Version2.1 2021-01-18T06:40:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COCCNC(=O)c1c2c(sc1NC(=O)CSc3nnc(o3)c4ccccc4)CCCC2 C18423644 RHF 6-31G(d) (6D,7F) COCCNC(=O)c1c2c(sc1NC(=O)CSc3nnc(o3)c4ccccc4)CCCC2 C01[X(C22H24N4O4S2)] 162 C1 536 COCCNC(=O)c1c(NC(=O)CSc2nnc(o2)c2ccccc2)sc2c1CCCC2 COCCNC(=O)c1c(NC(=O)CSc2nnc(o2)c2ccccc2)sc2c1CCCC2 COCCNC(=O)c1c(NC(=O)CSc2oc(nn2)c3ccccc3)sc4CCCCc14 InChIKey=YIQYKGWFQRJYNV-UHFFFAOYSA-N InChI=1S/C22H24N4O4S2/c1-29-12-11-23-19(28)18-15-9-5-6-10-16(15)32-21(18)24-17(27)13-31-22-26-25-20(30-22)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13H2,1H3,(H,23,28)(H,24,27) InChI=1/C22H24N4O4S2/c1-29-12-11-23-19(28)18-15-9-5-6-10-16(15)32-21(18)24-17(27)13-31-22-26-25-20(30-22)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13H2,1H3,(H,23,28)(H,24,27)/f/h23-24H COCCNC(=O)c1c2c(sc1NC(=O)CSc3nnc(o3)c4ccccc4)CCCC2 C01[X(C22H24N4O4S2)] 162 C01 536 COCCNC(=O)c1c(NC(=O)CSc2nnc(o2)c2ccccc2)sc2c1CCCC2 COCCNC(=O)[C]1[C](SC2=[C]1CCCC2)NC(=O)CSc1nnc(o1)[C]1[CH][CH][CH][CH][CH]1 COCCNC(=O)[C]1[C](NC(=O)CSc2oc(nn2)[C]3[CH][CH][CH][CH][CH]3)SC4=C1CCCC4 InChIKey=YIQYKGWFQRJYNV-UHFFFAOYSA-N InChI=1S/C22H24N4O4S2/c1-29-12-11-23-19(28)18-15-9-5-6-10-16(15)32-21(18)24-17(27)13-31-22-26-25-20(30-22)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13H2,1H3,(H,23,28)(H,24,27) InChI=1/C22H24N4O4S2/c1-29-12-11-23-19(28)18-15-9-5-6-10-16(15)32-21(18)24-17(27)13-31-22-26-25-20(30-22)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13H2,1H3,(H,23,28)(H,24,27)/f/h23-24H 3280.8477372663 -2159.3511896 1-A 31801.2966 124 412 536 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97654 -91.97056 -20.66399 -20.57814 -20.55367 -20.52855 -15.61110 -15.59206 -15.59135 -15.58491 -11.37665 -11.36412 -11.35935 -11.34408 -11.32624 -11.28769 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1.7361 3.5330 1.8830 2.3160 2.3238 2.9315 3.4857 1.1570 3.5667 1.3121 1.1771 1.1346 2.0377 1.3786 1.7408 1.5012 4.7535 2.8095 1.7983 1.3223 1.2946 1.3414 1.3837 1.7690 2.3230 1.7547 2.7200 1.4245 1.4818 1.5366 1.5138 2.1835 1.5249 1.6662 1.8558 2.2097 1.1060 1.1862 1.0856 1.0981 1.0477 1.0859 1.0969 1.0796 2.2751 1.1064 2.1845 3.4355 4.5597 5.4845 7.0208 5.7592 8.8988 7.4334 9.8129 1.0731 1.0470 1.0454 1.0664 1.0714 1.0619 1.0948 1.0863 1.0954 1.1050 1.0968 1.1022 1.0953 1.0596 1.0999 1.1071 1.0955 1.0875 1.0914 1.0952 1.0955 1.0961 1.0803 1.0777 0.0003 0.0007 0.0009 0.0015 0.0056 0.0072 0.0060 0.0118 0.0136 0.0215 0.0107 0.0249 0.0249 0.0343 0.0509 0.0272 0.0383 0.0764 0.0852 0.1227 0.0541 0.2066 0.1824 0.0953 0.3024 0.2891 0.1213 0.2427 0.1787 0.2754 0.5586 0.3699 0.4989 0.5023 0.8398 0.5754 0.3511 0.5482 1.5041 0.6919 1.1799 0.9978 0.4535 0.3977 0.4668 0.7913 0.8888 1.3310 1.7415 1.6214 2.2589 1.3297 1.2020 1.2599 0.5474 1.2215 1.5649 1.5939 0.9886 2.9228 2.0869 1.1256 1.3455 0.7193 0.6810 1.8713 1.3202 0.9173 1.1776 1.3795 0.9296 3.1984 6.0501 4.4367 6.4885 4.1962 