Version2.0 2020-02-28T20:11:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 16-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)c(c[nH]2)[C@@H](C(=O)NC3CCCC3)N(Cc4ccco4)C(=O)c5c(c(ns5)C(=O)N)N C12467833 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)c(c[nH]2)[C@@H](C(=O)NC3CCCC3)N(Cc4ccco4)C(=O)c5c(c(ns5)C(=O)N)N C01[X(C25H26N6O4S1)] 180 C1 596 O=C([C@H](c1c[nH]c2c1cccc2)N(C(=O)c1snc(c1N)C(=O)N)Cc1ccco1)NC1CCCC1 O=C([C@H](c1c[nH]c2c1cccc2)N(C(=O)c1snc(c1N)C(=O)N)Cc1ccco1)NC1CCCC1 NC(=O)c1nsc(c1N)C(=O)N(Cc2occc2)[C@H](C(=O)NC3CCCC3)c4c[nH]c5ccccc45 InChIKey=DKPPGKSAMWGZNC-NRFANRHFSA-N InChI=1S/C25H26N6O4S/c26-19-20(23(27)32)30-36-22(19)25(34)31(13-15-8-5-11-35-15)21(24(33)29-14-6-1-2-7-14)17-12-28-18-10-4-3-9-16(17)18/h3-5,8-12,14,21,28H,1-2,6-7,13,26H2,(H2,27,32)(H,29,33)/t21-/m0/s1 InChI=1/C25H26N6O4S/c26-19-20(23(27)32)30-36-22(19)25(34)31(13-15-8-5-11-35-15)21(24(33)29-14-6-1-2-7-14)17-12-28-18-10-4-3-9-16(17)18/h3-5,8-12,14,21,28H,1-2,6-7,13,26H2,(H2,27,32)(H,29,33)/t21-/m0/s1/f/h29H,27H2 c1ccc2c(c1)c(c[nH]2)[C@@H](C(=O)NC3CCCC3)N(Cc4ccco4)C(=O)c5c(c(ns5)C(=O)N)N C01[X(C25H26N6O4S1)] 180 C01 596 O=C([C@H](c1c[nH]c2c1cccc2)N(C(=O)c1snc(c1N)C(=O)N)Cc1ccco1)NC1CCCC1 O=C([C@H](c1c[nH]c2c1cccc2)N(C(=O)[C@H]1SN[C@H]([C@@H]1N)C(=O)N)Cc1ccco1)NC1CCCC1 N[C@H]1[C@@H](NS[C@@H]1C(=O)N(Cc2occc2)[C@H](C(=O)NC3CCCC3)c4c[nH]c5ccccc45)C(N)=O InChIKey=YMJDGPQFOSECSI-LRSLUSHPSA-N InChI=1S/C25H30N6O4S/c26-19-20(23(27)32)30-36-22(19)25(34)31(13-15-8-5-11-35-15)21(24(33)29-14-6-1-2-7-14)17-12-28-18-10-4-3-9-16(17)18/h3-5,8-12,14,19-22,28,30H,1-2,6-7,13,26H2,(H2,27,32)(H,29,33)/t19-,20+,21-,22-/m0/s1 InChI=1/C25H30N6O4S/c26-19-20(23(27)32)30-36-22(19)25(34)31(13-15-8-5-11-35-15)21(24(33)29-14-6-1-2-7-14)17-12-28-18-10-4-3-9-16(17)18/h3-5,8-12,14,19-22,28,30H,1-2,6-7,13,26H2,(H2,27,32)(H,29,33)/t19-,20+,21-,22-/m0/s1/f/h29H,27H2 4191.3932442100 -1985.5118855 1-A 18287.3622 133 463 596 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.01019 -20.62639 -20.54763 -20.54259 -20.52074 -15.62346 -15.60211 -15.60206 -15.59120 -15.57181 -15.56351 -11.37684 -11.37135 -11.34336 -11.30933 -11.30095 -11.28396 -11.28300 -11.28286 -11.28103 -11.26526 -11.26328 -11.26075 -11.25237 -11.22800 -11.22640 -11.22496 -11.22472 -11.22299 -11.22150 -11.21964 -11.21714 -11.21535 -11.21469 -11.21345 -11.20883 -9.01704 -6.69980 -6.69809 -6.69645 -1.46930 -1.41481 -1.41042 -1.38715 -1.31654 -1.30104 -1.26177 -1.23383 -1.23067 -1.21907 -1.13274 -1.11235 -1.08562 -1.08471 -1.06860 -1.04646 -1.01357 -1.00468 -0.99588 -0.97213 -0.96431 -0.94804 -0.94037 -0.87083 -0.86323 -0.84285 -0.81984 -0.81436 -0.80290 -0.79237 -0.78887 -0.77645 -0.77157 -0.76157 -0.75031 -0.74709 -0.73273 -0.71993 -0.70815 -0.70011 -0.69216 -0.67381 -0.66866 -0.65931 -0.65257 -0.64981 -0.64549 -0.64059 -0.63092 -0.62435 -0.61927 -0.61469 -0.60911 -0.60314 -0.59694 -0.59599 -0.58293 -0.57888 -0.57615 -0.57344 -0.56832 -0.56478 -0.55961 -0.55289 -0.54922 -0.54611 -0.53841 -0.53234 -0.51733 -0.51478 -0.50466 -0.49010 -0.48703 -0.48482 -0.48072 -0.47747 -0.46894 -0.46464 -0.46403 -0.45561 -0.44282 -0.43389 -0.42999 -0.42179 -0.39149 -0.38893 -0.38271 -0.37069 -0.36876 -0.31681 -0.30958 -0.29800 -0.28262 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0.22972 0.23774 0.24315 0.24412 0.24716 0.25035 0.25885 0.26752 0.27058 0.28224 0.28901 0.29047 0.29447 0.30034 0.30154 0.30596 0.31257 0.31599 0.31853 0.32719 0.32983 0.33252 0.33699 0.34056 0.34410 0.34479 0.35010 0.35927 0.37401 0.37466 0.38037 0.38544 0.39599 