Version2.4 2021-05-26T11:42:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(sc1)S(=O)(=O)[N-]c2ccc(c(c2)C(=O)[O-])N3CCN(CC3)CC(=O)N4CCCC4 C63600939 RHF 6-31G(d) (6D,7F) c1cc(sc1)S(=O)(=O)[N-]c2ccc(c(c2)C(=O)[O-])N3CCN(CC3)CC(=O)N4CCCC4 C01[X(C21H24N4O5S2)] 162 C1 536 O=C(N1CCCC1)CN1CCN(CC1)c1ccc(cc1C(=O)[O-])[N-]S(=O)(=O)c1cccs1 O=C(N1CCCC1)CN1CCN(CC1)c1ccc(cc1C(=O)[O-])[N-]S(=O)(=O)c1cccs1 [O-]C(=O)c1cc([N-][S](=O)(=O)c2sccc2)ccc1N3CCN(CC3)CC(=O)N4CCCC4 InChIKey=PZVVQSSLIMOLOL-UHFFFAOYSA-M InChI=1S/C21H25N4O5S2/c26-19(25-7-1-2-8-25)15-23-9-11-24(12-10-23)18-6-5-16(14-17(18)21(27)28)22-32(29,30)20-4-3-13-31-20/h3-6,13-14H,1-2,7-12,15H2,(H,27,28)/q-1/p-1 InChI=1/C21H25N4O5S2/c26-19(25-7-1-2-8-25)15-23-9-11-24(12-10-23)18-6-5-16(14-17(18)21(27)28)22-32(29,30)20-4-3-13-31-20/h3-6,13-14H,1-2,7-12,15H2,(H,27,28)/q-1/p-1/fC21H24N4O5S2/q-2 c1cc(sc1)S(=O)(=O)[N-]c2ccc(c(c2)C(=O)[O-])N3CCN(CC3)CC(=O)N4CCCC4 C01[X(C21H24N4O5S2)] 162 C01 536 O=C(N1CCCC1)CN1CCN(CC1)c1ccc(cc1C(=O)[O-])[N-]S(=O)(=O)c1cccs1 O=C(N1CCCC1)CN1CCN(CC1)[C]1[CH][CH][C]([CH][C]1[C]([O])=O)[N][S]([O])([O])C1=[CH][CH]=[CH]S1 [O]C(=O)[C]1[CH][C]([CH][CH][C]1N2CCN(CC2)CC(=O)N3CCCC3)[N][S]([O])([O])c4sccc4 InChIKey=MXZJFFWFIIIVLP-UHFFFAOYSA-N InChI=1S/C21H24N4O5S2/c26-19(25-7-1-2-8-25)15-23-9-11-24(12-10-23)18-6-5-16(14-17(18)21(27)28)22-32(29,30)20-4-3-13-31-20/h3-6,13-14H,1-2,7-12,15H2 InChI=1/C21H24N4O5S2/c26-19(25-7-1-2-8-25)15-23-9-11-24(12-10-23)18-6-5-16(14-17(18)21(27)28)22-32(29,30)20-4-3-13-31-20/h3-6,13-14H,1-2,7-12,15H2 3416.6771969569 -2196.2019816 1-A 31447.2089 126 410 536 |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|A|A| -91.95078 -91.78922 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1.6807 2.7212 1.5705 4.3287 3.8183 2.0821 1.6378 2.7049 2.0279 2.0495 1.4739 1.4748 19.2356 1.0712 2.5584 1.6970 2.0782 1.5445 1.3535 1.6195 1.7391 1.6827 2.7838 1.4779 1.3769 1.4632 1.8004 1.4350 1.5300 2.0376 1.3050 1.4943 5.0019 1.5139 1.5347 2.2322 2.2445 1.7918 1.9452 6.5754 1.0965 1.1086 1.0968 1.1157 1.1123 1.1686 2.5692 1.1181 1.0903 1.1075 5.3582 5.4018 6.0446 12.1247 11.6619 1.0741 1.0735 1.0656 1.0684 1.0677 1.0969 1.0890 1.0745 1.0712 1.0675 1.0654 1.0967 1.0954 1.0885 1.0979 1.1054 1.0954 1.0888 1.0900 1.0897 1.0931 1.0906 1.0977 1.0955 0.0003 0.0002 0.0007 0.0022 0.0039 0.0042 0.0121 0.0109 0.0194 0.0204 0.0159 0.0176 0.0465 0.0442 0.0700 