0.9944 2.2424 2.5035 1.0082 3.5817 2.1140 1.6149 1.4396 3.0538 1.6331 2.0237 2.0875 2.6423 3.1579 1.0928 3.4765 1.3061 1.1768 1.1348 2.0486 1.4184 1.8502 1.6080 5.2259 3.1290 2.0353 1.5016 1.4851 1.5832 1.6688 2.2417 2.9628 2.3028 3.6073 1.9033 2.0150 2.1230 2.0958 3.0973 2.2436 2.4930 2.8363 3.4010 1.7326 1.8698 1.7164 1.7446 1.6711 1.7445 1.7724 1.7453 3.7397 1.8320 3.7713 6.1774 8.2603 10.1971 13.1589 11.0687 17.7339 15.3929 22.4506 6.3566 6.2231 6.2664 6.4041 6.4669 6.4145 6.6489 6.6794 6.7405 6.8136 6.7981 6.8553 6.8435 6.6642 7.1000 7.1900 7.1215 7.2486 7.3316 7.4069 7.4690 7.4909 8.9524 9.7768 1.1255 0.0228 0.1452 0.7452 0.0777 0.2070 0.0989 0.1346 0.2248 2.6380 1.8852 1.7942 10.3980 3.4201 5.6430 5.5313 1.1390 10.2889 1.4362 0.4133 1.6601 0.9648 1.7687 6.4235 26.7095 6.8403 0.8035 7.9670 2.5292 3.8256 0.0945 3.6148 0.4611 0.8971 17.0666 5.3264 0.0024 0.0755 7.7464 2.4557 19.5117 2.2000 11.4177 105.4757 27.3020 25.7963 13.7961 2.0927 0.0636 4.1063 14.1438 9.1891 11.0841 49.5805 51.8055 75.2038 9.0872 9.3721 12.4940 49.2390 17.5554 2.8227 1.7616 2.0966 0.0175 22.4346 5.5361 0.9416 8.5946 1.1468 2.9401 3.2799 3.7269 0.0680 17.4978 43.9194 0.0364 15.7152 6.4389 0.0691 12.3620 7.1595 3.4301 2.7276 25.5810 0.4468 24.1576 9.9273 10.8616 15.8914 2.7797 179.1511 13.3546 42.1832 0.2204 194.0658 0.1364 12.1636 58.0686 382.5282 176.6167 12.6590 21.5867 29.5307 90.6416 59.6617 2.3573 38.0272 83.1852 6.8254 4.8745 4.8091 6.1487 12.0559 27.0522 80.4206 5.5092 105.5970 14.2130 11.3436 9.6699 5.1647 1.3656 3.7311 38.7852 4.4828 1.6244 43.9909 9.4103 1088.2077 849.5582 149.4272 15.9010 78.5135 6.7507 71.3633 291.8137 170.7234 47.6497 24.9761 93.4005 29.7016 24.9808 31.4478 6.5235 74.8863 38.5853 116.4870 85.4966 57.0523 44.3675 15.7645 40.3267 0.0003 12.1534 0.0139 14.8542 34.4647 8.9517 4.3394 212.3812 63.7701 2.6099 4.3866 1.9752 0.3547 3.4945 0.5732 0.8615 0.3031 0.3578 0.3395 0.5326 0.6573 0.2108 1.3862 1.7438 0.2373 0.7288 0.1916 0.3849 0.2995 0.1348 2.4349 0.8741 0.6184 2.2184 1.2380 0.7563 1.8460 0.6169 0.3389 2.6705 0.4916 0.5929 0.6031 1.9222 1.6190 0.0660 6.4053 1.4894 1.0455 1.4661 0.2023 1.8040 2.9872 3.1442 9.3904 1.5811 5.0238 6.5349 3.2779 2.9561 0.0399 4.4171 1.9245 0.7911 2.3788 8.7443 8.5051 1.9617 3.8031 17.6278 11.3497 6.5880 1.9340 2.5215 3.8021 15.4608 0.5831 1.7880 8.9913 2.9992 16.9328 18.5745 44.2842 4.4226 12.8881 0.0337 13.1641 4.0539 1.5998 44.9790 2.3695 5.1045 2.1482 23.5414 1.7224 2.1615 5.9430 15.9980 12.0759 2.4337 11.2568 5.6734 12.3955 12.4664 3.7670 5.2032 1.8576 2.7179 15.6212 12.6127 11.8834 4.9061 4.3722 11.7751 17.5712 20.0153 30.8730 107.1873 44.9421 1.1893 11.5790 6.9697 1.2345 26.2757 19.1769 56.9253 102.3100 30.8822 25.2448 11.0193 18.8237 8.5819 17.7556 10.0216 8.2706 10.3018 1.8381 15.1710 19.9987 4.6318 164.9224 62.9411 25.4371 25.2275 1113.9815 14.9608 48.3925 95.0736 5.3058 178.9671 105.9219 132.5621 45.6037 75.1999 66.7559 102.2374 