0.40017 0.40324 0.40542 0.41313 0.41774 0.42268 0.42585 0.43322 0.44659 0.45145 0.45468 0.46586 0.47540 0.48193 0.49225 0.49429 0.50274 0.50670 0.51281 0.51309 0.52508 0.52762 0.54489 0.55261 0.55864 0.57174 0.58525 0.58841 0.60815 0.61148 0.63311 0.64149 0.65447 0.66320 0.66949 0.67289 0.68407 0.70818 0.71328 0.71502 0.72360 0.73644 0.73727 0.74234 0.74634 0.75085 0.75713 0.76275 0.76654 0.77275 0.78040 0.78419 0.79300 0.79799 0.80365 0.80840 0.80891 0.81421 0.81657 0.82426 0.83100 0.83382 0.83906 0.84051 0.84361 0.84714 0.85882 0.86164 0.86361 0.86849 0.87565 0.87799 0.88582 0.89037 0.89424 0.90179 0.90521 0.90798 0.91270 0.92640 0.92879 0.93217 0.93715 0.93946 0.94308 0.94407 0.94619 0.95376 0.95673 0.96719 0.97273 0.97654 0.98450 0.99035 0.99720 0.99851 1.01088 1.02273 1.02847 1.03720 1.04398 1.05482 1.06187 1.06711 1.07381 1.08281 1.08804 1.09323 1.09491 1.10264 1.10553 1.11223 1.11662 1.11900 1.12541 1.12968 1.13309 1.14013 1.14696 1.14965 1.15205 1.15962 1.16171 1.16431 1.16747 1.17112 1.17563 1.17719 1.18078 1.18624 1.19169 1.19402 1.19996 1.20032 1.21007 1.21474 1.22452 1.22489 1.22905 1.23192 1.23594 1.23767 1.24276 1.24615 1.25845 1.26364 1.26641 1.27338 1.27549 1.28551 1.29020 1.29817 1.30597 1.31253 1.31832 1.32787 1.33456 1.33729 1.34616 1.35593 1.36214 1.36941 1.37619 1.37941 1.39308 1.40034 1.40527 1.42411 1.43397 1.44248 1.44932 1.46063 1.46341 1.48417 1.49451 1.49678 1.50011 1.51159 1.52075 1.52901 1.54082 1.54844 1.55517 1.55849 1.56329 1.58429 1.59790 1.60337 1.61187 1.61574 1.62882 1.63415 1.64625 1.64928 1.65329 1.66165 1.66641 1.67869 1.68457 1.69264 1.70162 1.71472 1.73142 1.73584 1.74285 1.74540 1.75133 1.77285 1.78610 1.78775 1.79454 1.79883 1.80822 1.82056 1.83985 1.84938 1.85273 1.86004 1.86874 1.87696 1.88675 1.89323 1.89790 1.91548 1.92987 1.93225 1.96943 1.97314 1.98161 2.00746 2.03923 2.04626 2.05063 2.05422 2.07245 2.07605 2.07657 2.08592 2.09117 2.09957 2.10481 2.11525 2.11814 2.12668 2.14056 2.14230 2.14648 2.14935 2.15879 2.16572 2.17118 2.17397 2.18292 2.18842 2.20044 2.20772 2.21477 2.23067 2.23475 2.24191 2.25201 2.27003 2.27451 2.28305 2.28804 2.30459 2.30768 2.31064 2.31905 2.32737 2.34173 2.34520 2.36192 2.36314 2.36912 2.37710 2.38914 2.39700 2.40392 2.41228 2.42053 2.42551 2.43261 2.43845 2.45453 2.45950 2.46363 2.47253 2.49558 2.50068 2.50347 2.50764 2.51302 2.51827 2.52359 2.52447 2.53237 2.53766 2.55674 2.57244 2.58231 2.58973 2.59632 2.60528 2.60825 2.61446 2.62092 2.62647 2.63355 2.64801 2.65417 2.67392 2.68040 2.69663 2.70483 2.70946 2.72060 2.72714 2.73085 2.73680 2.74745 2.75643 2.76294 2.78066 2.79672 2.80798 2.82414 2.83432 2.84782 2.86099 2.86869 2.89034 2.90786 2.92892 2.92987 2.93811 2.94786 2.95056 2.95949 2.96639 2.97234 2.98616 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1.5704 3.6261 4.9270 4.3465 3.0165 1.7517 1.4199 2.4874 2.9816 2.4793 4.1058 3.6532 3.8359 4.3167 6.0868 4.0144 5.6543 1.8203 4.1118 4.1413 1.3361 3.3252 1.3678 3.6291 5.0938 1.6005 9.1476 5.3209 3.5203 3.2876 10.3684 2.8546 1.8882 1.5634 2.4523 6.1303 2.4922 1.4404 2.0286 2.4316 2.1859 2.2270 1.3545 1.4858 2.0720 2.1956 1.2983 1.5686 2.2208 2.0728 3.7430 5.3009 1.8221 2.3213 2.2360 2.6866 2.9283 1.6946 1.4786 2.5487 2.0840 2.1039 3.6044 1.4791 1.5451 1.8561 2.7821 1.6291 1.8317 2.1318 1.8440 1.7379 1.4646 1.7291 2.0858 1.4413 1.3115 1.9105 1.3981 1.5369 1.4533 1.3866 2.7023 1.4413 1.4939 2.2601 1.8681 2.1895 2.2614 4.4042 4.0276 2.4381 1.0819 1.0984 1.2725 1.1111 2.6922 1.1116 4.6283 4.1324 2.2781 3.4385 5.5822 1.3221 6.0366 