(26)10-9-19(23)17-32-22-11-7-18(8-12-22)16-27-13-4-14-33-24-28-29-30-31(24)21-5-2-1-3-6-21/h1-3,5-12,15,27H,4,13-14,16-17H2/p+1 InChI=1/C24H23ClFN5OS/c25-23-15-20(26)10-9-19(23)17-32-22-11-7-18(8-12-22)16-27-13-4-14-33-24-28-29-30-31(24)21-5-2-1-3-6-21/h1-3,5-12,15,27H,4,13-14,16-17H2/p+1/fC24H24ClFN5OS/h27H/q+1 c1ccc(cc1)n2c(nnn2)SCCC[NH2+]Cc3ccc(cc3)OCc4ccc(cc4Cl)F C01[X(C24H24Cl1F1N5O1S1)] 165 C01 551 Fc1ccc(c(c1)Cl)COc1ccc(cc1)C[NH2+]CCCSc1nnnn1c1ccccc1 F[C]1[CH][CH][C]([C]([CH]1)Cl)CO[C]1[CH][CH][C]([CH][CH]1)C[NH2]CCCS[C]1[N][N][N][N@@]1[C]1[CH][CH][CH][CH][CH]1 F[C]1[CH][CH][C](CO[C]2[CH][CH][C]([CH][CH]2)C[NH2]CCCS[C]3[N][N][N]N3[C]4[CH][CH][CH][CH][CH]4)[C](Cl)[CH]1 InChIKey=ZOKUREOSWSLVQM-UHFFFAOYSA-N InChI=1S/C24H24ClFN5OS/c25-23-15-20(26)10-9-19(23)17-32-22-11-7-18(8-12-22)16-27-13-4-14-33-24-28-29-30-31(24)21-5-2-1-3-6-21/h1-3,5-12,15H,4,13-14,16-17,27H2 InChI=1/C24H24ClFN5OS/c25-23-15-20(26)10-9-19(23)17-32-22-11-7-18(8-12-22)16-27-13-4-14-33-24-28-29-30-31(24)21-5-2-1-3-6-21/h1-3,5-12,15H,4,13-14,16-17,27H2 3095.2562554254 -2226.0717083 1-A 50083.0904 126 425 551 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.90381 -92.07368 -26.37825 -20.70357 -15.86319 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6.0199 1.3516 2.6736 1.3672 4.4984 2.8246 9.1552 1.3455 3.0496 2.5550 1.6392 4.2105 2.0032 2.3441 1.7284 6.9191 2.5446 2.7480 1.6069 1.1590 7.8854 2.1543 1.1508 1.2530 1.7621 2.7020 2.6816 1.5859 2.4124 1.4791 1.2679 5.5712 1.0632 2.0924 3.3500 1.2874 1.2684 1.2199 1.3527 1.1864 1.3633 1.0913 2.3638 1.3861 1.5303 1.4831 9.5291 2.6454 3.5602 2.0756 1.2350 1.1024 1.0999 1.0943 1.1250 8.4833 3.2490 3.3083 2.4696 5.8761 7.1735 5.7222 5.3207 4.9240 6.2842 1.0862 1.0603 1.0565 1.1077 1.0593 1.1099 1.0592 1.0607 1.1117 1.1114 1.1102 1.0928 1.0930 1.0880 1.0912 1.0940 1.0971 1.0925 1.0986 1.0950 1.0949 1.0935 1.0940 1.0562 1.0960 0.0003 0.0003 0.0005 0.0016 0.0030 0.0024 0.0044 0.0104 0.0108 0.0146 0.0087 0.0139 0.0264 0.0523 0.0285 0.0876 0.0687 0.0332 0.0536 0.1405 0.1644 0.1641 0.1927 0.2406 0.4603 0.5064 0.2979 0.3127 0.4101 0.3976 0.5064 0.6741 0.9177 0.3621 0.3880 0.6746 0.7780 0.4590 0.7627 1.0023 0.9811 1.7118 0.6574 0.9918 1.1956 1.0965 1.7420 1.9221 2.6364 2.2631 1.1992 0.7228 3.9933 1.3819 4.5567 0.4243 2.0393 0.4762 2.0798 0.7138 1.8741 0.6474 0.6758 2.0193 0.6983 1.0203 0.6651 0.8435 2.6759 3.9519 0.9070 0.9440 2.1520 1.0474 0.9314 4.2345 0.9620 1.9229 0.9872 3.2920 2.0811 6.9107 1.0275 2.3515 2.0033 1.2892 3.3441 1.6285 1.9291 1.4236 5.9592 2.1960 2.4244 1.4203 1.0345 7.5489 2.0933 1.1392 1.2479 1.7946 2.7796 2.8407 1.6821 2.7333 1.6790 1.4396 6.5585 1.2580 2.4902 4.1346 1.5977 1.5886 1.5453 1.7318 1.5465 1.8673 1.5066 3.3416 2.0121 2.2458 2.1852 14.1736 3.9570 5.4363 3.2345 1.9258 1.7377 1.7536 1.7644 1.8308 13.9928 5.3999 5.5504 4.2021 10.8169 13.4263 10.8499 10.2298 9.4917 12.2479 2.1385 6.4378 6.4741 6.8981 6.6780 7.0028 6.6970 6.7277 7.2650 7.2927 7.3029 7.2266 7.2368 7.2969 7.3577 7.4132 7.4709 7.4634 7.5109 7.4932 7.5545 7.5499 7.5822 8.3578 8.9773 4.0755 2.5506 2.0551 0.0845 0.5574 