90.4844 201.7929 112.2003 63.1548 54.7638 75.6246 28.8281 47.8435 47.5454 123.5933 155.1528 67.4644 141.9204 78.9585 37.9300 0.7496 0.7488 0.7473 0.7484 0.7498 0.7358 0.7268 0.6650 0.7306 0.7408 0.7429 0.2670 0.5127 0.4390 0.7495 0.5819 0.7195 0.5740 0.6425 0.2942 0.6889 0.7495 0.5464 0.6365 0.2164 0.4617 0.1718 0.1153 0.2598 0.5776 0.7499 0.4241 0.1753 0.6962 0.7351 0.5931 0.7500 0.5418 0.6169 0.7500 0.7290 0.6969 0.7027 0.1256 0.6543 0.4567 0.4194 0.3341 0.7496 0.5525 0.5956 0.7484 0.7500 0.3754 0.4082 0.7497 0.1993 0.1615 0.7500 0.4480 0.2662 0.4134 0.0509 0.2968 0.7500 0.6445 0.2757 0.3859 0.7498 0.7211 0.7500 0.2257 0.1268 0.1459 0.2457 0.1383 0.7500 0.1647 0.7499 0.7500 0.3444 0.6905 0.6831 0.4933 0.6393 0.2396 0.7047 0.4290 0.6751 0.2894 0.6483 0.6103 0.7371 0.2272 0.5213 0.6910 0.4769 0.7324 0.4678 0.4331 0.6891 0.7322 0.7129 0.7480 0.7031 0.7463 0.2590 0.7491 0.2627 0.3569 0.6679 0.3296 0.7014 0.1838 0.6446 0.0715 0.1884 0.1614 0.3268 0.7484 0.6299 0.7353 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0.8558 0.8257 0.8547 0.4114 0.8566 0.4161 0.5261 0.8009 0.4958 0.8245 0.3106 0.7839 0.1335 0.3171 0.2779 0.4926 0.8561 0.7729 0.8475 0.8192 0.8417 0.8551 0.6526 0.8277 0.5402 0.8200 0.4026 0.4273 0.4836 0.4228 0.8041 0.8305 0.5045 0.4065 0.3747 0.3585 0.8543 0.1115 0.3122 0.3461 0.6194 0.7259 0.3054 0.5253 0.7383 0.4015 0.8385 0.4761 0.0556 0.7142 0.8571 0.5887 0.8505 0.8569 0.3584 0.2115 0.2268 0.2422 0.2505 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 6 8 6 6 7 6 8 6 6 6 16 6 7 6 8 6 16 6 7 7 6 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 7234.9069 51043.4373 57863.0285 0.99999 -0.00342 0.00014 0.00342 0.99999 0.00096 -0.00014 -0.00096 1.00000 1 0.01197 0.00170 0.00150 0.24945 0.03536 0.03119 13.47 21.54 25.88 30.78 54.17 65.64 68.44 88.54 98.05 108.19 120.09 143.23 145.68 161.17 168.35 174.98 199.51 227.98 270.87 288.97 323.51 328.25 348.02 370.50 399.85 427.61 440.04 448.59 486.17 504.38 519.11 553.42 572.92 579.10 591.04 630.93 649.83 722.55 773.68 789.51 791.52 807.31 831.99 866.09 874.59 881.71 916.77 954.23 973.80 1025.54 1090.84 1099.98 1103.11 1138.90 1149.06 1160.32 1189.39 1194.96 1259.32 1265.70 1286.97 1307.19 1325.76 1327.54 1384.89 1402.16 1439.77 1455.07 1467.70 1496.33 1529.58 1537.48 1541.55 1569.00 1589.43 1596.39 1600.79 1619.21 1626.71 1631.37 1663.66 1669.62 1678.69 1706.87 1742.68 1745.64 1752.15 1776.58 1779.56 1784.10 1821.63 1850.58 1870.18 1874.18 1874.60 1879.40 1901.30 1932.40 1939.94 1965.36 1978.16 1994.15 1997.44 2007.61 2036.35 2058.45 2110.04 2116.88 2147.29 2158.62 2166.67 2185.80 2203.29 2205.52 2232.48 2273.62 2292.79 2317.27 2325.45 2346.06 2353.35 2356.91 2362.59 2367.27 2375.76 2382.63 2383.30 2403.20 2411.96 2462.82 2513.50 2522.88 2555.88 2566.18 2598.59 2646.10 2697.33 2835.20 4562.02 4569.93 4589.27 4593.39 4605.21 4606.84 4619.35 4647.88 4649.65 4654.55 4666.60 4674.72 4685.33 4700.77 4762.41 