1.5908 5.4989 8.9694 8.2519 8.3686 1.0719 1.0707 1.0660 1.0671 1.0992 1.0908 1.0992 1.1008 1.0938 1.0614 1.0849 1.1056 1.0867 1.0903 1.0952 1.0980 1.0929 1.0998 1.1061 1.0991 1.0467 1.0796 1.0458 1.0813 1.1038 1.1075 0.0001 0.0014 0.0011 0.0016 0.0023 0.0026 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11.6653 3.0904 10.7515 18.1554 18.0381 18.8905 6.4448 6.4720 6.4857 6.5654 6.8314 6.8395 6.9194 6.9486 6.9788 6.8311 7.0083 7.3211 7.1993 7.2646 7.3493 7.4185 7.6165 7.7540 7.9032 7.9324 9.0003 9.3764 9.0963 9.7982 10.1096 10.3124 0.0427 0.0400 0.2507 0.1757 1.1124 0.4564 0.0819 0.7198 2.1413 0.4757 0.3041 0.9056 2.2672 1.9199 1.7742 6.2073 2.3994 1.8910 0.9043 4.2197 4.3448 1.0299 3.3459 11.3997 6.2406 12.2766 22.8362 101.6519 69.9047 117.7091 22.3534 9.9090 22.0141 2.4468 63.6325 2.3751 3.0415 1.8600 5.6666 1.9121 8.9430 66.3517 32.0590 39.7362 228.4354 53.0359 55.3821 20.6014 10.7650 15.0373 73.4750 41.1461 11.4576 13.0672 8.0984 4.1393 2.8906 50.9838 9.6016 15.6698 63.6181 15.5771 3.6331 14.5568 73.7168 5.0664 52.2983 9.1305 50.8076 0.2862 43.7852 36.4528 7.0157 3.0220 24.1267 5.7880 8.2519 1.2547 9.2640 6.4038 21.5029 5.9083 11.2291 1.9962 12.6792 16.5264 1.5301 7.9905 2.2122 0.9334 0.1872 26.3634 3.5681 0.1126 17.9732 8.4810 113.1658 3.6262 4.5109 68.4329 8.1861 19.6644 16.2864 86.4982 174.7844 45.7720 61.5025 1.0819 3.1917 83.2071 9.9241 10.9026 38.2800 51.1487 15.5322 24.9172 8.8500 271.0141 33.2022 15.1390 9.0878 13.0778 5.4460 206.0310 32.5688 3.6835 101.9543 17.2912 12.1698 63.3817 30.1663 101.5138 32.4421 70.5867 3.8189 36.1453 0.2008 2.5404 78.4735 10.4072 8.4481 0.8661 35.4752 153.7564 380.0461 99.6803 1.6153 296.2752 3.3499 309.2366 7.4855 161.9754 229.4307 511.0143 20.3947 41.1973 28.9688 65.4872 26.2886 5.3528 34.3293 52.8587 53.3666 12.7931 2.3435 6.6913 1.2156 8.3240 51.6276 26.9519 5.3424 0.3301 2.3329 4.1177 104.4114 101.8022 87.0402 107.7519 133.2420 95.1160 0.4010 2.8729 1.3802 3.1657 4.4864 0.3348 0.3007 0.7680 4.3146 1.9124 0.7930 2.1908 0.7884 2.2565 2.9524 0.8339 2.7392 0.5859 2.1138 2.9840 2.0479 2.4213 0.2252 0.6686 0.9694 1.5730 0.4722 0.7885 1.4115 1.0494 1.5912 0.3175 1.6564 0.1638 1.2443 1.8777 3.7272 1.0372 1.0658 0.5260 1.2469 6.3121 0.5925 2.0196 2.8399 5.7775 0.8924 5.2037 1.3138 3.5098 1.3460 4.2076 0.9588 1.0400 3.5847 5.8351 3.6646 0.6332 1.1630 2.0593 3.0598 2.7058 1.8429 14.0988 1.0986 1.4184 2.3914 1.3987 6.1287 1.0984 2.1222 1.4379 15.3584 17.1364 1.6470 6.6391 6.6128 2.1929 2.9853 4.6634 1.8384 3.0067 3.9147 1.9720 1.7149 1.9128 0.1322 3.4106 2.0572 12.2365 0.4184 2.2139 18.8366 8.2310 6.6919 0.3977 1.5026 3.7420 5.2076 14.4901 4.4445 5.9924 10.5815 10.6047 1.1952 7.7971 3.8673 1.4520 6.5203 4.7285 11.6058 12.3189 13.2557 18.2630 8.9079 28.0802 10.1740 7.6116 24.9765 4.7060 4.5004 12.1244 5.5518 13.4333 4.8851 3.4396 4.1977 5.1991 3.2041 9.4319 3.2298 3.8751 31.8541 67.8870 201.1537 10.8685 24.8796 9.5479 55.9888 5.9978 2.5645 6.7306 68.2382 68.6082 14.4163 47.8736 26.7469 7.7926 16.7529 5.6055 22.7443 25.7677 2.3136 18.8273 10.5354 76.2287 42.8868 136.9405 33.1905 117.9177 83.5109 79.8602 37.1514 97.0161 28.6299 46.3838 39.4353 136.9466 59.0736 263.1981 86.5878 36.5315 91.7811 54.2177 119.2102 48.3265 108.6147 134.7154 22.1428 57.9023 0.6723 0.7244 0.7500 0.7498 0.7484 0.6600 0.7465 0.7224 0.7393 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12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 31.97207 12.00000 15.99491 14.00307 14.00307 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 