Version2.4 2021-05-20T02:10:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 12-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(=O)n(n1C)c2ccccc2)n3c(nnn3)SCc4ccccc4Br C11620017 RHF 6-31G(d) (6D,7F) Cc1c(c(=O)n(n1C)c2ccccc2)n3c(nnn3)SCc4ccccc4Br C01[X(C19H17Br1N6O1S1)] 129 C1 473 Brc1ccccc1CSc1nnnn1c1c(C)n(n(c1=O)c1ccccc1)C Brc1ccccc1CSc1nnnn1c1c(C)n(n(c1=O)c1ccccc1)C CN1N(C(=O)C(=C1C)n2nnnc2SCc3ccccc3Br)c4ccccc4 InChIKey=USZODYBEDYOXBQ-UHFFFAOYSA-N InChI=1S/C19H17BrN6OS/c1-13-17(18(27)26(24(13)2)15-9-4-3-5-10-15)25-19(21-22-23-25)28-12-14-8-6-7-11-16(14)20/h3-11H,12H2,1-2H3 InChI=1/C19H17BrN6OS/c1-13-17(18(27)26(24(13)2)15-9-4-3-5-10-15)25-19(21-22-23-25)28-12-14-8-6-7-11-16(14)20/h3-11H,12H2,1-2H3 Cc1c(c(=O)n(n1C)c2ccccc2)n3c(nnn3)SCc4ccccc4Br C01[X(C19H17Br1N6O1S1)] 129 C01 473 Brc1ccccc1CSc1nnnn1c1c(C)n(n(c1=O)c1ccccc1)C Cn1n([C]2[CH][CH][CH][CH][CH]2)c(=O)c(c1C)N1[N][N][N][C]1SC[C]1[CH][CH][CH][CH][C]1Br CN1N([C]2[CH][CH][CH][CH][CH]2)C(=O)C(=C1C)N3[N][N][N][C]3SC[C]4[CH][CH][CH][CH][C]4Br InChIKey=USZODYBEDYOXBQ-UHFFFAOYSA-N InChI=1S/C19H17BrN6OS/c1-13-17(18(27)26(24(13)2)15-9-4-3-5-10-15)25-19(21-22-23-25)28-12-14-8-6-7-11-16(14)20/h3-11H,12H2,1-2H3 InChI=1/C19H17BrN6OS/c1-13-17(18(27)26(24(13)2)15-9-4-3-5-10-15)25-19(21-22-23-25)28-12-14-8-6-7-11-16(14)20/h3-11H,12H2,1-2H3 3158.8579844823 -4098.2634019 1-A 15908.0384 116 357 473 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.07063 -91.97136 -64.48180 -58.62093 -58.61910 -58.61895 -20.53215 -15.67361 -15.65361 -15.64707 -15.63904 -15.63366 -15.58317 -11.36156 -11.34542 -11.33247 -11.30712 -11.28747 -11.28662 -11.28371 -11.27667 -11.26979 -11.26474 -11.25469 -11.25236 -11.25185 -11.24888 -11.24231 -11.24109 -11.23956 -11.23710 -11.23678 -9.72963 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.10717 0.11410 0.12252 0.13595 0.14133 0.15911 0.16499 0.17759 0.21000 0.21534 0.23540 0.24183 0.25084 0.25233 0.26871 0.27096 0.27342 0.28233 0.28711 0.28898 0.29875 0.30289 0.30918 0.31153 0.32064 0.32222 0.32865 0.33171 0.33830 0.34694 0.35315 0.36176 0.36920 0.38891 0.40065 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2.79066 2.80994 2.81841 2.84805 2.88098 2.89804 2.92536 2.93526 2.95707 2.95905 2.97923 2.99699 2.99766 3.02440 3.03879 3.05531 3.06960 3.07741 3.08865 3.09324 3.10007 3.10316 3.10954 3.12672 3.13189 3.15346 3.16302 3.22421 3.23756 3.26366 3.26765 3.29672 3.35960 3.39521 3.41992 3.42468 3.48929 3.49207 3.53342 3.66072 3.69117 3.77861 3.83946 3.96707 4.18137 4.33554 4.47815 4.50061 4.51930 4.52340 4.52778 4.54001 4.55840 4.56905 4.57991 4.60322 4.62843 4.65848 4.66744 4.73429 4.73542 4.75725 4.77182 4.78339 4.83293 4.83730 5.04745 5.11076 5.14121 5.34405 9.30731 75.09742 11.67849 2.2198 3.9430 5.7778 7.3388 |XX|YY|ZZ|XY|XZ|YZ| -155.5813 -182.2457 -180.0344 -14.9911 16.0639 -18.2534 |XX|YY|ZZ|XY|XZ|YZ| 17.0392 -9.6253 -7.4139 -14.9911 16.0639 -18.2534 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -48.0830 103.6907 77.9597 -23.4209 70.1060 32.9972 -30.7761 14.2402 79.1729 -8.4665 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -13637.7958 -4794.9616 -1978.8112 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1.5395 1.5354 3.4657 4.6804 5.3878 4.5279 5.8683 4.5486 2.3805 7.4645 9.8171 5.1800 6.4068 2.7716 3.4222 4.7006 3.4006 6.0259 7.4982 3.9287 4.6497 7.4313 5.9012 5.2560 5.3585 5.7600 6.3888 6.5494 4.6173 2.2270 4.7199 9.0053 13.0403 1.9799 1.8875 6.1436 2.1486 4.3216 3.8790 1.2487 3.6636 1.5162 1.4480 1.4483 6.0298 1.3755 1.3633 3.8516 12.3126 6.6407 1.3333 1.3665 1.9805 2.5159 2.3390 1.6686 1.9385 2.9959 2.7218 7.8380 2.4474 1.7375 2.7025 8.1712 1.5599 1.0982 1.1511 1.9567 2.5465 1.7272 1.5799 5.5722 1.3689 2.2094 2.5939 1.6938 3.1675 2.0043 2.2233 3.7434 1.3459 2.0220 1.1741 1.9722 1.1857 1.1146 1.7142 1.6678 2.3841 1.1914 2.2569 12.0916 5.5352 5.6956 5.6055 5.3014 9.7049 12.9017 1.0442 1.0393 1.1017 1.0607 1.0938 1.1024 1.1054 1.0873 1.0994 1.0971 1.0918 1.0922 1.0960 1.0966 1.0954 1.0963 1.0953 0.0005 0.0005 0.0014 0.0028 0.0053 0.0108 0.0222 0.0289 0.0239 0.0316 0.0376 0.0900 0.0450 0.0407 0.0269 0.0460 0.1183 0.1714 0.2086 0.1961 0.2984 0.2316 0.1419 0.4994 0.7021 0.4168 0.5761 0.3249 0.4231 0.5883 0.5062 0.9306 1.3542 0.7339 0.8707 1.5294 1.4438 1.3618 1.4022 1.5778 1.9299 1.9929 1.4593 0.7809 1.6724 3.2589 5.0223 0.8314 0.7966 2.6686 0.9664 2.0092 1.8457 0.6657 2.0696 0.8782 0.8607 0.9237 4.2283 0.9699 0.9746 2.8146 9.1071 4.9254 0.9925 1.0378 1.5079 1.9469 1.8264 1.3466 1.5937 2.5070 2.2976 6.7147 2.1572 1.5510 2.4133 7.7314 1.4792 1.0620 1.1417 2.0060 2.6412 1.8124 1.6895 6.3310 1.6343 2.6862 3.1864 2.1695 4.1578 2.8012 3.2348 5.6462 2.0444 3.0741 1.8193 3.0648 1.8445 1.7545 2.7269 2.6607 3.8244 1.9376 3.7234 20.2500 10.2153 10.7561 10.6754 10.1951 19.7169 29.8660 6.3777 6.3735 7.0308 6.8109 7.0830 7.2022 7.3058 7.2394 7.3349 7.3307 7.3229 7.3402 7.4122 7.4374 7.4643 7.4996 7.5392 0.4340 2.1354 1.1379 1.7411 1.2959 1.3645 1.0653 1.3021 1.8507 0.6503 5.2446 5.2980 1.5416 1.0662 0.3100 0.3321 1.4153 3.7255 0.3993 1.4564 1.9089 0.2589 3.3430 4.1162 1.3635 16.7402 2.0180 0.4449 0.5807 2.7562 3.2249 18.9012 0.2195 6.3144 2.6615 5.8711 6.9553 17.4440 3.9859 1.2351 25.6457 10.3230 4.4563 13.7548 20.0707 6.1489 6.9364 83.7051 2.5524 57.7676 11.8815 18.9222 5.0613 0.1405 42.4161 1.2554 0.1380 2.8734 1.0453 1.9861 0.4030 7.2615 4.9835 34.2060 0.1868 0.0231 11.5129 2.2657 4.8366 17.2022 39.4096 87.8186 0.4792 2.5063 25.0560 3.1255 10.8304 114.6374 25.7298 0.7056 0.2361 1.2999 7.2637 0.5010 