Version2.1 2020-12-27T16:11:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 15-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(cc(c1)F)n2c(nnc2SCC(=O)N(CCC#N)Cc3ccco3)N4CCOCC4 C19354322 RHF 6-31G(d) (6D,7F) c1cc(cc(c1)F)n2c(nnc2SCC(=O)N(CCC#N)Cc3ccco3)N4CCOCC4 C01[X(C22H23F1N6O3S1)] 162 C1 545 N#CCCN(C(=O)CSc1nnc(n1c1cccc(c1)F)N1CCOCC1)Cc1ccco1 N#CCCN(C(=O)CSc1nnc(n1c1cccc(c1)F)N1CCOCC1)Cc1ccco1 Fc1cccc(c1)n2c(SCC(=O)N(CCC#N)Cc3occc3)nnc2N4CCOCC4 InChIKey=LVZXTNKYMNCZKL-UHFFFAOYSA-N InChI=1S/C22H23FN6O3S/c23-17-4-1-5-18(14-17)29-21(27-9-12-31-13-10-27)25-26-22(29)33-16-20(30)28(8-3-7-24)15-19-6-2-11-32-19/h1-2,4-6,11,14H,3,8-10,12-13,15-16H2 InChI=1/C22H23FN6O3S/c23-17-4-1-5-18(14-17)29-21(27-9-12-31-13-10-27)25-26-22(29)33-16-20(30)28(8-3-7-24)15-19-6-2-11-32-19/h1-2,4-6,11,14H,3,8-10,12-13,15-16H2 c1cc(cc(c1)F)n2c(nnc2SCC(=O)N(CCC#N)Cc3ccco3)N4CCOCC4 C01[X(C22H23F1N6O3S1)] 162 C01 545 N#CCCN(C(=O)CSc1nnc(n1c1cccc(c1)F)N1CCOCC1)Cc1ccco1 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2.2768 3.3094 2.0418 1.7181 1.7155 2.7566 3.0648 4.2554 2.1099 1.7628 3.9263 1.5315 1.2327 1.9823 5.6981 1.2904 2.2370 1.2123 2.0983 2.5845 1.7056 1.4437 1.7306 1.9810 1.7468 1.3299 1.3197 1.2443 1.3790 3.0548 1.3066 1.3682 1.4261 2.4848 1.4170 1.4514 4.3773 1.6333 1.3866 1.5768 1.0902 4.2452 1.1372 1.0862 1.0965 1.1251 1.1170 1.1209 2.7474 4.9506 9.7186 10.0924 6.7837 6.0865 6.0296 11.7075 12.6673 1.0740 1.0699 1.0705 1.0683 1.0695 1.0629 1.0654 1.0649 1.0968 1.1023 1.0978 1.0934 1.0974 1.1048 1.1034 1.0948 1.0896 1.0943 1.0978 1.0947 1.0957 1.0969 1.1063 0.0006 0.0006 0.0026 0.0038 0.0050 0.0060 0.0058 0.0049 0.0105 0.0114 0.0220 0.0132 0.0494 0.0370 0.0466 0.0340 0.0833 0.0801 0.0903 0.1370 0.1586 0.1363 0.2531 0.2235 0.1052 0.2789 0.3247 0.2507 0.2849 0.7544 0.3435 0.3234 0.3235 0.3981 0.4170 0.6301 0.5649 0.5870 0.4909 1.3535 1.6026 1.6473 0.8186 0.7592 0.6439 0.9282 0.7583 1.2491 1.4370 1.3604 2.1978 3.7442 1.0016 1.2200 1.3285 0.5699 2.7765 0.5632 1.8368 0.6676 2.8131 1.8393 0.7214 0.8424 3.2390 3.4421 0.8784 1.3196 1.0862 1.3161 1.9310 2.3728 0.9570 1.1514 2.0390 4.3545 1.2362 2.8482 1.0808 1.3630 2.4718 1.6614 1.7538 2.7086 1.6920 1.4374 1.4641 2.3814 2.6958 3.8649 1.9738 1.6886 3.8095 1.5310 1.2409 2.0090 5.8211 1.3268 2.3978 1.3075 2.2729 2.9334 2.0017 1.7032 2.0624 2.3908 2.1440 1.6370 1.6496 1.5651 1.7634 4.0213 1.7441 1.8718 2.0032 3.5582 2.0361 2.1013 6.3799 2.4306 2.0823 2.4003 1.6832 6.5980 1.7883 1.7190 1.7542 1.8151 1.8221 1.8332 4.5241 8.4818 16.6618 18.9755 12.9931 11.7400 11.7241 25.9452 51.1763 6.4067 6.4143 6.4533 6.5006 6.6245 6.6142 6.7243 6.7400 6.9927 7.0339 7.0158 7.0099 7.0453 7.2288 7.2305 7.2228 7.3520 7.4602 7.5191 7.5602 7.6059 7.6820 7.9141 0.2929 0.1033 0.0553 0.2125 0.1920 0.7527 3.1820 0.3110 1.1997 2.9443 0.4853 6.0503 4.8591 1.4836 1.2358 13.6483 0.2144 3.5026 2.2306 1.3701 4.3272 4.1016 15.4316 2.4964 2.3109 1.4153 2.6965 13.0591 3.3807 5.6514 3.0576 3.7620 