1.2418 0.8923 0.9038 3.1211 2.9960 1.4501 2.2626 2.4090 1.3759 0.0792 2.3127 8.8705 5.9595 2.5980 1.0824 1.8319 0.0989 7.1753 1.6567 1.8088 1.7474 4.4313 3.5084 4.2243 2.5080 2.4277 2.5871 3.5692 0.0228 0.3724 7.0780 2.7410 3.4467 0.8947 5.7959 4.9476 3.5665 25.2420 13.8504 14.9412 0.7970 0.1200 1.1276 3.9486 17.6853 0.4167 31.1644 2.5195 1.8873 4.7838 3.9380 18.0376 4.2583 7.4028 47.7640 6.2416 1.8544 1.0134 13.1693 27.1302 126.3111 0.1645 39.6490 88.6066 65.0196 5.7637 1.2533 35.9930 1.2433 0.9080 3.6716 0.2260 1.0136 0.0677 19.7463 6.3284 3.7421 0.0517 43.5865 8.1950 1.7289 12.0257 25.5957 41.1253 3.1355 22.2885 2.8592 5.6949 13.0436 1.8762 63.2004 25.8053 1.0507 120.9068 6.2937 34.3819 0.4380 4.0662 45.2748 7.8143 2.2955 38.8486 5.0307 157.4904 572.8600 71.5388 70.4418 7.9204 1.4743 5.1909 39.6968 0.1726 57.6427 81.4291 333.0425 47.3811 70.3554 0.9419 58.9150 4.1467 17.0359 0.9973 1.2152 10.5760 37.2638 24.7881 71.2010 100.4718 208.4740 38.0430 51.5029 5.1148 15.5463 216.3925 103.3672 34.6244 10.9805 11.3965 10.0404 1.3556 23.9138 5.4185 12.8592 0.0098 3.7606 1.8735 15.0455 13.5948 0.6044 4.1425 16.5178 11.2205 2.5842 4.1472 1.1183 0.8421 3.8198 2.6388 33.2587 55.1442 4.3072 2.9403 4.0851 1.6905 0.3875 7.6727 2.3048 2.1082 0.7307 1.0156 0.7472 0.6563 3.6337 1.6207 0.1343 5.0323 0.2076 0.1483 0.3824 0.2680 1.1996 0.9764 0.7797 3.5015 0.6868 2.0404 1.9884 1.8719 3.0646 4.3553 0.8005 1.7541 5.2664 0.3241 0.4166 2.9085 2.4845 0.0710 3.2804 2.8407 2.1658 3.4965 0.6971 3.3715 2.2849 0.1097 4.8526 7.1053 10.0289 4.2342 0.2942 2.0942 0.6457 2.3297 0.2736 0.0870 8.7221 0.2812 19.7037 0.1282 6.1589 1.4724 4.8670 36.9057 1.0290 6.1226 2.7099 1.5044 13.3713 18.7421 1.2764 1.6032 7.0400 5.0311 0.1660 33.5673 0.3651 3.0869 0.1235 15.6274 13.5157 1.1439 0.1300 3.3325 8.4433 0.1343 36.0581 2.9536 1.9710 0.3990 6.7339 11.3957 4.6854 0.6395 3.8330 14.7597 0.5527 3.6991 23.4154 9.6523 16.8962 20.1721 0.6626 5.4246 1.7138 6.6377 17.7500 9.5461 11.9487 38.6426 21.3626 3.8236 4.0227 1.3546 3.9258 17.8890 5.4489 5.7221 16.7624 17.4920 1.6653 23.5432 2.3563 33.8374 8.0692 20.6453 3.5523 27.6095 6.8036 4.9184 2.9829 1.6510 18.1359 0.9784 10.5769 10.1924 8.1681 55.8452 179.0751 20.7346 19.9481 57.2205 83.9405 49.3884 2.3687 27.6512 21.4050 143.9259 4.4069 15.5011 46.7174 83.9476 73.2358 32.7634 101.7234 55.5617 68.3109 93.3723 231.0625 87.0394 87.6043 77.0709 109.6421 21.8641 12.9559 0.7499 0.7475 0.7497 0.7422 0.7259 0.7341 0.7324 0.7272 0.7319 0.4849 0.5591 0.5605 0.7172 0.7359 0.4859 0.5376 0.5242 0.6067 0.7434 0.6713 0.5661 0.7443 0.2455 0.6574 0.6415 0.4504 0.1812 0.4669 0.7302 0.7364 0.7469 0.6271 0.4992 0.5261 0.7488 0.7348 0.3342 0.6060 0.4398 0.4604 0.6021 0.2074 0.5479 0.2927 0.3006 0.7428 0.7493 0.7279 0.2592 0.2018 0.7307 0.5384 0.6927 0.5359 0.5175 0.7461 0.0916 0.6992 0.3697 0.4570 0.3005 0.1868 0.3697 0.1140 0.1553 0.7442 0.5569 0.7276 0.2856 0.1311 0.6954 0.7437 0.2224 0.5705 0.4603 0.0947 0.5858 0.3203 0.7498 0.1108 0.7469 0.2410 0.4471 0.4230 0.0803 0.7495 0.2136 0.5304 0.7327 0.2524 0.7477 0.7212 0.7450 0.2416 0.7089 0.5156 