1.5327 8.5238 20.4554 46.6905 187.6610 37.4098 73.1449 129.3621 186.1045 60.8350 23.2282 17.2318 2.8951 22.5367 15.4038 13.6011 92.3821 25.5905 29.9251 21.2766 88.9417 23.1147 3.2669 3.3547 3.5237 45.7206 67.5803 456.9030 42.2559 13.2896 7.2673 5.2254 18.0850 9.4713 13.6634 0.4159 0.2620 0.5750 17.8849 12.2908 37.9300 20.3774 5.9410 8.7393 1.9513 2.7357 0.9117 3.4333 3.3298 8.3180 2.8403 1.0684 1.1289 2.6994 2.8827 4.2419 1.6718 0.5355 2.3054 0.5320 0.5132 0.7864 2.7813 1.5092 0.9347 3.0190 0.5022 1.1214 6.8766 1.0116 1.3700 1.3895 2.1178 0.8135 1.0236 0.9372 4.1245 3.4826 4.1166 4.0703 3.4249 4.7267 7.5329 3.0927 2.7340 6.4340 6.6299 3.7219 3.2617 29.9534 0.7989 0.3210 10.4986 3.6676 3.1871 11.7873 5.5210 2.9882 2.6299 2.5276 0.6723 3.3034 1.0806 37.0938 0.2327 0.3511 9.1395 3.2386 17.6450 0.3412 0.3619 4.1190 1.7657 14.8914 1.1732 1.3402 4.1913 11.7832 6.4300 4.8146 3.7652 9.4145 16.0476 6.8597 9.8537 4.0312 11.8653 2.6366 1.2470 12.7073 18.6367 11.5891 16.8806 24.3293 8.1359 26.5266 2.6438 6.7039 43.1636 18.3954 3.7243 14.7224 5.0672 15.0275 11.8544 18.3870 14.8371 1.4535 13.0641 1.8289 7.3960 9.3675 7.4718 52.0234 50.6766 88.3979 10.4623 62.9192 174.5550 73.0797 52.1694 71.1487 45.1210 65.2055 50.3655 26.0864 45.4725 107.2904 88.0015 142.3954 161.4280 104.9778 153.3883 79.3709 0.7499 0.7438 0.7211 0.7451 0.7491 0.7466 0.7416 0.7233 0.7038 0.7496 0.6587 0.3659 0.7499 0.7217 0.7496 0.4018 0.6651 0.5119 0.4666 0.7347 0.6453 0.1141 0.2669 0.2648 0.1854 0.6421 0.5363 0.2043 0.7287 0.6772 0.1202 0.4869 0.5161 0.1867 0.1600 0.1277 0.6001 0.3586 0.4495 0.6400 0.4986 0.1602 0.4371 0.3335 0.2424 0.7329 0.6071 0.2997 0.6164 0.7429 0.4230 0.0248 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0.2124 0.3313 0.1854 0.8392 0.7826 0.7966 0.8571 0.7660 0.8569 0.6071 0.8557 0.6192 0.8571 0.8557 0.6374 0.2571 0.8571 0.5164 0.4843 0.5262 0.7413 0.8137 0.1961 0.5759 0.3989 0.6319 0.8418 0.4031 0.7091 0.4142 0.8365 0.5888 0.8025 0.7910 0.4502 0.7991 0.7899 0.8560 0.5756 0.7788 0.7153 0.8350 0.7275 0.7378 0.2194 0.7370 0.1535 0.0737 0.8566 0.1218 0.5733 0.8419 0.8367 0.8248 0.6692 0.8343 0.8562 0.8568 0.3162 0.3548 0.2211 0.2625 0.2935 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 6 6 6 6 8 7 7 6 6 6 6 6 6 6 7 6 7 7 7 16 6 6 6 6 6 6 6 35 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 15.99491 14.00307 14.00307 12.00000 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 12.00000 12.00000 12.00000 12.00000 78.91834 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 8979.0771 23737.1323 27006.5927 0.99969 -0.00542 0.02416 0.00614 0.99954 -0.02981 -0.02398 0.02995 0.99926 1 0.00965 0.00365 0.00321 0.20099 0.07603 0.06683 13.22 17.09 27.78 34.93 65.93 75.45 86.21 106.90 132.71 162.57 179.34 197.99 