2.5143 1.7687 12.0995 5.1875 0.9754 2.0524 1.0469 6.8827 7.6921 5.9591 13.3862 22.7516 13.7742 6.0684 9.1270 21.3089 8.0099 11.1664 6.3312 4.5219 26.3115 5.6525 11.7020 17.0137 12.2746 58.3455 3.9610 49.2754 7.3493 10.7397 12.6249 0.5955 46.4301 5.9711 31.6321 3.9467 4.2388 10.1100 6.3515 63.3558 6.3447 3.8545 27.1167 2.3587 19.7993 6.4341 11.8579 12.8533 22.7886 4.7321 1.0718 3.9812 25.2327 5.3167 2.3692 81.4451 6.5558 9.9710 0.3461 17.4744 98.8455 14.7274 118.5860 48.6854 41.7260 131.7758 11.4805 5.8859 36.1165 16.5485 86.9112 106.4974 21.1944 73.7825 13.9260 4.0440 12.1607 20.7595 40.0102 26.0284 3.0809 26.5999 52.4131 25.9204 32.4992 20.3422 127.9190 2.5689 74.2826 233.3873 11.1659 45.6811 53.5500 1.5949 1.9015 18.5568 4.7024 44.9732 94.6281 45.1307 151.5198 235.6454 113.5366 2.0097 116.3063 336.4851 12.6286 30.8444 14.6235 78.2384 43.3086 23.1949 14.0541 8.0877 24.2943 50.3336 6.3903 62.8001 26.9751 18.4508 14.2137 3.8041 2.4815 6.7397 5.1282 3.4927 0.0039 6.2247 1.9039 2.5898 0.2849 0.2096 0.8845 0.7486 2.6157 1.9542 5.3890 1.0258 0.9668 2.6051 0.7273 0.7565 0.6089 1.9268 0.8615 0.2512 2.5730 0.7099 0.7460 1.7641 3.0944 0.7855 2.7026 3.0676 0.1968 2.7176 2.5932 1.1252 1.3379 0.5894 0.8567 1.9112 3.0970 2.7799 1.2702 1.1755 0.2503 1.4293 1.0424 4.0593 1.7322 3.4606 3.7892 1.1122 0.5104 1.8367 1.0973 2.5485 0.5543 2.7822 4.5278 1.6471 5.6978 4.5731 3.8471 2.3504 1.8627 1.6714 13.7193 0.7466 41.0142 10.6751 2.1084 2.5577 3.2391 5.8613 1.0453 1.5612 2.3446 0.2352 1.1209 1.4778 1.0115 1.0550 8.1739 28.6617 1.4778 13.1148 1.5192 2.1402 9.4789 5.1959 1.1312 1.3072 3.3161 4.6962 0.1997 9.2124 1.8725 6.8933 3.9935 7.9753 0.2386 2.6680 6.8290 16.2394 7.5554 6.4719 13.8066 5.9334 4.5075 0.5717 5.0875 8.0829 2.1306 5.9037 1.1097 3.8026 7.6741 18.5655 14.3097 20.5949 4.4930 3.9445 1.1009 11.3203 2.8887 8.9888 23.2758 2.9199 1.2529 23.0205 6.5230 13.1392 12.4879 17.3623 6.5145 3.6089 7.2034 10.8183 5.0964 62.9589 44.3732 66.1487 22.5154 24.4936 33.5826 9.9287 71.1558 60.2732 47.3262 90.6807 45.0710 23.4521 133.1639 29.4950 103.0913 108.1955 59.4076 149.4884 54.1701 69.7797 21.1502 30.7979 46.6915 60.0807 45.4111 193.6344 45.2704 70.6432 94.2299 109.2813 0.7496 0.7454 0.7360 0.7174 0.7298 0.7434 0.7490 0.6883 0.7330 0.7489 0.5718 0.7247 0.7196 0.7494 0.6461 0.6684 0.3928 0.3339 0.6757 0.4250 0.7464 0.5396 0.7196 0.7196 0.5231 0.6265 0.3576 0.2942 0.4351 0.7233 0.5350 0.6200 0.6060 0.7244 0.7472 0.1362 0.0405 0.7409 0.7497 0.3687 0.3402 0.4804 0.5403 0.2969 0.5489 0.3721 0.7446 0.6431 0.6364 0.7481 0.3018 0.3995 0.4496 0.0686 0.2431 0.1578 0.5355 0.7019 0.6857 0.7336 0.1602 0.2195 0.7071 0.7301 0.2486 0.7376 0.6506 0.1746 0.5144 0.7500 0.7452 0.6122 0.7398 0.6590 0.0820 0.0868 0.4919 0.3185 0.6995 0.5226 0.7135 0.7495 0.3727 0.7364 0.7483 0.5207 0.6595 0.2547 0.6455 0.7403 0.1826 0.2336 0.3044 0.7335 0.7282 0.2661 0.7435 0.7211 0.6215 0.7410 0.7208 0.6449 0.7440 0.5074 0.1670 0.5453 0.7436 0.4326 0.7098 0.7091 