16842.4363 19380.2427 29839.8835 0.99408 0.10854 0.00510 -0.10857 0.99407 0.00638 -0.00437 -0.00689 0.99997 1 0.00514 0.00447 0.00290 0.10715 0.09312 0.06048 11.55 24.85 27.97 31.96 38.24 43.50 54.62 66.59 74.29 87.83 93.42 101.53 119.31 136.28 144.00 174.90 200.49 212.64 252.64 278.56 292.44 311.79 352.41 355.41 358.53 385.27 435.05 439.64 461.94 472.16 477.43 528.91 546.85 574.62 600.26 629.26 655.29 682.86 696.14 711.05 724.63 766.66 786.42 808.66 836.99 842.88 851.41 876.23 917.87 919.05 935.52 943.01 949.60 966.59 970.71 985.85 1014.67 1038.05 1078.16 1091.77 1125.82 1183.71 1185.78 1195.73 1210.22 1219.51 1239.84 1246.65 1252.59 1279.21 1280.11 1314.25 1349.86 1357.86 1364.87 1370.49 1373.16 1386.33 1397.07 1400.25 1436.26 1452.24 1459.91 1471.86 1480.79 1506.99 1526.71 1532.32 1550.47 1579.10 1585.06 1595.93 1604.21 1623.43 1683.34 1689.54 1729.85 1736.69 1737.33 1740.71 1762.29 1779.11 1793.86 1810.48 1834.46 1848.53 1879.29 1902.21 1910.40 1924.89 1937.04 1948.04 1963.40 1975.44 1985.44 1998.63 2001.60 2042.10 2053.18 2058.86 2085.68 2106.49 2116.20 2128.88 2133.89 2153.01 2181.53 2206.00 2218.62 2235.22 2244.45 2259.80 2287.25 2300.57 2337.68 2341.21 2346.39 2366.01 2367.79 2368.53 2391.90 2405.82 2447.32 2498.62 2509.42 2525.24 2561.16 2569.40 2605.68 2612.53 2620.99 2666.79 2771.32 2816.19 4596.22 4608.45 4623.47 4649.42 4672.80 4693.63 4702.90 4709.38 4734.59 4755.36 4764.19 4823.39 4824.60 4838.40 4855.59 4872.27 4948.24 4977.06 5010.32 5035.56 5496.51 5524.04 5528.06 5642.49 5672.63 5719.73 0.532625 0.563584 0.564529 0.463463 -1984.979260 -1984.948301 -1984.947357 -1985.048422 3.389737D-04 MUNgauss RevisionA2.0 retrievium 28-Feb-2020 DUDE c1ccc2c(c1)c(c[nH]2)[C@@H](C(=O)NC3CCCC3)N(Cc4ccco4)C(=O)c5c(c(ns5)C(=O)N)N C12467833 RHF 6-31G(d) (6D,10F) C1 506.173625 |X|Y|Z| 93.711929 87.150512 43.705670 70.936137 30 6 7 8 16 24 4 1 1 |36.858105| |13.581068|36.858105| |7.872626|13.849755|36.858105| |6.940089|8.047951|13.676277|36.858105| |7.963390|6.858519|7.788089|13.617449|36.858105| |13.847106|7.879853|6.751760|7.904935|13.616069|36.858105| |5.001110|4.538578|5.249901|8.318332|13.130455|7.257874|36.858105| |4.171409|4.182534|5.289837|8.521206|8.492388|5.250890|14.068690|36.858105| |4.651477|5.160205|7.596662|13.897689|8.536749|5.369355|8.535387|13.922462|53.358707| |3.939883|4.543560|6.654520|9.027913|5.968589|4.277423|5.989698|9.073935|26.126726|0.500000| |4.122198|3.568867|3.808235|5.100707|7.321457|5.839764|12.658074|7.335372|6.991765|0.114558|36.858105| |4.301263|3.589231|3.683106|4.719191|6.847606|6.171923|9.079931|5.787009|6.112066|0.102183|17.665982|0.500000| |3.126143|2.843746|3.081710|3.947511|4.848795|4.006522|7.411965|6.202026|5.885910|0.102804|12.382863|0.249815|36.858105| |2.853830|2.696450|3.009600|3.858105|4.386025|3.521850|6.582140|6.713666|6.183119|0.111363|7.887356|0.167151|15.792050|73.516695| |2.767068|2.489034|2.616144|3.189032|3.857049|3.449193|5.122435|4.362030|4.572792|0.082273|7.904195|0.211312|14.206018|15.072900|53.358707| |2.291790|2.109152|2.221604|2.633510|3.024496|2.738769|3.810478|3.515289|3.835413|0.071362|5.017279|0.134466|7.758958|12.033887|17.908826|36.858105| |2.069490|1.892048|1.954906|2.258696|2.584672|2.430125|3.093950|2.827170|3.209338|0.060200|3.979597|0.109784|5.181850|8.100825|10.443579|12.432468|36.858105| |1.802923|1.674350|1.734230|1.972786|2.196505|2.068563|2.569710|2.427698|2.821359|0.053885|3.106709|0.086175|3.908461|6.568027|6.939843|7.823381|12.340496|36.858105| |1.827023|1.714552|1.795119|2.050672