4776.73 4779.20 4839.34 4858.16 4874.54 4894.36 4900.11 5395.96 5645.70 0.478117 0.506838 0.507782 0.411845 -2158.873072 -2158.844351 -2158.843407 -2158.939345 3.217776D-04 MUNgauss RevisionA2.0 retrievium 18-Jan-2021 DUDE COCCNC(=O)c1c2c(sc1NC(=O)CSc3nnc(o3)c4ccccc4)CCCC2 C18423644 RHF 6-31G(d) (6D,10F) C1 472.123899 |X|Y|Z| 63.365303 16.922455 165.830604 56.233250 24 6 7 8 16 18 3 1 2 |36.858105| |13.658165|73.516695| |8.111771|24.223596|36.858105| |5.217355|14.346955|12.579492|36.858105| |4.694217|12.271367|7.866018|13.154245|53.358707| |3.527494|8.258250|5.184634|7.803528|19.255255|36.858105| |3.086959|6.992086|4.591982|6.962755|11.638808|15.657065|73.516695| |3.092935|6.827287|3.948648|5.032864|10.672572|12.806991|14.336098|36.858105| |3.178474|6.760280|3.685968|4.239642|8.512867|7.177990|9.103917|13.042482|36.858105| |2.639680|5.395249|2.929532|3.292795|5.975364|5.060863|7.237274|8.179331|14.191926|36.858105| |2.260497|4.628841|2.588773|3.005141|5.206688|4.762786|7.466081|7.383442|7.402035|10.959770|388.023441| |2.545997|5.423040|3.138846|3.901427|7.100774|7.704961|11.964959|13.944002|8.146466|7.701625|78.313843|36.858105| |2.314476|4.901209|2.910869|3.679839|6.141886|6.548892|12.704774|7.811463|5.189176|4.968055|49.513848|13.773319|53.358707| |1.993572|4.117255|2.419783|2.942892|4.659271|4.470883|8.655817|5.143472|3.989572|4.111493|43.109428|7.789961|19.102591|36.858105| |1.861287|3.786017|2.185001|2.581239|4.091271|3.757431|6.881658|4.521803|3.814362|4.211177|47.900779|6.683786|11.489525|15.929396|73.516695| |1.854649|3.804607|2.271699|2.757383|4.134703|3.816405|7.882606|3.950364|3.142000|3.133430|29.123922|5.095217|10.806641|12.558556|14.187790|36.858105| |1.585388|3.181044|1.870849|2.188472|3.230255|2.826571|5.548113|2.980692|2.544292|2.626799|24.094546|3.691890|6.536108|7.017610|11.919808|10.498233|388.023441| |1.502873|2.999580|1.783614|2.075634|2.963316|2.532348|5.080930|2.546203|2.182686|2.194954|18.966427|2.977696|5.118034|4.707711|7.570143|7.142958|77.568357|36.858105| |1.557228|3.119677|1.878473|2.202365|3.083846|2.624854|5.404090|2.551357|2.160975|2.126717|17.916427|2.908173|5.015783|4.306511|6.612748|6.545872|49.393911|15.036194|53.358707| |1.422578|2.816995|1.692120|1.947137|2.686355|2.229232|4.511111|2.158644|1.869985|1.842280|15.164779|2.401809|3.958855|3.288601|5.265735|4.445731|35.210379|8.995531|18.745911|53.358707| |1.328396|2.613389|1.553861|1.769356|2.465062|2.036874|4.037762|2.012939|1.770747|1.769940|14.660482|2.256148|3.658617|3.105513|5.163425|4.047800|36.027406|9.077138|12.179976|20.461783|36.858105| |1.360855|2.685499|1.586668|1.813999|2.571935|2.151915|4.232568|2.172779|1.909674|1.934967|16.427900|2.494185|4.091698|3.641016|6.182434|4.827534|51.376814|14.257253|11.967585|11.976528|14.129106|73.516695| |1.208215|2.354041|1.393007|1.563140|2.165629|1.761337|3.441516|1.743822|1.560480|1.564398|12.754494|1.926959|3.037011|2.524842|4.294039|3