0.6103 0.1989 0.6535 0.5147 0.1998 0.5984 0.0990 0.7457 0.1084 0.6720 0.6400 0.4700 0.7497 0.1415 0.7485 0.7500 0.7459 0.6054 0.7419 0.6457 0.1174 0.3228 0.1512 0.3363 0.3237 0.3088 0.5161 0.3556 0.2850 0.2260 0.2523 0.1244 0.2460 0.6294 0.0414 0.4608 0.0589 0.6975 0.6496 0.2009 0.4700 0.2787 0.7234 0.4947 0.3381 0.7147 0.7260 0.1476 0.2857 0.6717 0.2843 0.1546 0.8569 0.8542 0.8479 0.8354 0.8438 0.8528 0.8565 0.8154 0.8459 0.8564 0.7276 0.8404 0.8369 0.8568 0.7850 0.8012 0.5641 0.5006 0.8065 0.5965 0.8548 0.7009 0.8369 0.8369 0.6869 0.7704 0.5268 0.4546 0.6064 0.8394 0.6971 0.7655 0.7547 0.8402 0.8553 0.2397 0.0779 0.8511 0.8569 0.5387 0.5077 0.6490 0.7015 0.4578 0.7087 0.5424 0.8536 0.7828 0.7778 0.8559 0.4637 0.5709 0.6203 0.1283 0.3912 0.2725 0.6975 0.8248 0.8136 0.8463 0.2762 0.3599 0.8284 0.8440 0.3983 0.8490 0.7883 0.2973 0.6793 0.8571 0.8540 0.7595 0.8504 0.7945 0.1516 0.1598 0.6595 0.4831 0.8232 0.6865 0.8328 0.8568 0.5430 0.8482 0.8560 0.6849 0.7948 0.4060 0.7846 0.8508 0.3088 0.3787 0.4667 0.8462 0.8427 0.4204 0.8529 0.8380 0.7666 0.8512 0.8378 0.7842 0.8532 0.6732 0.2862 0.7058 0.8530 0.6039 0.8303 0.8298 0.7580 0.3318 0.7905 0.6796 0.3331 0.7488 0.1802 0.8544 0.1956 0.8038 0.7805 0.6394 0.8570 0.2479 0.8562 0.8571 0.8545 0.7542 0.8519 0.7847 0.2101 0.4881 0.2626 0.5033 0.4891 0.4719 0.6808 0.5246 0.4436 0.3687 0.4030 0.2213 0.3948 0.7726 0.0795 0.6309 0.1112 0.8218 0.7876 0.3346 0.6395 0.4360 0.8395 0.6619 0.5053 0.8336 0.8412 0.2572 0.4444 0.8036 0.4427 0.2678 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 6 6 6 6 6 9 7 6 7 7 6 16 6 6 8 7 6 6 6 7 6 6 6 6 6 8 7 6 6 8 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 14.00307 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 15.99491 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 8973.7914 36485.3105 40709.6086 0.99997 0.00590 0.00442 -0.00584 0.99989 -0.01374 -0.00450 0.01372 0.99990 1 0.00965 0.00237 0.00213 0.20111 0.04946 0.04433 16.07 18.27 33.16 40.94 48.53 57.46 63.20 69.10 78.17 87.94 101.16 117.76 127.62 145.99 184.55 188.92 229.86 242.14 254.29 296.58 318.31 369.21 387.10 396.18 407.44 432.75 459.56 466.64 490.16 528.89 573.82 600.23 612.04 644.57 658.75 675.88 725.74 746.02 759.72 776.96 782.12 811.49 828.80 875.31 900.01 906.24 949.50 990.29 1029.99 1041.07 1068.02 1101.95 1116.92 1134.65 1179.67 1199.81 1216.81 1241.03 1263.16 1288.00 1311.25 1348.10 1354.68 1359.24 1388.00 1399.31 1421.76 1447.42 1453.30 1460.14 1472.34 1472.87 1477.12 1480.57 1496.76 1576.06 1581.72 1593.34 1599.04 1600.63 1601.94 1622.18 1645.15 1695.77 1706.31 1714.51 1731.62 1742.18 1757.99 1786.37 1812.93 1834.52 1846.34 1874.13 1880.67 1887.00 1894.54 1900.65 1940.65 1946.62 1950.86 1996.93 2030.64 2035.97 2046.24 2059.23 2076.58 2079.65 2095.62 2102.17 2119.61 2150.62 2165.65 2192.43 2221.60 2243.04 2246.88 2255.36 2262.94 2286.60 2297.07 2312.61 2329.06 2336.81 2350.58 2358.10 2370.85 2380.78 2394.03 2397.13 2405.31 2453.49 