|2.255469|2.091575|2.658293|2.565584|2.974085|0.057158|3.135530|0.087345|4.042374|7.032180|6.938743|7.926861|7.698113|12.259993|36.858105| |2.128129|1.981823|2.087563|2.434785|2.727690|2.489104|3.316232|3.150130|3.546950|0.067081|4.041976|0.113947|5.577403|9.307279|10.320952|12.440492|7.940637|7.753842|12.416406|36.858105| |3.978131|3.368254|3.457907|4.353724|6.007487|5.477268|7.752906|5.357612|5.725523|0.097107|12.878062|0.258929|7.665307|10.214886|8.490666|4.370765|3.828394|2.946854|2.824796|3.426483|53.358707| |3.445246|3.080068|3.246812|4.023574|4.976712|4.378966|6.256977|5.115564|5.563021|0.097108|7.584485|0.156757|6.201429|9.802066|6.784150|3.909894|3.485684|2.759431|2.624830|3.062965|17.660585|36.858105| |2.722165|2.485083|2.613768|3.127483|3.654890|3.298027|4.519087|4.030251|4.454806|0.081098|5.602718|0.125047|5.745846|9.548460|6.917970|4.321813|4.010815|3.119332|2.860714|3.233747|10.388912|12.728966|36.858105| |2.379972|2.230144|2.384911|2.835172|3.173418|2.813805|3.950134|3.792758|4.191948|0.078374|4.649326|0.105905|5.388355|10.050193|6.553542|4.508819|4.119456|3.308849|3.050140|3.363454|7.252300|7.320419|14.206189|36.858105| |2.071896|1.937597|2.036160|2.352328|2.611472|2.398871|3.105769|2.965522|3.406886|0.064617|3.648811|0.088362|4.177265|7.518884|5.622336|4.169586|4.221392|3.460673|3.028813|3.161940|5.681800|5.135009|8.568274|13.224587|36.858105| |2.132353|1.959933|2.020671|2.311910|2.615644|2.473525|3.034672|2.793503|3.253602|0.061125|3.644707|0.090344|3.931680|6.638675|5.468512|3.892286|4.158589|3.317745|2.835459|2.974041|6.056264|5.333252|8.768625|8.600043|14.228189|36.858105| |2.491706|2.249040|2.304992|2.669991|3.111675|2.957215|3.626116|3.205868|3.695150|0.068064|4.491729|0.108927|4.523716|7.288867|6.065025|3.950213|4.021874|3.117162|2.742638|3.001441|8.365538|7.846566|14.112199|8.638059|8.633512|14.178382|73.516695| |3.722196|3.062406|3.004973|3.561978|4.746679|4.917516|5.335294|3.970893|4.544483|0.079409|7.844757|0.219412|5.735696|7.778150|7.684298|4.115259|3.899885|2.968621|2.761865|3.281523|18.985651|7.631634|6.029201|4.387406|3.811269|4.347974|10.613984|36.858105| |3.465384|2.856262|2.784694|3.255733|4.260153|4.479694|4.756141|3.620808|4.171436|0.073677|7.041935|0.235557|5.640669|7.443115|8.536550|4.488868|4.339180|3.250309|3.017197|3.646234|11.522900|5.375250|4.739895|3.780468|3.413329|3.825552|8.523419|15.702052|73.516695| |3.465990|2.862394|2.738881|3.099379|3.910618|4.258772|4.056116|3.232120|3.899602|0.069686|5.034022|0.138704|4.040883|5.986950|5.444260|3.224981|3.211380|2.551229|2.341928|2.661538|10.503404|6.288848|5.283208|3.875946|3.549236|4.261254|10.488758|12.866532|14.620732|36.858105| |2.898161|2.438324|2.317478|2.555129|3.098119|3.385616|3.187330|2.646685|3.246740|0.059196|3.859519|0.109773|3.342183|5.055878|4.737788|2.952309|3.092192|2.495882|2.244261|2.483073|7.000426|4.490473|4.234137|3.324099|3.240567|3.990075|9.023966|7.591772|11.862334|13.940618|36.858105| |2.719886|2.320266|2.181677|2.344034|2.755878|3.039452|2.750194|2.349081|2.961166|0.054652|3.135273|0.087721|2.740998|4.298946|3.787540|2.431894|2.529924|2.118600|1.925270|2.094590|5.467748|3.793692|3.577568|2.895799|2.855227|3.467115|7.513501|5.121428|8.004905|8.307742|13.110980|36.858105| |2.962646|2.529989|2.364202|2.518721|2.941400|3.267022|2.869027|2.459526|3.146045|0.057996|3.154265|0.086417|2.697539|4.292091|3.601660|2.298292|2.327935|1.965624|1.815695|1.986556|5.561878|4.020853|3.622144|2.908847|2.794002|3.313276|7.288874|4.857756|7.214053|7.734880|8.