218.53 236.53 247.98 324.41 346.34 358.70 368.84 390.05 422.66 422.95 457.67 484.85 501.26 531.69 562.09 641.77 659.09 663.13 723.16 736.60 796.58 810.13 811.13 850.34 927.16 954.09 958.86 981.03 1030.20 1033.97 1053.76 1109.95 1115.76 1127.60 1163.26 1214.63 1217.71 1235.36 1257.13 1278.09 1292.96 1368.61 1408.83 1426.52 1445.12 1496.90 1569.64 1574.05 1584.82 1602.35 1612.07 1614.30 1617.20 1633.52 1635.57 1648.92 1656.38 1683.86 1699.55 1714.69 1722.18 1734.93 1759.82 1770.96 1771.30 1823.29 1825.34 1843.28 1866.78 1897.87 1908.96 1920.08 1938.34 1997.98 2048.13 2066.83 2077.50 2121.35 2147.57 2215.95 2260.97 2302.05 2310.18 2311.21 2333.22 2336.64 2337.85 2351.74 2364.13 2367.53 2374.05 2390.34 2407.60 2425.71 2546.40 2575.88 2586.75 2599.37 2671.72 2851.89 4632.35 4641.75 4735.22 4749.73 4769.79 4791.10 4818.73 4836.77 4841.59 4845.35 4854.52 4859.23 4874.57 4881.47 4893.04 4902.43 4917.75 0.366749 0.390465 0.391409 0.307055 -4097.896653 -4097.872937 -4097.871993 -4097.956347 2.829247D-04 MUNgauss RevisionA2.1 retrievium 20-May-2021 DUDE Cc1c(c(=O)n(n1C)c2ccccc2)n3c(nnn3)SCc4ccccc4Br C11620017 RHF 6-31G(d) (6D,10F) C1 456.036792 |X|Y|Z| 58.461189 40.476819 104.174922 62.701664 24 6 7 16 17 6 1 |36.858105| |12.753176|36.858105| |7.457200|14.229395|36.858105| |5.087861|8.363505|13.056066|36.858105| |3.909065|5.538383|7.913674|15.959188|73.516695| |5.213169|8.553780|8.500142|13.729487|14.708042|53.358707| |7.620288|13.837606|8.553888|8.321596|9.849420|18.472893|53.358707| |6.330691|7.818286|5.527757|5.468141|7.410436|10.850943|17.752820|36.858105| |3.909368|5.408298|5.342208|7.724510|11.635279|18.222604|10.682306|6.199926|36.858105| |3.147033|4.102569|4.285574|6.143589|11.016595|10.729744|7.121191|4.655255|13.734702|36.858105| |2.626024|3.237309|3.316046|4.326710|7.936950|7.035246|5.417573|3.718711|7.957766|13.768020|36.858105| |2.549145|3.063654|3.036844|3.754642|6.627186|6.182158|5.157448|3.571370|6.873584|7.921623|13.744814|36.858105| |2.908460|3.509209|3.353433|4.044945|6.757986|6.994178|6.133224|4.148610|7.949655|6.872119|7.957144|13.761193|36.858105| |3.675841|4.711081|4.375389|5.418617|8.388946|10.599947|9.053364|5.586138|13.733964|7.916205|6.877784|7.925490|13.749497|36.858105| |6.105377|7.761969|13.585967|7.541091|11.209111|7.211695|7.224238|4.019073|3.912695|3.385592|2.753242|2.538366|2.740219|3.367023|53.358707| |4.722904|5.438598|7.644938|5.651024|9.469675|5.721790|5.644053|3.244031|3.379951|2.987352|2.516560|2.357385|2.536773|3.027781|19.361818|36.858105| |3.974018|4.244417|5.425949|4.299319|7.476603|4.598248|4.566444|2.781554|2.799456|2.553526|2.193089|2.052105|2.173719|2.527044|12.144020|14.735802|53.358707| |4.218690|4.422909|5.575068|4.309314|7.316612|4.665817|4.684176|2.931194|2.780346