2454.30 2570.21 2594.13 2603.27 2613.74 2790.38 3767.56 4578.14 4589.52 4602.23 4623.76 4664.93 4675.89 4709.13 4715.63 4732.86 4735.06 4738.48 4745.99 4749.37 4794.72 4798.33 4814.55 4868.87 4894.07 4905.59 4925.90 4938.42 4960.56 5013.34 0.474461 0.502856 0.503800 0.408251 -1894.179908 -1894.151513 -1894.150569 -1894.246117 3.204696D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE c1cc(cc(c1)F)n2c(nnc2SCC(=O)N(CCC#N)Cc3ccco3)N4CCOCC4 C19354322 RHF 6-31G(d) (6D,10F) C1 470.153639 |X|Y|Z| 60.422779 37.787420 135.105088 67.567816 27 6 7 8 16 19 5 2 1 |36.858105| |13.738301|36.858105| |7.960217|13.750610|36.858105| |6.859602|7.901590|13.739952|36.858105| |8.027900|6.934619|8.036789|13.840255|36.858105| |13.771755|7.914164|6.871150|7.885189|13.810776|36.858105| |5.317298|4.675745|5.323189|8.195530|14.354221|8.170940|97.533100| |5.152568|7.834772|13.375217|7.854326|5.184958|4.539282|9.024260|53.358707| |3.975975|5.326420|7.549439|6.012513|4.253648|3.683168|7.966199|18.844634|36.858105| |3.263582|4.199631|5.351667|4.470772|3.394815|3.022338|6.602632|11.886821|14.907285|53.358707| |3.344127|4.366455|5.362194|4.308990|3.326584|3.029357|6.401354|11.898111|8.894284|18.895800|53.358707| |4.217937|5.921108|7.591730|5.440791|4.047590|3.701819|7.432976|18.910008|8.847926|12.108362|20.301016|36.858105| |4.250357|5.569757|5.920819|4.564681|3.761217|3.649248|6.970548|9.411134|4.933029|6.708168|9.524469|10.819605|388.023441| |3.033029|3.693758|3.934143|3.309927|2.814843|2.713416|5.510787|6.467794|4.036588|6.162290|9.140578|7.140283|74.680429|36.858105| |2.728751|3.154071|3.214337|2.807532|2.498657|2.463240|4.982147|4.873129|3.087525|4.530594|5.955355|4.700941|49.915292|12.533875|36.858105| |2.912752|3.290639|3.238510|2.839535|2.589971|2.609545|5.142026|4.667354|2.886966|4.074762|5.150422|4.283798|48.365694|8.047498|15.891292|73.516695| |2.284732|2.586605|2.652256|2.377390|2.139047|2.099304|4.355189|4.018308|2.665712|3.980977|5.029107|3.720242|33.902962|7.754069|13.968044|15.055618|53.358707| |2.084868|2.371118|2.482167|2.242992|1.998098|1.934401|4.104511|3.856998|2.663243|4.115317|5.148959|3.557571|29.043426|6.617045|7.640856|9.433172|17.882187|36.858105| |1.963083|2.206034|2.359705|2.194920|1.955809|1.862265|4.084872|3.640365|2.552922|3.938062|4.782885|3.275539|25.680657|5.254359|5.630250|7.684423|10.461880|12.375409|36.858105| |1.767454|1.978310|2.124698|1.992712|1.778165|1.686768|3.747190|3.293016|2.388153|3.733798|4.355645|2.884430|21.250475|4.060044|4.053239|5.845643|6.879251|7.660615|12.943646|36.858105| |1.632724|1.818761|1.952995|1.842838|1.650477|1.564466|3.499858|3.020434|2.233021|3.496761|3.950440|2.588714|18.524977|3.378768|3.305861|4.920266|5.369304|5.493562|7.308860|16.787398|53.358707| |2.064636|2.272830|2.286124|2.084420|1.922114|1.910538|3.959470|3.351544|2.235337|3.263358|3.940457|2.956601|26.426982|5.006378|7.857369|12.463352|17.762849|7.681815|5.800146|4.213920|4.676015|36.858105| |1.903334