0.6039 0.5626 0.1920 0.1464 0.3191 0.2240 0.5613 0.1751 0.3525 0.5896 0.1776 0.7396 0.1780 0.2638 0.6127 0.6574 0.7270 0.3810 0.6263 0.4795 0.7488 0.4644 0.4792 0.4789 0.6166 0.5018 0.3498 0.1104 0.3147 0.3149 0.3084 0.6626 0.6456 0.7212 0.5859 0.7275 0.1258 0.7499 0.5435 0.4484 0.7488 0.4825 0.4695 0.6431 0.4539 0.0664 0.0376 0.7500 0.0351 0.7495 0.1586 0.0392 0.7443 0.7468 0.7499 0.3811 0.4312 0.7471 0.7418 0.7428 0.1525 0.4334 0.1112 0.2255 0.3179 0.2107 0.1603 0.0597 0.7499 0.8571 0.8555 0.8569 0.8520 0.8412 0.8467 0.8455 0.8421 0.8452 0.6531 0.7172 0.7184 0.8353 0.8479 0.6540 0.6993 0.6878 0.7552 0.8528 0.8033 0.7229 0.8534 0.3942 0.7933 0.7816 0.6211 0.3068 0.6366 0.8440 0.8482 0.8551 0.7708 0.6659 0.6895 0.8564 0.8472 0.5010 0.7547 0.6109 0.6305 0.7517 0.3435 0.7080 0.4529 0.4622 0.8524 0.8567 0.8425 0.4116 0.3359 0.8444 0.6999 0.8184 0.6978 0.6820 0.8546 0.1679 0.8230 0.5398 0.6274 0.4621 0.3148 0.5398 0.2047 0.2688 0.8534 0.7154 0.8423 0.4443 0.2318 0.8203 0.8530 0.3639 0.7265 0.6304 0.1730 0.7388 0.4852 0.8570 0.1996 0.8551 0.3884 0.6179 0.5946 0.1486 0.8568 0.3520 0.6931 0.8457 0.4030 0.8557 0.8380 0.8539 0.3892 0.8296 0.6804 0.7531 0.7200 0.3222 0.2553 0.4839 0.3660 0.7190 0.2980 0.5213 0.7418 0.3016 0.8503 0.3022 0.4175 0.7599 0.7933 0.8419 0.5518 0.7702 0.6482 0.8564 0.6343 0.6479 0.6477 0.7628 0.6683 0.5184 0.1989 0.4788 0.4789 0.4714 0.7971 0.7846 0.8380 0.7389 0.8423 0.2235 0.8571 0.7043 0.6192 0.8564 0.6509 0.6390 0.7828 0.6243 0.1246 0.0726 0.8571 0.0678 0.8568 0.2738 0.0754 0.8534 0.8551 0.8571 0.5519 0.6026 0.8552 0.8518 0.8524 0.2647 0.6047 0.2001 0.3680 0.4824 0.3480 0.2764 0.1128 0.8571 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 51 52 53 54 55 56 57 6 6 6 6 6 6 7 6 7 7 7 16 6 6 6 7 1 1 6 6 6 6 6 6 6 8 6 6 6 6 6 6 6 17 9 1 1 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 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 14.00307 31.97207 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 18.99840 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 6768.2638 91576.9132 94397.9872 0.99999 0.00534 0.00096 -0.00533 0.99998 -0.00210 -0.00097 0.00209 1.00000 1 0.01280 0.00095 0.00092 0.26665 0.01971 0.01912 11.21 11.88 14.78 30.73 37.59 45.04 58.29 73.76 79.02 104.23 108.92 122.71 133.43 170.05 197.78 206.21 223.66 225.19 257.41 286.33 288.71 301.78 344.30 367.15 378.97 452.70 509.97 511.90 528.56 546.40 579.22 615.73 640.55 659.01 667.94 689.81 702.43 719.77 726.63 770.22 819.90 824.93 866.40 890.60 931.66 941.13 969.53 1005.09 1084.92 1095.78 1102.21 1103.64 1135.98 1142.16 1163.32 1170.04 1196.59 1218.33 1221.92 1241.10 1258.47 1334.91 1340.69 1346.49 1346.84 1361.99 1370.34 1427.05 1429.30 1434.79 1512.57 1516.06 1530.86 1556.39 1563.82 1572.08 1581.33 1589.64 1592.75 1603.50 1608.94 1628.52 1638.03 1645.98 1659.77 1662.28 1670.48 1690.09 1700.42 1701.12 1739.56 1741.29 1760.61 1762.26 1770.88 1834.00 1847.69 1865.03 1870.61 1891.63 1901.14 1929.22 1930.43 1995.22 1997.06 1997.27 2033.75 2038.98 2044.89 2082.37 2088.17 2097.69 2109.70 2120.83 2140.12 2193.77 2202.42 2228.61 