.098852|26.825028|5.443590|7.255022|10.505798|12.994608|13.938567|36.858105| |1.171787|2.273691|1.350177|1.505767|2.060396|1.657414|3.242256|1.620577|1.454598|1.446026|11.594488|1.762211|2.747780|2.225328|3.753437|2.684564|21.772896|4.182703|6.046161|8.789240|7.728590|9.188832|13.684098|36.858105| |1.081078|2.082740|1.231203|1.358869|1.856850|1.479751|2.863599|1.452085|1.318402|1.314380|10.442124|1.567645|2.404545|1.930553|3.298308|2.261302|18.211734|3.266894|4.584635|5.989225|5.101174|7.013537|7.938319|13.791590|36.858105| |1.031215|1.980910|1.163920|1.279532|1.760963|1.402741|2.689725|1.391513|1.273346|1.279795|10.192687|1.508074|2.295849|1.856588|3.222660|2.141016|17.653943|3.055590|4.097284|5.063023|4.496548|6.712311|6.875543|7.937714|13.725537|36.858105| |1.055594|2.032964|1.190804|1.313899|1.824823|1.463613|2.799386|1.466665|1.342078|1.359120|10.948637|1.606773|2.455458|2.018877|3.543326|2.332701|20.025198|3.453102|4.415896|5.332232|5.080766|8.019759|7.935841|6.865082|7.932153|13.759601|36.858105| |1.139694|2.209724|1.297597|1.445495|2.017377|1.635314|3.150796|1.641543|1.487140|1.506914|12.306751|1.819221|2.825993|2.365438|4.130479|2.808543|25.125907|4.603157|5.678243|7.033024|7.672226|11.932338|13.714808|7.908461|6.866978|7.938795|13.755253|36.858105| |2.434166|4.777566|2.543285|2.727712|4.673503|3.688301|5.513031|5.025753|7.482068|12.648727|48.017655|4.826066|4.913354|3.209171|6.024162|2.565391|16.053766|1.912927|2.510547|2.214769|1.580277|3.060643|1.417359|1.314553|1.206589|1.182619|1.255295|1.378859|36.858105| |2.750540|5.277782|2.717708|2.799524|4.750555|3.495758|5.150670|4.408145|6.626540|7.645060|32.813907|3.897528|4.136130|2.676914|4.873649|2.226062|13.936682|1.706559|2.269900|2.024764|1.438109|2.748101|1.299354|1.216965|1.122150|1.096962|1.155748|1.260622|12.446048|36.858105| |3.244369|6.243707|3.236608|3.260109|5.662597|4.005298|5.743865|4.871827|7.559683|6.805030|29.984252|3.968682|4.217659|2.649433|4.670408|2.235299|13.715385|1.704444|2.297742|2.049040|1.441378|2.730112|1.299401|1.224277|1.126512|1.094515|1.146838|1.250897|7.581219|12.469529|36.858105| |3.848362|8.005644|4.156668|4.362929|8.470777|5.780346|7.570268|7.155325|12.567334|7.662610|33.641688|5.018322|5.121281|3.052286|5.203672|2.553274|15.127084|1.881217|2.561326|2.259163|1.571625|2.971132|1.402753|1.321849|1.207449|1.165535|1.219484|1.338100|6.312649|7.540109|12.435418|36.858105| |17.518242|16.472017|7.202973|4.734419|5.472108|3.133438|5.051399|2.724722|2.736850|2.319973|14.500255|2.298049|2.905675|1.860151|3.081313|1.757534|10.748735|1.449636|2.056082|1.891926|1.295188|2.342768|1.182527|1.153374|1.066250|1.014579|1.034095|1.113105|2.145178|2.378709|2.742483|3.182270|0.500000| |17.512312|16.459294|7.203367|4.742184|6.057961|3.416221|5.309870|3.044699|3.191748|2.651601|15.947936|2.501033|3.073782|1.947357|3.244810|1.805894|11.011209|1.465035|2.061534|1.884958|1.295839|2.362297|1.180324|1.144392