|2.086158|2.068197|1.876406|1.742186|1.749321|3.590785|3.027965|2.048603|2.991532|3.540172|2.623293|22.538078|4.095294|5.599105|9.226173|10.526342|6.143618|4.534011|3.695326|4.305865|12.743368|36.858105| |1.680124|1.824001|1.812885|1.663085|1.553558|1.557683|3.233148|2.644736|1.820041|2.658330|3.073141|2.246081|18.533121|3.249287|4.064615|6.766178|7.193795|4.919484|3.960131|3.468309|4.186339|7.329644|14.194659|36.858105| |1.632703|1.768161|1.736073|1.583465|1.486001|1.503014|3.084443|2.523652|1.743660|2.534554|2.895743|2.118361|17.235755|2.927378|3.504329|5.960396|5.707655|3.960092|3.196472|2.906776|3.616789|5.136956|8.564562|13.221769|36.858105| |1.803714|1.966163|1.906717|1.715031|1.606742|1.638131|3.301273|2.772274|1.894116|2.742871|3.165431|2.342752|19.422995|3.286894|3.975961|6.865225|6.191716|4.078138|3.164992|2.816621|3.471202|5.336953|8.780641|8.609443|14.236488|36.858105| |2.012266|2.215169|2.154263|1.923560|1.789229|1.819347|3.650844|3.146712|2.114354|3.067428|3.629919|2.719837|23.545344|4.148641|5.470149|9.398963|8.735365|5.137317|3.766503|3.173873|3.788161|7.854699|14.156955|8.643929|8.627336|14.166694|73.516695| |3.788645|4.716933|6.326209|5.818178|4.307273|3.663210|8.325552|10.713371|13.762227|10.884808|7.419111|5.458589|26.416256|3.124688|2.529026|4.283166|3.041162|2.236471|2.172149|2.066235|2.670337|1.924836|1.784087|1.607989|1.550919|1.672355|3.268654|53.358707| |3.976437|4.843512|5.693041|5.033985|4.100911|3.727182|7.838507|8.375843|7.904723|7.611820|5.877825|4.477347|23.568472|2.779046|2.311667|3.979297|2.787486|2.030077|1.940257|1.847458|2.397203|1.792611|1.688115|1.528356|1.493464|1.619829|3.134270|17.689054|36.858105| |3.461032|3.846232|4.352183|4.317459|3.806443|3.441612|7.741129|5.895918|5.149641|5.522428|4.471780|3.376805|19.047830|2.299362|1.971206|3.421709|2.414445|1.761645|1.707135|1.639910|2.145691|1.579006|1.491947|1.364828|1.335067|1.435303|2.752168|10.684421|12.539556|36.858105| |2.808085|3.103462|3.542862|3.576907|3.150992|2.822329|6.664998|5.041768|4.596638|5.304608|4.208712|3.041502|17.190094|2.151951|1.849057|3.174782|2.300000|1.703921|1.669238|1.627230|2.150450|1.505042|1.424670|1.312934|1.281964|1.367074|2.608336|9.259397|7.920260|13.632564|73.516695| |2.736815|3.063344|3.663641|3.805083|3.230499|2.790039|6.930868|5.402160|5.172113|6.054847|4.643170|3.279422|18.119960|2.289690|1.946786|3.310867|2.426650|1.812637|1.801044|1.761889|2.329518|1.575307|1.476685|1.358734|1.314839|1.395323|2.677678|10.709629|6.773017|8.190533|24.180475|36.858105| |2.945014|3.467211|4.323903|4.241986|3.382448|2.913229|6.969482|7.069976|7.974311|9.299228|6.297239|4.246609|21.807124|2.760412|2.270471|3.800680|2.806426|2.112061|2.087240|2.035082|2.673931|1.786665|1.665022|1.519300|1.464104|1.560758|3.021146|17.725974|7.885896|6.760053|14.055424|12.541971|36.858105| |17.734906|8.931900|5.659676|4.946416|5.687379|8.941410|9.618259|5.684683|3.363295|3.893591|4.022546|3.622397|26.974883|2.809