2258.37 2270.77 2275.24 2286.03 2292.45 2316.26 2339.90 2340.68 2353.32 2366.74 2380.11 2391.16 2407.34 2416.48 2427.89 2445.05 2543.18 2564.37 2581.08 2599.07 2602.45 2616.82 2630.08 4618.84 4640.06 4677.69 4706.44 4708.27 4713.20 4720.74 4791.67 4801.54 4807.54 4820.20 4823.08 4854.24 4867.28 4879.41 4891.42 4899.25 4901.17 4903.39 4923.65 4925.14 4934.69 5272.93 5364.53 0.487320 0.515776 0.516720 0.418496 -2225.584388 -2225.555933 -2225.554988 -2225.653212 3.294449D-04 MUNgauss RevisionA2.0 retrievium 01-Dec-2020 DUDE c1ccc(cc1)n2c(nnn2)SCCC[NH2+]Cc3ccc(cc3)OCc4ccc(cc4Cl)F C40722839 RHF 6-31G(d) (6D,10F) C1 484.137413 |X|Y|Z| 52.266438 34.827878 214.798320 73.124055 31 6 7 8 16 24 5 1 1 |36.858105| |13.734343|36.858105| |7.932902|13.770628|36.858105| |6.920200|7.985885|13.758860|36.858105| |7.936790|6.860212|7.891967|13.768951|36.858105| |13.755003|7.927770|6.855038|7.979792|13.749470|36.858105| |4.556202|5.166401|7.862126|13.337309|7.835668|5.155568|53.358707| |3.689406|3.999630|5.387901|7.567513|5.937279|4.209246|19.440038|36.858105| |3.034480|3.309642|4.297061|5.381398|4.399517|3.354950|12.137490|14.740963|53.358707| |3.098179|3.468100|4.597580|5.532962|4.324979|3.344538|12.436981|9.079789|19.334053|53.358707| |3.798488|4.383056|6.269744|7.875099|5.487321|4.084762|19.372704|8.884589|12.130919|20.801896|53.358707| |3.528134|3.618301|4.416520|5.749338|5.399680|4.105328|9.428915|10.869960|9.542737|6.802410|6.734865|388.023441| |2.647104|2.736861|3.237202|3.867355|3.625675|2.961119|6.481458|7.085055|9.097068|6.192728|5.487831|74.461379|36.858105| |2.383726|2.413834|2.733829|3.151377|3.083694|2.646214|4.864705|4.668205|5.923109|4.539569|4.191805|49.526590|12.454739|36.858105| |2.012947|2.049408|2.297559|2.582155|2.510075|2.197039|3.989013|3.674141|5.031436|4.003177|3.618067|32.910401|7.619582|12.487009|36.858105| |1.832812|1.845584|2.020642|2.231046|2.207879|1.986044|3.326471|2.925397|3.927610|3.267660|3.028909|25.906843|4.962543|7.634182|12.703940|53.358707| |1.857195|1.874576|2.040350|2.226209|2.195962|1.994579|3.274591|2.849459|3.762199|3.155467|2.960650|25.559136|4.648918|7.099971|9.189216|25.675855|0.500000| |1.845806|1.834672|1.992506|2.216463|2.235395|2.019895|3.266201|2.847379|3.764880|3.152292|2.953634|25.556009|4.648823|7.100698|9.191768|25.676299|0.330384|0.500000| |1.606078|1.622745|1.765999|1.924036|1.896186|1.722787|2.863691|2.461440|3.391113|2.898191|2.673372|20.499505|3.768787|4.897062|7.456474|17.047126|0.255653|0.255518|36.858105| |1.491780|1.496385|1.604393|1.730680|1.723110|1.592074|2.524185|2.120598|2.879566|2.511543|2.355274|17.596553|3.023495|3.832559|4.945335|10.457150|0.200549|0.200582|12.710331|36.858105| |1.432478|1.422946|1.514541|1.639340|1.653618|1.536956|2.372223|1.972800|2.667488|2.347693|2.215787|16.275767|2.716809|3.367048|4.092333|7.865694|0.146686|0.174832|7.567223|13.630946|36.858105| |1.338016|1.324561|1.395934|1.497981|1.517085|1.427247|2.141408|1.754155|2.358099|2.103269|2.004055|14.344193|2.312641|2.793208|3.215406|5.768273|0.114734|0.126848|5.036984|7.906479|13.876908|36.858105| |1.296