|1.057255|1.009857|1.034105|1.115357|2.473036|2.827335|3.442757|3.988393|0.299511|0.500000| |17.623183|16.882297|5.852620|4.364103|5.679668|3.245749|5.020252|2.956822|3.116508|2.634015|15.900323|2.462221|3.023590|1.930725|3.239041|1.785003|10.955623|1.452582|2.034589|1.861429|1.284536|2.347670|1.171630|1.133852|1.048810|1.004179|1.029945|1.110295|2.475158|2.849853|3.287106|3.797277|0.299863|0.299618|0.500000| |7.284292|16.546026|17.500505|8.866507|9.599690|4.945352|7.770495|3.890115|3.725975|2.954720|18.303597|3.081616|3.850028|2.356776|3.804734|2.202386|12.963150|1.733496|2.476515|2.234599|1.512226|2.748553|1.358645|1.316491|1.202799|1.139036|1.165794|1.268582|2.588608|2.786128|3.428034|4.343030|0.175874|0.216779|0.147555|0.500000| |7.234310|16.516307|17.500697|8.894402|7.709991|4.205828|7.055250|3.291743|3.059167|2.520101|16.240520|2.732062|3.545479|2.213009|3.557097|2.122300|12.570435|1.712115|2.473097|2.251172|1.514279|2.723604|1.364511|1.332549|1.218036|1.147584|1.167632|1.267459|2.222627|2.356514|2.737683|3.359531|0.214976|0.174536|0.146978|0.300236|0.500000| |4.262982|10.269682|8.898679|17.646184|12.550434|7.309767|13.739015|4.686578|3.841032|3.062253|20.520036|3.789380|5.072909|2.992539|4.598014|2.874706|16.052450|2.172393|3.182341|2.809837|1.856014|3.357871|1.632848|1.578898|1.418719|1.328132|1.359494|1.498658|2.541250|2.557972|2.964039|3.831620|0.111947|0.112572|0.100011|0.215308|0.212752|0.500000| |4.813410|12.799782|8.906430|17.543289|12.369707|6.576360|11.097792|4.536183|3.812732|3.066389|20.435787|3.697151|4.881136|2.919999|4.547351|2.777208|15.728057|2.113926|3.066379|2.716053|1.808331|3.284969|1.596809|1.540672|1.388715|1.305039|1.338355|1.472977|2.560387|2.608901|2.929327|3.808991|0.126024|0.115959|0.116578|0.173953|0.216641|0.302238|0.500000| |5.290413|14.161759|7.401341|9.160506|26.123292|9.397969|10.927343|7.370035|6.959943|4.731859|27.421589|4.904394|5.528029|3.170186|5.097966|2.772501|15.814367|2.023881|2.832155|2.486647|1.694537|3.155481|1.500066|1.425657|1.292466|1.232514|1.279298|1.408393|3.762439|3.991086|4.838939|7.789863|0.119424|0.137649|0.135060|0.184811|0.146999|0.181119|0.205732|0.500000| |2.435102|5.229664|3.199038|4.208624|6.852359|7.667314|18.019926|7.410864|4.782642|4.293525|37.596255|9.516464|25.867896|9.265219|10.780073|7.567694|31.589655|3.757208|5.265366|4.136019|2.733839|5.296837|2.258714|2.068580|1.800623|1.700184|1.800346|2.069061|3.213105|2.817084|2.956977|3.656405|0.062784|0.065743|0.064014|0.085733|0.079752|0.122310|0.113785|0.119531|0.500000| |1.856798|3.801102|2.310868|2.804927|4.154247|3.841924|8.234193|3.847443|3.052129|2.987745|26.734908|4.755242|9.683590|8.872472|10.967107|17.612074|56.253104|6.746027|9.322606|6.302047|4.066640|8.243444|3.109010|2.734161|2.291699|2.146124|2.312350|2.771199|2.457725|2.155017|2.204837|2.518701|0.049030|0.050572|0.049190|0.062889|0.060167|0.083262|0.077225|0.076194|0.208937|0.500000| |1.917