405|2.595934|4.994298|2.981422|1.986748|1.854559|1.672040|2.106563|2.010242|1.876180|1.660831|1.628509|1.808076|3.561957|4.379217|3.452785|3.064256|4.484927|2.426084|2.583504|0.500000| |8.887153|17.746077|8.925558|5.636013|4.986225|5.633305|8.326627|9.794200|5.094144|5.750210|6.163073|6.083316|42.115713|3.956373|3.360417|6.223802|3.721053|2.494165|2.265382|2.028884|2.535860|2.391417|2.223726|1.933372|1.892193|2.132920|4.277005|5.939429|4.606541|3.578652|5.219610|2.866287|3.287539|0.214627|0.500000| |4.949365|5.621706|8.860219|17.771129|8.944928|5.633992|16.714414|9.737298|6.250272|6.425121|5.973913|5.212178|29.838045|3.221942|2.713952|4.784081|3.180633|2.243725|2.239326|2.052085|2.593654|2.039963|1.828566|1.629867|1.542787|1.655928|3.294100|8.493378|4.883709|4.315226|6.672005|4.233451|4.756631|0.107486|0.123822|0.500000| |8.847160|5.619205|4.953728|5.640632|8.959726|17.746819|16.722867|4.920359|3.060808|3.518769|3.525358|3.072449|21.980530|2.390773|2.220558|4.207714|2.612782|1.769285|1.710475|1.555956|1.971870|1.774112|1.633483|1.464960|1.417223|1.537983|3.014482|4.202704|3.174026|3.044306|4.524547|2.497791|2.550051|0.213100|0.123517|0.124495|0.500000| |2.882898|3.536345|3.701088|3.068265|2.618227|2.548391|5.126492|6.231203|4.061080|6.417864|9.510430|6.722991|56.498827|17.619335|8.858307|11.161475|9.268780|6.501592|4.829221|3.980388|4.622339|4.600065|4.079268|3.286435|3.047168|3.477942|7.658175|4.276418|2.842295|2.327029|3.885525|2.303249|2.796815|0.075040|0.108583|0.082760|0.062584|0.500000| |2.817930|3.390182|3.776421|3.295610|2.766048|2.595348|5.510344|6.338201|4.141911|6.575476|9.845438|6.882253|56.590649|17.652549|8.774323|10.848247|9.478661|6.912263|6.213767|4.737235|5.253369|4.590391|3.712536|3.048593|2.706905|2.937845|6.392706|4.354187|2.757960|2.301606|3.891762|2.376785|2.894555|0.071654|0.097502|0.092197|0.063695|0.304069|0.500000| |1.900425|2.136352|2.207009|2.003864|1.807214|1.763972|3.733448|3.383951|2.363867|3.621171|4.375628|3.027767|24.235705|5.000599|5.810713|7.942708|12.583790|17.613096|8.838549|7.089153|7.463328|7.475188|7.133153|6.098899|4.741355|4.663157|10.046794|2.752352|1.862336|1.630739|2.814159|1.671206|1.925463|0.050816|0.062690|0.055519|0.045180|0.143849|0.139401|0.500000| |2.185359|2.531945|2.673556|2.377216|2.086222|2.011542|4.249659|4.282418|2.995916|4.773349|6.146222|4.056659|31.563241|7.650603|7.145919|8.800607|12.374478|17.655588|8.832522|6.935725|7.284414|5.689697|5.000891|4.133522|3.577841|3.798820|8.247814|3.362896|2.230078|1.908351|3.285667|1.969410|2.332870|0.057529|0.074675|0.066134|0.050694|0.236707|0.225330|0.305690|0.500000| |2.114612|2.392303|2.611690|2.444817|2.150648|2.019556|4.489460|4.065878|2.835888|4.389447|5.417239|3.708658|28.830873|5.866663|5.813727|7.949916|9.305759|8.757625|17.587522|9.132494|8.284325|5.021578|3.880636|3.350509|2.793761|2.828243|5.989887|3.245058|2.091113|1.832384|3.182173|1.952410|2.282596|0.054834|0.067420|0.070023|0.051180|0