196118|14.838164|53.358707| |3.696331|3.084390|2.904065|3.183652|3.866254|4.294006|3.752068|3.102321|3.919223|0.070625|4.114234|0.109335|3.309472|5.197691|4.240739|2.605292|2.547090|2.111993|1.977669|2.215584|7.903765|5.711491|4.560648|3.462680|3.136968|3.639916|8.567135|6.623534|8.711768|10.979622|7.499752|7.854887|15.856791|388.023441| |2.293095|1.995748|1.877126|1.985924|2.276336|2.490755|2.268294|1.985119|2.529611|0.047331|2.543476|0.071736|2.298819|3.665776|3.223921|2.136234|2.264471|1.946212|1.760843|1.877807|4.192082|2.949618|2.884043|2.446236|2.481075|2.973482|6.023053|3.746262|6.258091|5.104662|7.291725|12.685664|10.762378|35.090878|36.858105| |2.121908|1.854329|1.751774|1.857229|2.124686|2.309298|2.138411|1.878312|2.382296|0.044705|2.424046|0.069230|2.233578|3.551715|3.202134|2.150989|2.327561|2.012624|1.802935|1.904884|3.898808|2.698746|2.691654|2.325398|2.392843|2.858069|5.627931|3.506541|6.141139|4.466154|6.457925|8.066001|7.422053|28.330681|15.817835|73.516695| |2.155192|1.903778|1.786845|1.863930|2.096118|2.287403|2.064381|1.835629|2.373166|0.044763|2.252594|0.062898|2.042274|3.313588|2.819676|1.886047|1.976458|1.727722|1.579459|1.675173|3.653695|2.643544|2.574692|2.220978|2.249096|2.642904|5.258544|3.113435|5.147189|4.072563|5.061896|7.939589|9.575904|31.232341|14.220944|15.091798|53.358707| |2.559239|2.183532|2.092159|2.306185|2.761920|2.967170|2.896836|2.440437|2.974651|0.054667|3.571187|0.104279|3.260068|4.905247|4.888451|3.128216|3.440478|2.758988|2.420801|2.644298|6.009371|3.806099|3.801451|3.128605|3.152287|3.869450|8.147573|6.308265|11.868246|7.797392|14.042642|7.692922|7.225762|34.947577|6.241517|11.987145|5.932206|53.358707| |17.717943|8.882557|5.631381|4.986975|5.653182|8.963188|4.030414|3.408213|5.015731|0.089598|3.567027|0.105451|2.782940|4.495591|3.454672|2.129144|1.959499|1.715316|1.725083|1.986894|4.839774|3.087861|2.502020|2.187440|1.940388|2.020235|4.175055|3.503225|5.896883|3.390116|2.914121|2.785480|4.127560|25.960636|2.373468|3.899841|3.051053|3.502529|0.500000| |8.879312|17.714318|8.975093|5.689648|4.944454|5.632804|3.614219|3.418895|5.628945|0.106418|2.974558|0.083500|2.450952|4.164852|2.976053|1.887036|1.713180|1.532533|1.567254|1.788819|3.884567|2.654620|2.198229|1.992496|1.756665|1.779742|3.588592|2.655666|4.448553|2.540495|2.215264|2.144712|3.183778|19.655040|1.876158|3.103640|2.464145|2.717284|0.215461|0.500000| |5.602129|8.899657|17.707265|8.830249|5.567749|4.887982|4.287219|4.609994|9.127263|0.187799|3.234457|0.086412|2.740011|4.870048|3.196948|2.039060|1.800840|1.618755|1.683271|1.935727|4.025042|2.854864|2.365753|2.202069|1.895117|1.864956|3.723686|2.592831|4.303387|2.392639|2.060663|1.959181|2.882272|18.079990|1.709574|2.845927|2.233501|2.554888|0.123750|0.214919|0.500000| |8.951816|5.618330|4.888806|5.613877|8.826434|17.715883|6.427790|4.547517|5.906748|0.099014|6.192391|0.196759|4.155658|6.232557|5.058138|2.898373|2.614338|2.191002|2.183878|2.603130|8.434911|4.570751|3.464235|2.890332|2.496556|2.629102|5.669172|6.117601|10.024999|5.189839|4.039031|3.510223|5.040225|34.924410|2.815360|4.644844|3.443114|4.765058|0.216230|0.124070|0.106419|0.500000| |3.382132|3.407651|4.176979|5.879691|5.786038|4.087861|8.703874|17.860022|12.215283|0.213064|6.309095|0.138948|6.458298|14.667415|6.100764|3.763077|2.952289|2.563649|2.749450|3.373966|6.478386|4.788202|4.068820|4.064470|3.136798|2.859244|5.674855|3.603486|5.925441|2.957986|2.472006|2.195632|3.097388|19.946451|1.877055|3.179371|2.365197|3.152008|0.079565|0.080322|0