|2.554868|2.172318|2.010600|2.115858|2.466821|12.452143|9.056210|19.290713|53.358707| |5.318976|5.885106|7.922601|5.506546|8.764380|5.790853|5.867175|3.591057|3.268510|2.946996|2.438408|2.235282|2.367425|2.826505|19.287595|8.829611|12.104412|20.845888|53.358707| |4.033874|4.660625|5.850271|5.071869|8.802191|5.455677|5.305699|3.017269|3.450110|3.013154|2.607189|2.509217|2.744289|3.241309|9.490712|10.909061|9.488379|6.789827|6.736847|388.023441| |3.084200|3.304757|3.881386|3.482119|6.279635|3.955091|3.882332|2.357412|2.603740|2.371865|2.123616|2.055930|2.200745|2.487167|6.430171|6.999300|8.859381|6.079574|5.416204|73.940274|36.858105| |2.657461|2.830201|3.186262|2.989417|5.423560|3.537826|3.467244|2.137561|2.421031|2.219771|2.038420|2.010846|2.155580|2.380242|4.873567|4.667840|5.853253|4.499230|4.174546|49.745921|12.632118|36.858105| |2.328629|2.524564|2.853184|2.802770|5.256867|3.331955|3.181872|1.982771|2.338703|2.195889|2.047578|2.014552|2.121727|2.294344|4.251771|3.887911|4.931270|3.945197|3.701214|38.493212|7.609326|13.683829|36.858105| |2.061542|2.211618|2.432656|2.420780|4.509506|2.966326|2.847096|1.804312|2.129940|2.014099|1.918273|1.916101|2.013437|2.130821|3.519597|3.069865|3.918383|3.267349|3.111017|28.794210|5.027302|7.866993|13.782043|36.858105| |2.024227|2.128810|2.284716|2.239388|4.074146|2.800963|2.744633|1.753292|2.014272|1.883037|1.802278|1.826589|1.944005|2.052063|3.272703|2.811971|3.589155|3.031676|2.903716|26.054143|4.424092|6.807284|7.959671|13.757423|36.858105| |2.225835|2.299103|2.440897|2.327582|4.143791|2.916385|2.918032|1.855549|2.064388|1.896404|1.795013|1.823375|1.969655|2.111888|3.524375|3.060837|3.891106|3.254380|3.108991|28.782206|4.983212|7.863514|6.903366|7.953194|13.775372|36.858105| |2.573034|2.657569|2.868088|2.663257|4.706785|3.263778|3.282781|2.051750|2.254381|2.047595|1.901267|1.909014|2.071909|2.272025|4.262632|3.872448|4.880085|3.924172|3.699475|38.510337|7.469277|13.703189|8.010336|6.908319|7.963330|13.763430|36.858105| |2.897422|2.833767|2.944816|2.607632|4.437289|3.252862|3.412457|2.151613|2.199603|1.962820|1.806592|1.820623|2.003786|2.229546|4.400843|3.900824|4.980461|4.094461|3.870562|35.049732|5.930094|6.628760|4.584177|4.089024|4.616117|6.749222|10.015322|2539.412838| |17.632032|8.982192|7.023992|4.639079|6.621182|5.973742|7.690815|4.704266|3.394244|2.820692|2.385253|2.309723|2.595552|3.192818|9.398151|5.506074|6.413857|6.801997|8.370919|31.605133|3.453130|2.890709|2.476782|2.165254|2.127638|2.369067|2.795011|110.212088|0.500000| |17.563676|8.930161|6.017456|4.467805|6.280691|6.377736|8.908327|6.499069|3.590734|2.981037|2.501001|2.407794|2.698656|3.334602|6.983426|3.988096|4.817120|5.348271|6.746920|23.867288|2.686111|2.333822|2.077749|1.855680|1.819746