.140691|0.214502|0.173118|0.211926|0.500000| |1.862119|2.059163|2.179930|2.051831|1.856812|1.777817|3.909648|3.281913|2.283542|3.440263|4.087201|2.882531|23.098198|4.419125|5.104360|7.421201|9.594666|8.773534|17.585436|9.155189|8.314343|6.279274|4.711964|4.199844|3.263821|3.148470|6.632150|2.686721|1.779421|1.582800|2.746461|1.659266|1.894543|0.049165|0.058439|0.057952|0.045744|0.111384|0.137498|0.209002|0.173216|0.303219|0.500000| |1.903193|2.076525|2.112832|1.959833|1.813104|1.787175|3.780951|3.088460|2.087528|3.051875|3.624639|2.684998|23.143210|4.256377|5.960312|9.541568|12.398869|7.090869|6.334849|4.570656|5.019367|17.572583|9.057508|6.943013|4.657993|4.460082|10.233614|2.471137|1.682158|1.495909|2.553880|1.511463|1.704936|0.051291|0.059898|0.053846|0.046346|0.108272|0.115223|0.198279|0.142220|0.146412|0.218001|0.500000| |2.179329|2.372903|2.356398|2.153053|2.007127|2.013682|4.126044|3.382254|2.216771|3.174619|3.814167|2.950059|27.385512|4.804851|7.772244|15.121724|12.598864|5.671434|4.682117|3.518291|3.999136|17.679675|8.964086|5.830753|4.495851|4.845157|12.431454|2.608047|1.793303|1.583253|2.662374|1.561743|1.760712|0.059261|0.069132|0.057986|0.052110|0.118827|0.119403|0.147624|0.128070|0.121098|0.140530|0.302523|0.500000| |1.575396|1.701627|1.705578|1.581862|1.480161|1.475198|3.104928|2.484041|1.722068|2.517048|2.883564|2.094580|17.025981|2.958115|3.616499|6.003177|6.393192|4.601689|3.995932|3.582997|4.362233|6.344221|8.824308|17.788891|8.439302|5.858067|10.460903|2.083424|1.448454|1.302126|2.239062|1.308707|1.457709|0.043105|0.049622|0.043358|0.038659|0.082012|0.079249|0.158312|0.105993|0.092662|0.122601|0.193377|0.142285|0.500000| |1.503388|1.618293|1.589275|1.458107|1.374189|1.390227|2.866941|2.302196|1.604612|2.327162|2.620732|1.908324|15.228006|2.532004|2.934036|5.016999|4.658388|3.335716|2.800752|2.627444|3.344481|4.031292|5.838641|8.433114|17.804156|8.830021|10.449405|1.961183|1.393704|1.254442|2.149552|1.237037|1.368942|0.041747|0.047954|0.039547|0.036574|0.073371|0.065896|0.109612|0.085375|0.068572|0.079503|0.105836|0.100566|0.192858|0.500000| |1.817058|1.977211|1.894936|1.694972|1.593913|1.638010|3.263995|2.742729|1.875299|2.698038|3.084746|2.293129|18.814547|3.079962|3.584538|6.298450|5.270875|3.511086|2.778761|2.511528|3.136579|4.275590|6.038587|5.819208|8.618852|17.837564|16.502606|2.264794|1.630028|1.443912|2.436297|1.388027|1.547889|0.051011|0.060137|0.045200|0.042778|0.091923|0.075903|0.107934|0.094353|0.070438|0.075815|0.100796|0.112399|0.123132|0.195140|0.500000| |3.473431|4.217532|4.676686|4.031214|3.383123|3.180660|6.572170|7.259862|6.904083|7.559300|5.817491|4.231649|22.487891|2.745710|2.282200|3.893737|2.778163|2.043330|1.933015|1.857039|2.423585|1.785136|1.700201|1.545197|1.520685|1.652611|3.175898|12.289777|17.484896|8.867618|12.527431|5.879596|7.046506|0.086730|0.118346|0.108914|0.076783|0.079977|0.075272|0.052444|0.062919|0.057291|0.049023|0.046420|0.049247|0.040576