906|3.964548|2.368961|2.915662|4.282687|3.903728|8.221097|3.861703|3.046863|2.970775|26.497027|4.746710|9.678165|8.873386|10.971527|17.613709|56.255419|6.753491|9.344954|6.310419|4.069412|8.246345|3.110249|2.735483|2.292482|2.146539|2.312580|2.771584|2.439029|2.157567|2.173472|2.512005|0.050741|0.051333|0.051248|0.062789|0.061899|0.084236|0.083589|0.079319|0.207037|0.303145|0.500000| |1.218704|2.370290|1.416287|1.584646|2.150496|1.727969|3.410815|1.669422|1.488803|1.467622|11.706011|1.803697|2.824944|2.259282|3.752348|2.750106|21.432636|4.156526|6.443393|9.811662|7.172765|8.473167|8.922889|17.744708|8.903737|5.639822|4.950092|5.640984|1.327570|1.233642|1.248587|1.355826|0.033410|0.033022|0.032636|0.038297|0.038977|0.046444|0.045122|0.041113|0.059835|0.078861|0.078913|0.500000| |1.053930|2.023960|1.198142|1.316049|1.786378|1.413973|2.734028|1.379288|1.255463|1.246207|9.809592|1.476157|2.249538|1.783355|3.036773|2.068923|16.232629|2.849928|4.077395|5.198596|4.147286|5.862810|5.647030|8.943865|17.723614|8.903320|5.643178|4.949359|1.146595|1.072457|1.080137|1.157263|0.028974|0.028632|0.028374|0.032518|0.033073|0.038219|0.037378|0.034543|0.047031|0.058543|0.058564|0.214769|0.500000| |0.975506|1.865625|1.093684|1.194895|1.641721|1.299981|2.479144|1.290304|1.188357|1.194961|9.448786|1.390478|2.096933|1.682585|2.933386|1.911119|15.541969|2.608481|3.503710|4.196586|3.586385|5.554115|4.953359|5.647931|8.908323|17.717880|8.920302|5.647053|1.110627|1.034135|1.031284|1.093721|0.026700|0.026558|0.026422|0.029763|0.030007|0.034381|0.033830|0.032018|0.043092|0.053201|0.053209|0.124035|0.214756|0.500000| |1.013107|1.944997|1.134291|1.245971|1.736829|1.389456|2.637254|1.401936|1.292602|1.316319|10.590261|1.535770|2.325415|1.912090|3.398186|2.168932|18.674972|3.077493|3.872257|4.475440|4.129317|6.969992|5.647306|4.948391|5.641373|8.912648|17.723829|8.931933|1.223892|1.126231|1.112682|1.176441|0.027538|0.027600|0.027533|0.030890|0.030849|0.035665|0.035201|0.033975|0.047030|0.059356|0.059356|0.107484|0.124057|0.214910|0.500000| |1.156260|2.245007|1.313353|1.465639|2.064326|1.682576|3.225811|1.708716|1.550773|1.584893|13.093940|1.914117|2.976712|2.536808|4.503197|2.994751|28.230733|4.965587|5.704053|6.539367|7.060642|13.520067|8.905543|5.632686|4.950856|5.648284|8.918960|17.742822|1.450936|1.316751|1.298865|1.386088|0.031246|0.031452|0.031360|0.035693|0.035455|0.042040|0.041413|0.040141|0.059774|0.080774|0.080774|0.124130|0.107496|0.124207|0.215455|0.500000| |2.235670|4.333399|2.351117|2.504560|4.201885|3.342073|5.135976|4.409054|6.017611|8.928325|43.098909|4.363049|4.607146|3.073771|5.823092|2.481851|15.745815|1.877753|2.456164|2.174619|1.557624|3.019550|1.401333|1.298911|1.194654|1.173619|1.247019|1.367640|17.509902|8.827248|6.590331|5.277344|0.055259|0.063848|0.062547|0.067403|0.057596|0.066053|0.064878|0.091562|0.083974|0.066883|0.064623|0.036363|0.031525|0.030647|0.033838|0.040023|0.500