|1.981460|2.258621|85.758286|0.302062|0.500000| |17.586606|8.945504|5.753134|4.383979|6.162544|6.432607|9.517127|6.100233|3.780154|3.008187|2.570509|2.564332|2.995373|3.768742|6.527063|4.041722|4.663989|4.761781|5.654296|26.692774|2.917385|2.594127|2.271573|2.041284|2.034922|2.254390|2.575818|100.358702|0.300149|0.300583|0.500000| |4.760169|5.735538|4.523662|4.847001|6.923388|9.911744|12.499071|17.658743|6.899634|5.174179|4.239670|4.168226|4.935053|6.603096|4.650562|2.865312|3.368779|3.494137|4.161452|19.611329|2.184894|2.019032|1.898680|1.747933|1.700257|1.783445|1.944914|68.420362|0.104907|0.132762|0.133460|0.500000| |7.013758|7.044371|4.832477|4.445704|6.231493|7.848826|12.473358|17.637904|4.769112|3.730291|3.136065|3.105760|3.636917|4.668784|5.070243|3.073259|3.635602|3.824365|4.603637|20.427352|2.284846|2.081642|1.911667|1.748619|1.719162|1.837732|2.029840|74.108829|0.139448|0.208994|0.206003|0.302251|0.500000| |5.729939|6.878660|5.329902|5.288096|7.351331|9.592842|12.254983|17.547728|5.400579|4.453903|3.529667|3.262645|3.590307|4.567204|5.447298|3.168462|3.782522|4.107666|5.108430|20.188991|2.259645|2.028472|1.891417|1.715552|1.656150|1.743660|1.929774|68.565643|0.123551|0.178361|0.142615|0.299776|0.298214|0.500000| |3.081410|4.013718|4.376647|6.417822|12.400806|9.904404|6.581000|4.355563|8.937420|17.767223|8.896762|5.635812|4.955481|5.645929|4.797131|3.067471|3.615092|3.677223|4.268700|21.211997|2.373120|2.186763|2.168568|1.970989|1.826735|1.835614|1.993880|64.955735|0.077687|0.082283|0.079806|0.127899|0.097260|0.122874|0.500000| |2.332258|2.814498|2.921072|3.721955|7.057992|5.707538|4.532692|3.173282|5.660151|8.951044|17.721438|8.910417|5.652652|4.954824|3.402107|2.306382|2.784579|2.769851|3.074219|16.834569|1.975816|1.901169|1.930047|1.817147|1.699331|1.678557|1.767935|56.842189|0.059611|0.062379|0.063056|0.098377|0.075682|0.086067|0.215053|0.500000| |2.238291|2.617073|2.596771|3.110691|5.560662|4.920943|4.266745|3.013573|4.952608|5.638984|8.905450|17.721283|8.911809|5.639849|3.032464|2.097969|2.521062|2.466428|2.706788|15.930294|1.881245|1.861793|1.881468|1.813805|1.735982|1.720362|1.779056|57.519130|0.056952|0.059128|0.062853|0.096347|0.074715|0.077501|0.123950|0.214586|0.500000| |2.710706|3.148253|2.967685|3.413015|5.700316|5.669653|5.319959|3.675504|5.655807|4.951563|5.651084|8.912770|17.717424|8.941234|3.379519|2.335022|2.747529|2.660370|2.941189|18.192859|2.090628|2.079881|2.045137|1.968846|1.927839|1.957160|2.032976|67.240294|0.067686|0.069859|0.079201|0.119746|0.093477|0.088106|0.107567|0.124143|0.214628|0.500000| |4.160022|5.212848|4.545894|5.148374|7.652492|9.705391|10.076005|5.984064|8.919785|5.640703|4.956893|5.639597|8.900648|17.746517|4.744206|3.145252|3.543356|3.437057|3.936709