|0.039513|0.046424|0.500000| |5.014467|6.336451|7.044406|5.762039|4.750062|4.482721|8.595478|9.261412|7.251929|6.921109|5.801634|4.735859|25.643894|2.893809|2.421088|4.233268|2.875104|2.056822|1.946529|1.828403|2.353289|1.854643|1.744512|1.569158|1.536422|1.679081|3.263686|12.369445|17.618148|8.900231|10.176609|5.044973|5.682332|0.118514|0.164664|0.142502|0.103034|0.081653|0.078087|0.052338|0.062412|0.058193|0.049827|0.048005|0.052012|0.041110|0.039701|0.047103|0.300636|0.500000| |3.297598|3.567549|3.796843|3.693657|3.410282|3.229700|6.965813|5.052664|4.202650|4.710938|3.953339|2.994799|17.472726|2.125614|1.847765|3.227019|2.272976|1.653571|1.591929|1.531456|2.008543|1.499458|1.429265|1.312550|1.292957|1.392210|2.651473|7.692810|8.863140|17.609139|16.917502|5.884378|5.037388|0.083496|0.094331|0.099664|0.081046|0.060170|0.058484|0.042849|0.049598|0.047046|0.041177|0.039402|0.041824|0.034732|0.033861|0.039128|0.216359|0.211002|0.500000| |3.734780|4.003212|4.603878|4.929798|4.466466|3.900661|9.263962|5.837400|4.818142|5.103688|4.258349|3.300803|19.006159|2.257736|1.952020|3.418596|2.381650|1.723864|1.682812|1.606279|2.093644|1.564370|1.468052|1.340981|1.305988|1.401361|2.696363|9.570207|8.884462|17.501631|16.544316|7.278369|5.878577|0.090127|0.099287|0.137486|0.095820|0.062440|0.062917|0.044200|0.051418|0.050425|0.043598|0.041276|0.043842|0.035616|0.034053|0.039040|0.173865|0.217375|0.300149|0.500000| |2.369753|2.620125|3.060297|3.164238|2.751032|2.413583|6.006370|4.532758|4.221348|5.298500|4.159062|2.878388|16.273058|2.111700|1.812885|3.070113|2.289816|1.727199|1.728032|1.712180|2.285931|1.493585|1.406006|1.302929|1.261482|1.330690|2.538910|7.705321|5.044571|5.888368|16.911700|17.612017|8.865917|0.059251|0.069046|0.097398|0.060964|0.059238|0.061269|0.044505|0.052029|0.051781|0.044282|0.040030|0.040938|0.035003|0.033100|0.036728|0.131862|0.110480|0.132292|0.147651|0.500000| |2.838191|3.111627|3.779791|4.175159|3.574861|2.989550|7.909295|5.333163|4.832718|5.532009|4.409589|3.203319|18.033944|2.246952|1.926319|3.301704|2.392881|1.773111|1.776310|1.725591|2.271409|1.560006|1.452329|1.334500|1.285784|1.361990|2.622163|9.578427|5.887273|7.283478|16.547805|17.500916|8.867629|0.069134|0.078867|0.133820|0.074524|0.061785|0.064964|0.045275|0.053013|0.053801|0.045751|0.041704|0.043207|0.035787|0.033571|0.037530|0.134717|0.132015|0.147672|0.217416|0.300272|0.500000| |2.783439|3.254343|4.123127|4.167761|3.294503|2.790931|6.916847|6.834873|7.387132|9.559245|6.577551|4.310838|22.183412|2.864113|2.345588|3.891060|2.915809|2.214469|2.229934|2.183461|2.869699|1.845841|1.703355|1.554016|1.484045|1.572255|3.056869|12.454158|5.693752|5.039513|10.146994|8.863959|17.617434|0.067743|0.085196|0.136142|0.068130|0.079452|0.085659|0.055669|0.067836|0.068608|0.056010|0.049271|0.050346|0.041628|0.038483|0.042984|0.143355|0.127226|0.110373|0.131922|0.209769|0.216309|0.500000| 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