802|1.289198|1.353556|1.437831|1.447824|1.370525|2.044759|1.664510|2.232780|2.002578|1.915552|13.558266|2.160654|2.586865|2.934024|5.171616|0.108594|0.108612|4.438932|6.820756|7.929648|13.623186|36.858105| |1.338729|1.341455|1.414767|1.496302|1.491844|1.407455|2.136775|1.747861|2.349432|2.098675|2.000982|14.270172|2.301524|2.775265|3.198578|5.725110|0.125486|0.113786|5.025103|7.881252|6.865774|7.906596|13.703838|36.858105| |1.434555|1.445094|1.540074|1.638971|1.622990|1.513852|2.368945|1.966811|2.659095|2.344455|2.214335|16.195371|2.704840|3.345048|4.073183|7.801678|0.172272|0.145430|7.592057|13.747181|7.965321|6.896130|7.943744|13.746207|36.858105| |1.213723|1.202859|1.253595|1.324521|1.338503|1.277865|1.868651|1.504460|2.013260|1.823761|1.755425|12.138194|1.892981|2.218678|2.446901|4.118554|0.086568|0.086988|3.389480|4.621425|5.323253|8.240345|14.299606|7.896640|5.220623|73.516695| |1.163736|1.157069|1.201276|1.258486|1.266466|1.215636|1.767699|1.413713|1.890534|1.723356|1.664496|11.326860|1.747514|2.021600|2.201372|3.614200|0.077383|0.074766|2.924046|3.778672|3.985418|5.249761|8.002444|6.707617|4.510086|24.008275|36.858105| |1.086816|1.076708|1.111351|1.161171|1.173328|1.133334|1.621878|1.286223|1.718357|1.578597|1.531545|10.218721|1.554089|1.770332|1.897791|3.034448|0.064259|0.063330|2.408644|2.969010|3.195765|4.074399|5.223129|4.402843|3.340970|14.214836|12.608831|36.858105| |1.065677|1.050950|1.083233|1.135894|1.154074|1.115727|1.585004|1.254723|1.676251|1.542521|1.497845|9.947275|1.507485|1.710548|1.826790|2.901996|0.060528|0.061443|2.292759|2.794677|3.128948|4.034231|4.705333|3.767923|2.996668|12.428986|7.495517|13.722722|36.858105| |1.001551|0.986068|1.012102|1.058053|1.076812|1.046016|1.470539|1.156444|1.544671|1.430408|1.393560|9.099337|1.365326|1.530431|1.618026|2.521783|0.052439|0.053339|1.969138|2.327098|2.572195|3.157195|3.509162|2.962059|2.461209|8.244252|4.991873|7.876347|13.764579|36.858105| |0.962451|0.949662|0.972315|1.011002|1.026025|0.999932|1.401599|1.097802|1.466127|1.362895|1.330513|8.599723|1.283572|1.429346|1.503639|2.321274|0.048600|0.048645|1.802981|2.100977|2.259353|2.692721|3.036156|2.689069|2.254608|6.846404|4.450783|6.878242|8.023990|13.844947|36.858105| |0.975770|0.966361|0.990135|1.026139|1.036927|1.010204|1.423181|1.115577|1.489861|1.383957|1.350553|8.746750|1.307646|1.458362|1.536501|2.377007|0.050244|0.049349|1.849149|2.160620|2.271841|2.688101|3.140100|2.874011|2.377032|7.045269|5.014065|7.852479|6.876666|7.910063|13.825092|36.858105| |1.035062|1.027380|1.056646|1.097036|1.105852|1.072997|1.526703|1.203490|1.607499|1.485251|1.445303|9.496099|1.431625|1.612595|1.712923|2.689367|0.057251|0.055614|2.111015|2.521862|2.633348|3.178136|3.919440|3.593595|2.849832|9.196916|7.581497|13.701945|8.015106|6.912239|8.054988|13.797792|36.858105| |1.043663|1.041982|1.072359|1.106776|1.108182|1.075406|1.540562|1.213673|1.622061|1.500003|1.459616|9.557854|1.441151|1.618592|1.718358|2.682386|0.057884|0.054552|2.100390|2.476367|2.477390|2.874541|3.591218|3.603472|2.892172|7.652396|6.303447|7.002379|4.