.106631|0.102954|0.500000| |2.881894|2.529892|2.596005|3.116516|3.865079|3.621939|4.867469|3.960473|4.300224|0.076984|7.709259|0.237086|9.492907|10.893100|25.991189|8.997306|7.220912|4.757089|4.531391|6.255932|8.996986|4.869680|4.814555|4.298141|3.821948|3.932905|7.974957|6.790259|15.397136|4.567108|4.007616|3.087363|3.913529|23.928192|2.605202|4.636137|3.047128|5.777760|0.074441|0.061806|0.064167|0.112788|0.108261|0.500000| |2.208568|2.063973|2.204402|2.623293|2.949004|2.618363|3.761904|3.621587|3.916444|0.073659|4.731152|0.119647|7.498848|13.848431|12.667771|17.614148|8.846085|6.760054|6.979100|8.889175|5.707579|4.017461|4.629259|5.248233|4.757362|4.135847|7.227811|3.774231|6.914183|3.038056|2.755490|2.317424|3.025333|18.006608|2.037277|3.611682|2.477286|3.880479|0.056644|0.051358|0.056687|0.075532|0.111905|0.182096|0.500000| |2.037798|1.863486|1.923154|2.217042|2.533718|2.387845|3.021698|2.763363|3.146628|0.059075|3.870350|0.103561|4.887361|7.783411|8.954298|8.711079|17.578972|8.622318|5.675898|5.670504|5.381123|3.753706|4.608220|4.801709|5.270169|5.278765|8.587536|4.040116|7.641479|3.417220|3.312342|2.708801|3.378772|19.211927|2.416910|4.400522|2.863527|4.999417|0.053682|0.046932|0.049252|0.071389|0.080087|0.174462|0.217767|0.500000| |2.138749|1.928690|1.965056|2.254570|2.615456|2.516731|3.066347|2.732107|3.138259|0.058504|3.994551|0.115514|4.848000|7.232184|9.909689|8.859131|17.511658|8.764606|6.241791|6.816488|5.286746|3.385641|3.742964|3.642350|3.694897|3.833118|6.857942|4.188997|8.826513|3.430106|3.377391|2.703648|3.323793|18.801976|2.425066|4.493311|2.839225|5.322007|0.056766|0.048548|0.049971|0.076625|0.077343|0.224214|0.174721|0.302694|0.500000| |1.692313|1.583676|1.645890|1.864484|2.052561|1.926844|2.392111|2.294108|2.682640|0.051628|2.835720|0.077064|3.530409|6.143916|5.900120|6.254465|8.734585|17.566532|8.715124|5.850224|3.733834|2.655646|3.076579|3.370433|3.660750|3.423329|5.499384|2.732247|5.164355|2.401004|2.354408|2.030261|2.578095|14.390224|1.876713|3.438137|2.286548|3.501769|0.044727|0.040413|0.042931|0.056271|0.067859|0.111120|0.172347|0.221831|0.176687|0.500000| |1.717291|1.589641|1.630404|1.833211|2.039732|1.953077|2.335516|2.191382|2.588113|0.049507|2.795041|0.079108|3.353562|5.557747|5.839504|5.781020|8.733139|17.573178|8.666905|6.050452|3.655060|2.492605|2.771449|2.869569|3.026595|2.993844|5.035811|2.776888|5.487459|2.432114|2.432768|2.074174|2.593508|14.315547|1.934223|3.603490|2.331789|3.734484|0.045802|0.040648|0.042305|0.057804|0.063377|0.117499|0.137793|0.188349|0.226306|0.304302|0.500000| |1.746104|1.657521|1.751121|1.999170|2.164524|1.985726|2.557005|2.530732|2.941159|0.057130|2.939893|0.080016|3.803232|6.984356|6.102709|6.652761|6.085852|8.740721|17.548100|8.822224|3.616114|2.538125|2.791990|3.068447|3.049861|2.771949|4.695006|2.544466|4.812407|2.183587|2.079599|1.808430|2.344929|13.371092|1.656121|2.993981|2.040736|3.004894|0.045623|0.042178|0.045966|0.056902|0.076751|0.108281|0.190841|0.139058|0.135116|0.228476|0.178740|0.500000| |1.725877|1.623157|1.689568|1.906716|2.082374|1.953404|2.401759|2.320472|2.741408|0.052972|2.776459|0.078782|3.418213|5.911351|5.689723|5.694639|5.770183|8.630623|17.573456|8.699785|3.414315|2.318703|2.480947|2.604102|2.593917|2.468549|4.273070|2.486025|4.866795|2.138836|2.072429|1.794103|2.299837|12.954447|1.658837|3.036843|2.032220|3.057780|0.045557|0.041476|0.044176|0.056624|0.068320|0.107838|0.139887|0.124818|0.145560|0.184938|0.222992|0.303780|0.500000| |2.195947|2.022630|2.103030|2.433536|