000| |2.236963|4.364992|2.310377|2.482124|4.148850|3.273396|5.011858|4.322180|5.753289|8.899390|45.587355|4.384486|4.638579|3.139434|6.061901|2.513300|16.082195|1.901904|2.472859|2.187619|1.572806|3.062721|1.415088|1.307762|1.203080|1.184614|1.262085|1.385226|17.539360|8.810875|5.526953|4.882290|0.055337|0.062366|0.063793|0.064420|0.056838|0.064286|0.066040|0.092199|0.083452|0.065849|0.066567|0.036525|0.031695|0.030926|0.034301|0.040658|0.303868|0.500000| |2.493831|4.658601|2.410582|2.442307|4.002195|2.932124|4.447710|3.551985|4.865681|5.569827|27.337917|3.244720|3.578469|2.373088|4.358587|2.006732|12.807098|1.578588|2.095025|1.884486|1.345395|2.566028|1.224350|1.148829|1.064678|1.044247|1.099612|1.193506|8.840438|17.549342|8.806508|5.489209|0.060642|0.071813|0.072100|0.069057|0.059001|0.062717|0.063545|0.091576|0.068067|0.054170|0.053903|0.032268|0.028300|0.027431|0.029863|0.034625|0.220464|0.206063|0.500000| |2.887598|5.549617|2.774344|2.850184|4.802362|3.455626|5.074305|4.256776|6.112718|6.650003|30.679237|3.749707|4.030934|2.613425|4.740522|2.187667|13.709433|1.685368|2.245581|2.006376|1.424288|2.716693|1.288141|1.208014|1.114522|1.089071|1.146294|1.249222|8.845698|17.520116|8.862962|6.954395|0.069032|0.080748|0.085049|0.077306|0.066911|0.071086|0.075114|0.114916|0.076644|0.058266|0.059710|0.034032|0.029609|0.028532|0.031023|0.036209|0.174249|0.220067|0.302968|0.500000| |2.926483|5.587081|3.013141|3.048383|5.196181|3.796831|5.594806|4.592792|6.636788|6.289345|29.416544|3.861689|4.159428|2.634168|4.654900|2.228783|13.729775|1.706316|2.297450|2.050429|1.444070|2.736477|1.302627|1.226803|1.129242|1.097843|1.150809|1.255006|6.995116|8.866783|17.519935|8.850760|0.070046|0.087525|0.080662|0.090556|0.071642|0.079238|0.075421|0.117124|0.080983|0.061795|0.059443|0.034731|0.030068|0.028737|0.031027|0.036212|0.197272|0.140620|0.210531|0.173841|0.500000| |3.491082|6.430985|3.247012|3.125528|5.200243|3.519099|5.148328|3.994769|5.529635|4.954436|24.302411|3.300269|3.651981|2.325196|4.082436|2.007008|12.434707|1.567263|2.123393|1.910385|1.343645|2.527239|1.218833|1.154811|1.066916|1.036230|1.081422|1.173607|5.506393|8.810839|17.543967|8.856938|0.081030|0.105242|0.099993|0.096317|0.076769|0.078435|0.078215|0.124558|0.072294|0.055162|0.054681|0.032750|0.028515|0.027201|0.029165|0.033727|0.138288|0.123385|0.214561|0.210443|0.303074|0.500000| |4.475466|9.486594|4.522688|4.622291|8.776285|5.453905|7.193762|6.162526|8.858503|6.133815|29.562294|4.464292|4.736218|2.856669|4.858589|2.428813|14.470009|1.815911|2.481738|2.199626|1.528845|2.877573|1.368611|1.293938|1.183972|1.141963|1.191957|1.304761|5.318329|6.633742|8.882746|17.483509|0.099724|0.124412|0.126934|0.125577|0.100467|0.107574|0.115024|0.254384|0.095062|0.065922|0.067607|0.036908|0.031582|0.029805|0.031938|0.037457|0.121325|0.123755|0.138975|0.198801|0.174685|0.221585|0.500000| 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