768406|4.231868|4.806705|7.095149|10.911781|448.794386| |0.910674|0.897519|0.916220|0.950694|0.965962|0.944490|1.314529|1.024690|1.368737|1.278326|1.250798|7.980148|1.183360|1.306485|1.365975|2.083108|0.043465|0.043652|1.607022|1.839429|1.969845|2.294023|2.517772|2.266662|1.950542|5.431864|3.400025|4.654931|5.317381|8.174826|14.400843|8.201766|5.336765|30.550591|97.533100| |17.728649|8.917179|5.647171|4.977347|5.647712|8.923811|4.933591|3.061751|3.527892|3.594144|4.274786|21.319123|2.333148|2.147741|1.838034|2.310922|0.047937|0.047634|1.499055|1.405928|1.356077|1.276034|1.240870|1.277295|1.358603|2.076693|1.123868|1.054586|1.035120|0.976387|0.940446|0.952965|1.007591|8.153629|2.007472|0.500000| |8.906156|17.733868|8.942265|5.669696|4.946673|5.641905|5.697891|3.387026|3.961408|4.180585|5.118820|22.031586|2.445048|2.187640|1.888343|2.335995|0.048638|0.047203|1.523563|1.412991|1.341990|1.255660|1.229246|1.281653|1.374776|2.046595|1.113368|1.038429|1.011576|0.951393|0.919616|0.937623|0.995178|8.132147|1.958928|0.214909|0.500000| |5.634535|8.882449|17.742496|8.929549|5.634545|4.944759|9.858608|5.195292|5.982788|6.636620|8.931541|29.205888|3.174486|2.659998|2.273377|2.708715|0.055903|0.053919|1.753709|1.587153|1.488097|1.370307|1.334097|1.402331|1.530658|2.194215|1.186622|1.095932|1.064808|0.994479|0.957416|0.977522|1.044210|8.545057|2.029342|0.123955|0.214318|0.500000| |5.639907|4.946813|5.629767|8.916757|17.730106|8.888902|9.785711|6.139610|6.241255|5.912537|7.080768|41.270950|3.905902|3.307728|2.672764|3.180506|0.063752|0.066427|1.995730|1.805265|1.744234|1.591344|1.504418|1.541027|1.680848|2.465500|1.302870|1.206208|1.191279|1.109720|1.052636|1.060209|1.131256|9.049957|2.227472|0.124048|0.107443|0.124170|0.500000| |8.910647|5.640493|4.943873|5.667063|8.932880|17.732433|5.685406|3.618215|4.037042|3.978669|4.679010|26.146525|2.744197|2.516583|2.105116|2.626517|0.053717|0.055098|1.678480|1.564320|1.524558|1.422558|1.361961|1.388443|1.484307|2.266753|1.210518|1.133296|1.120512|1.052930|1.005020|1.011919|1.071967|8.582351|2.139398|0.214950|0.124058|0.107405|0.214612|0.500000| |2.508804|2.571638|3.031867|3.668624|3.495294|2.836652|6.276878|6.735844|9.647111|6.501533|5.549984|56.544925|17.632055|8.788302|6.923281|6.253385|0.114313|0.122593|3.659311|2.921691|2.680063|2.270599|2.091581|2.196891|2.567181|3.267168|1.685952|1.507769|1.473686|1.338302|1.254075|1.270760|1.385781|11.118126|2.607669|0.061611|0.063801|0.082375|0.107651|0.073774|0.500000| |2.540001|2.695840|3.225992|3.716648|3.337169|2.761438|6.340519|6.762685|9.592580|6.529575|5.599509|56.563770|17.629440|8.789481|6.924406|6.255010|0.122630|0.114334|3.660416|2.922130|2.575488|2.205744|2.091757|2.261188|2.670213|3.261598|1.710657|1.518346|1.463072|1.326311|1.253532|1.283570|1.406784|11.472663|2.601248|0.062328|0.067842|0.090812|0.096446|0.070276|0.302848|0.500000| |2.437928|2.481717|2.783666|3.130819|3.041048|2.661597|4.687820|4.346568|5.357809|4.231622|4.001480|46.660015|8.833458|17.535524|8.851674|9.495886|0.211927|0.176002|4.572865|3.756280|3.242730|2.752903|2.618211|2.861