2.758074|2.569043|3.276456|3.032180|3.467251|0.065167|4.016121|0.119554|5.141254|8.081900|9.667888|8.867697|6.951322|6.545457|8.770677|17.514220|4.613945|2.929748|3.007502|3.017241|2.844519|2.761063|5.051497|3.353230|6.895900|2.707261|2.549040|2.135409|2.735704|15.850835|1.919604|3.485695|2.317825|3.744721|0.057357|0.050761|0.053858|0.075576|0.087535|0.183162|0.174764|0.139713|0.195917|0.135926|0.161191|0.174369|0.218692|0.500000| |2.155014|2.035894|2.176774|2.554618|2.808459|2.509302|3.445344|3.391068|3.802004|0.072518|4.012168|0.111293|5.564930|10.034172|8.917157|8.699842|5.647428|5.603785|8.646363|17.573640|4.473554|2.976061|3.074500|3.233999|2.961157|2.737009|4.945525|3.049908|5.878838|2.486365|2.289358|1.959315|2.565867|15.081412|1.754156|3.136187|2.151353|3.248438|0.055374|0.050964|0.056418|0.071479|0.103313|0.146984|0.216482|0.124955|0.138285|0.130688|0.127675|0.219444|0.194014|0.301743|0.500000| |3.531019|3.271612|3.601734|4.646842|5.521533|4.456826|7.428918|6.564604|6.805593|0.117253|7.583516|0.149886|6.367415|11.099837|6.418312|3.767194|3.231276|2.630975|2.576153|3.027448|12.619915|17.672306|9.050575|6.906252|4.649643|4.459379|10.246880|5.717567|7.911526|4.757536|3.613926|3.162829|4.602457|32.787803|2.546623|4.175156|3.169903|4.297606|0.085636|0.077537|0.088360|0.121622|0.171393|0.122221|0.110530|0.094535|0.085783|0.070637|0.065585|0.070257|0.063283|0.079534|0.084108|0.500000| |3.514788|3.130010|3.226024|3.845154|4.645009|4.325812|5.200016|4.365353|5.114830|0.090570|5.706559|0.129549|4.632236|7.514310|5.377985|3.231993|2.989126|2.429584|2.301067|2.625094|12.318702|17.670655|9.013833|5.797406|4.503830|4.895703|12.712602|6.794878|8.485784|6.785578|4.745086|4.234612|6.493717|52.638366|3.207850|5.063875|3.971449|5.176810|0.088751|0.075625|0.078911|0.125306|0.111473|0.110433|0.091445|0.089581|0.081892|0.065414|0.062027|0.061914|0.057328|0.070626|0.070888|0.305687|0.500000| |2.366641|2.258879|2.466839|2.965153|3.233561|2.783628|4.113750|4.188889|4.550768|0.086095|4.593511|0.103249|5.548289|11.632272|6.358241|4.450799|3.839001|3.196757|3.072407|3.419292|6.559176|6.345612|8.846227|17.812407|8.434397|5.854910|10.463791|3.857907|6.050184|3.359247|2.884790|2.547434|3.518123|21.910810|2.178176|3.691230|2.721833|3.712686|0.059786|0.055962|0.063844|0.077668|0.131260|0.111727|0.150569|0.118494|0.093342|0.090587|0.076348|0.087838|0.072753|0.083811|0.094401|0.191855|0.140423|0.500000| |1.868941|1.766104|1.859906|2.126005|2.318017|2.132854|2.723469|2.658947|3.099110|0.059630|3.119730|0.077007|3.615472|6.688983|4.940931|3.863310|3.978560|3.455737|3.018626|3.035324|4.653976|4.029736|5.840432|8.435292|17.800490|8.829665|10.454658|3.167043|5.195890|2.971798|2.779885|2.494702|3.315735|19.004405|2.225113|3.855657|2.776098|3.747962|0.048798|0.044822|0.048576|0.061215|0.079095|0.092728|0.124750|0.136433|0.095130|0.105588|0.083785|0.086414|0.071947|0.075047|0.079348|0.105624|0.100564|0.192665|0.500000| |1.974766|1.812201|1.847818|2.080690|2.341522|2.258985|2.648803|2.437379|2.894226|0.054697|3.140788|0.080329|3.329767|5.582081|4.760481|3.455093|3.871101|3.176707|2.663567|2.727636|5.138841|4.273413|6.031774|5.814727|8.612996|17.835513|16.508129|3.889494|6.271535|3.990881|3.988064|3.539691|4.479720|24.315542|3.140248|5.448492|3.785541|5.431981|0.052614|0.046114|0.047543|0.067110|0.068768|0.097563|0.099336|0.136286|0.101631|0.091709|0.081762|0.071870|0.065381|0.071339|0.069204|0.100842|0.113743|0.123071|0.195080|0.500000| 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