|24.257779|2.589954|2.482305|2.345742|2.178008|2.128483|2.228147|2.409524|82.253830|0.098704|0.101983|0.123771|0.188124|0.146870|0.128250|0.124305|0.107597|0.124020|0.215258|0.500000| |2.833504|3.074479|3.685891|3.396679|6.344481|3.800017|3.647678|2.240738|2.509129|2.337406|2.092857|1.998140|2.101734|2.355010|6.207769|6.634739|9.275637|6.325193|5.450318|56.528852|17.662405|8.894625|7.250608|4.770818|3.988930|4.197789|5.616219|153.701661|0.087216|0.069972|0.073440|0.057876|0.059766|0.060532|0.065988|0.054687|0.050934|0.055074|0.066907|0.500000| |3.163164|3.247400|3.710503|3.206490|5.627314|3.709488|3.744181|2.306664|2.417383|2.192427|1.963769|1.907639|2.049842|2.319478|6.284993|6.701740|9.386432|6.409904|5.519422|56.391197|17.688415|8.827443|5.679965|4.202576|3.942868|4.642678|6.933111|231.865080|0.101341|0.076745|0.083054|0.058880|0.063004|0.061637|0.061007|0.050809|0.048618|0.054398|0.067746|0.302449|0.500000| |2.300090|2.534283|2.927486|2.931853|5.662664|3.420258|3.200461|1.993378|2.397578|2.287195|2.123287|2.056343|2.134232|2.306723|4.399982|4.024516|5.158902|4.128833|3.854960|38.000693|7.124532|8.945269|17.715667|8.942652|5.658699|4.967613|5.681667|129.569431|0.067667|0.057416|0.061497|0.053036|0.052850|0.053296|0.063529|0.056001|0.053245|0.056490|0.064516|0.221574|0.145586|0.500000| |1.892490|2.041219|2.244464|2.274898|4.294064|2.802664|2.660762|1.701722|2.038274|1.958777|1.886884|1.880896|1.949386|2.034074|3.215758|2.746476|3.532770|3.004044|2.874224|24.735907|4.109582|5.620030|8.934739|17.727718|8.905685|5.650170|4.971163|113.062262|0.054727|0.047764|0.051950|0.046114|0.045607|0.045150|0.053393|0.050120|0.049860|0.052932|0.057061|0.113521|0.097127|0.215989|0.500000| |1.841661|1.928211|2.046147|2.021921|3.675872|2.565028|2.515669|1.627094|1.865853|1.756587|1.701513|1.736661|1.840419|1.915634|2.895619|2.433184|3.124582|2.693732|2.596559|21.764114|3.540417|4.918386|5.651051|8.899008|17.724707|8.942744|5.661202|130.909732|0.053340|0.046368|0.051708|0.044135|0.044414|0.042719|0.047213|0.044779|0.046283|0.051121|0.055036|0.090779|0.089873|0.124248|0.213990|0.500000| |2.134923|2.168761|2.257272|2.142473|3.771235|2.729779|2.767210|1.780882|1.939376|1.777067|1.691516|1.732464|1.880366|2.005427|3.224368|2.737105|3.500092|2.988200|2.873191|24.743418|4.071271|5.624593|4.970939|5.648996|8.904801|17.756803|8.943557|223.966060|0.062930|0.053031|0.060802|0.047661|0.049444|0.046368|0.047598|0.043933|0.045621|0.052415|0.059199|0.096684|0.110294|0.107826|0.124056|0.214966|0.500000| 4096.347472 -16054.711189 4966.496234 -267.466709 -7259.334192 3158.858212 -4100.475980 2.001008 409F800000000016 446A836CD431BE25 43ED419291DE9CD9 41C253D080000003 B7E6DDF1FB732A80 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