032|3.431459|4.004485|2.078996|1.812446|1.734006|1.549634|1.455511|1.495473|1.659782|13.510964|2.987923|0.061273|0.062905|0.075467|0.088180|0.069996|0.172995|0.210940|0.500000| |2.410015|2.383322|2.655438|3.101500|3.159258|2.728689|4.661246|4.338742|5.366617|4.223489|3.982798|46.640059|8.832623|17.534753|8.852169|9.493587|0.175943|0.211891|4.571666|3.756043|3.460631|2.883036|2.618205|2.734012|3.220536|4.015283|2.035171|1.794634|1.751954|1.569029|1.456463|1.475362|1.625610|12.941322|2.997880|0.060586|0.059630|0.070393|0.096515|0.073455|0.210892|0.172994|0.301951|0.500000| |1.938172|1.964522|2.204211|2.499348|2.446374|2.130660|3.901419|3.580525|5.056988|4.041886|3.601881|30.424198|6.885645|8.770577|17.622341|12.432601|0.180668|0.220401|6.942389|4.632355|4.044340|3.147891|2.800291|2.969632|3.699873|4.183903|2.099118|1.828147|1.779953|1.583238|1.464962|1.485859|1.646144|13.124845|3.004980|0.049179|0.050189|0.060466|0.073369|0.057003|0.205280|0.169813|0.172887|0.210980|0.500000| |1.952688|2.018720|2.276179|2.514830|2.390286|2.098278|3.917433|3.585465|5.050634|4.049700|3.616172|30.432915|6.887911|8.771166|17.622274|12.433461|0.220337|0.180699|6.945063|4.631848|3.706825|2.979970|2.799882|3.134258|4.030117|4.171135|2.147121|1.846820|1.760936|1.563148|1.463866|1.506306|1.681548|13.719835|2.994703|0.049546|0.052101|0.063602|0.069500|0.055339|0.169865|0.205406|0.210938|0.172896|0.301503|0.500000| |1.575780|1.588321|1.733006|1.901707|1.880457|1.700006|2.851772|2.453353|3.428279|2.934690|2.685637|20.036493|3.711921|4.606354|6.971544|12.390253|0.181175|0.221161|17.629441|8.818995|7.058048|4.701308|3.953262|4.191914|5.650068|5.542501|2.671245|2.253070|2.185278|1.894894|1.727132|1.752342|1.976389|15.583342|3.487265|0.040804|0.041315|0.047735|0.055447|0.046120|0.104677|0.098939|0.113670|0.122680|0.213573|0.174348|0.500000| |1.583502|1.616477|1.767160|1.908235|1.854418|1.683331|2.857361|2.454230|3.424894|2.936606|2.690801|20.035028|3.710619|4.605045|6.964650|12.388154|0.221413|0.181119|17.633235|8.823229|5.617495|4.193000|3.954973|4.702658|7.108908|5.516222|2.774039|2.289448|2.151278|1.861413|1.725975|1.786891|2.039523|16.616852|3.472374|0.041013|0.042361|0.049227|0.053711|0.045224|0.098863|0.104672|0.122710|0.113622|0.174041|0.213412|0.301081|0.500000| |1.453306|1.438235|1.534625|1.675160|1.698979|1.571214|2.434816|2.031055|2.756420|2.420689|2.277318|16.701386|2.803863|3.443779|4.189014|7.665683|0.134375|0.180041|6.978695|8.851264|17.682867|9.007449|5.649290|4.945938|5.646646|7.651864|3.333898|2.806433|2.823633|2.380768|2.089295|2.072210|2.349471|17.626156|4.157350|0.038133|0.037517|0.041741|0.050226|0.043421|0.078513|0.072753|0.089216|0.100597|0.120880|0.102424|0.210789|0.142286|0.500000| |1.291080|1.271592|1.334241|1.432830|1.460520|1.379876|2.039116|1.658650|2.227255|1.999575|1.912268|13.466179|2.137685|2.536761|2.852851|4.895479|0.096387|0.109568|4.095061|5.621683|8.918366|17.750348|8.937093|5.647985|4.966885|13.532851|4.868623|4.095623|4.349007|3.412673|2.821525|2.732853|3.158341|22.082943|5.422692|0.034310|0.033484|0.036269|0.042672|0.038413|0.058856|0.056330|0.068947|0.073769|0.078955|0.073107|0.111241|0.096484|0.216086|0.500000| |1.294978|1.301391|1.367255|1.434078|1.424783|1.351590|2.038086|1.654700|2.221949|1.998864|1.913139|13.404560|2.131001|2.524485|2.847213|4.877659|0.108792|0.095798|4.110875|5.640580|4.953464|5.618826|8.855864|17.780157|8.963199|12.486415|7.415689|4.684237|3.774283|2.990697|2.792106|3.084544|3.965754|34.042136|5.264344|0.034433|0.034715|0.037763|0.040612|0.036982|0.056206|0.058745|0.073289|0.068521|0.073081|0.078950|0.096932|0.112169|0.107494|0.123948|0.500000| |1.457068|1.479767|1.582904|1.674169|1.640787|1.527787|2.427930|2.018850|2.739006|2.413623|2.273929|16.542797|2.779308|3.400551|4.149408|7.554202|0.175187|0.132518|7.002774|8.897643|5.644174|4.961848|5.661489|8.982072|17.685554|7.484516|3.915656|2.988532|2.655792|2.229425|2.083394|2.220955|2.641306|22.287383|4.095191|0.038261|0.039225|0.043991|0.046877|0.041335|0.072286|0.077910|0.098946|0.088107|0.101969|0.119965|0.143327|0.213596|0.123756|0.107727|0.218670|0.500000| |1.134484|1.133660|1.180619|1.234025|1.234559|1.181799|1.740947|1.393227|1.875109|1.712039|1.647389|11.075980|1.721750|1.977154|2.178801|3.547945|0.075723|0.072040|2.938630|3.763277|3.827263|4.803857|7.132478|6.820743|4.625506|16.556398|17.576100|8.890859|5.887364|4.304527|4.004724|4.612455|6.752414|52.024573|7.079935|0.030390|0.030356|0.032536|0.035213|0.032568|0.046199|0.047220|0.056380|0.054665|0.057802|0.059837|0.074545|0.079119|0.088939|0.120851|0.226902|0.114371|0.500000| |1.211195|1.204524|1.248162|1.304255|1.311960|1.262342|1.825120|1.459258|1.939865|1.765216|1.710496|11.777623|1.805704|2.101977|2.262260|3.726841|0.081603|0.076854|2.937959|3.757308|3.816702|4.789453|7.120784|6.818268|4.619297|16.560868|17.578539|8.892752|5.855709|4.291548|4.003989|4.626676|6.798285|52.772554|7.078977|0.032515|0.032223|0.034232|0.037370|0.034885|0.047937|0.049135|0.060888|0.058651|0.059085|0.061370|0.073258|0.077810|0.088593|0.120335|0.226788|0.114092|0.301373|0.500000| |1.099835|1.082588|1.118616|1.179100|1.201032|1.157191|1.649766|1.310985|1.752362|1.606916|1.557092|10.430654|1.589625|1.814436|1.948609|3.123866|0.064502|0.066889|2.482453|3.067965|3.576052|4.814904|5.354953|4.004380|3.202202|14.434012|6.945351|8.953091|17.782663|8.967341|5.696877|4.959011|5.685473|31.550688|9.633272|0.029608|0.028848|0.030486|0.034592|0.032323|0.043344|0.042618|0.050720|0.051964|0.053053|0.051723|0.066212|0.063706|0.089961|0.153031|0.106353|0.077105|0.152276|0.151020|0.500000| |0.983068|0.965312|0.989780|1.036569|1.058259|1.028846|1.439586|1.130032|1.509803|1.400707|1.365648|8.867785|1.326698|1.480742|1.560659|2.415859|0.049847|0.051399|1.878824|2.195194|2.454504|2.977125|3.172525|2.671493|2.273401|7.151897|4.062576|5.609223|8.862761|17.750673|8.967502|5.648309|4.975143|27.434056|16.688826|0.026643|0.025847|0.026968|0.030362|0.028844|0.036292|0.035686|0.041418|0.042379|0.042698|0.041711|0.050742|0.049124|0.064268|0.091471|0.073609|0.057202|0.099426|0.099061|0.214331|0.500000| 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