0.1174 0.0852 0.1579 0.0607 0.1556 0.1096 0.1853 0.0735 0.1589 0.1487 0.2265 0.6229 0.3852 0.3821 0.2698 0.4149 0.3712 0.5007 0.3247 0.5115 0.6851 0.7278 0.9146 0.7841 1.2608 1.3855 0.7862 1.0835 0.4228 0.8962 0.9685 1.2270 1.4887 1.1080 2.7067 1.9447 1.1908 0.4583 1.5217 2.5669 1.9136 2.8498 1.2059 0.8561 1.5448 2.0308 2.2279 2.2362 1.1190 0.9463 1.0687 0.7252 1.4600 1.0314 0.9462 1.5633 0.8457 1.2563 1.1043 1.1066 1.4757 3.3315 1.4539 1.2882 1.5953 1.7903 2.0086 2.9545 1.4080 2.3088 1.3527 3.7934 3.4109 1.9266 1.5274 2.5621 1.9697 2.0247 1.4655 1.5012 19.8859 1.1353 2.7329 1.8264 2.2630 1.6876 1.5058 1.8285 2.0206 1.9851 3.3698 1.7970 1.7261 1.8428 2.3086 1.8692 2.0074 2.7212 1.7485 2.0183 6.9043 2.1017 2.1492 3.2106 3.2403 2.6598 2.9572 10.1263 1.7064 1.7291 1.7312 1.7744 1.7812 1.8732 4.1574 1.8272 1.8041 1.8613 9.4967 9.6986 11.4867 25.0575 25.9996 5.9938 6.0358 6.1414 6.2074 6.3380 6.5438 6.5509 6.4838 6.4829 6.4752 6.4859 6.8340 6.8473 6.8089 6.8728 6.9671 7.0074 7.0568 7.2353 7.2613 7.3398 7.3755 7.5345 7.5820 6.9618 4.1452 2.1297 0.4217 2.6814 5.2619 6.1420 0.1447 2.1648 0.3838 0.6079 0.4409 3.4898 4.3905 2.1111 0.9935 6.4568 4.4555 4.6600 2.4531 2.0628 6.1227 0.1839 1.7555 2.8989 2.2007 4.5193 2.5569 2.3948 7.7833 13.2937 0.6287 30.2090 4.0136 1.4982 4.9633 10.9235 9.1485 0.2193 39.7826 16.0064 12.7440 49.6364 3.2369 2.8898 41.0727 37.9714 5.7167 4.8506 57.9376 101.1111 17.1508 67.0841 50.0064 3.6688 23.7587 17.3632 2.1902 13.6094 25.0825 41.7769 14.9300 137.9013 3.3589 23.3511 5.1497 6.1710 5.0954 2.4627 11.0114 17.8374 1.8871 9.8314 21.1165 27.6474 16.6630 70.8531 18.1629 34.3877 52.3800 3.2086 50.6558 130.8132 3.4743 16.8397 155.1921 156.2063 149.2932 5.8823 16.8911 58.5930 23.2204 56.0627 13.4959 31.1243 281.6863 3.2212 62.2558 330.6057 28.9859 8.0884 32.0271 45.1499 24.0771 68.1295 731.2185 95.1424 14.9919 63.2483 219.3372 28.0995 64.6285 4.5980 3.6477 1.4330 299.5861 95.1190 41.9441 90.7394 123.8424 57.5647 116.9034 17.9347 10.2870 21.2162 1.7727 12.1927 2.1983 46.8972 197.6989 9.1154 1.0743 2.3405 157.9915 0.9627 122.5120 624.3854 328.5200 33.0142 139.0760 31.2042 88.1969 49.8924 62.0960 78.5531 89.3894 23.2620 38.4000 36.5498 76.0698 65.2910 33.9938 58.0745 78.6610 35.2656 64.4067 1.5502 42.4317 24.7167 14.8810 28.9715 5.0472 0.4490 0.3023 1.2337 3.8926 0.6983 0.5800 1.1027 2.4174 0.6461 1.4112 1.4586 0.8285 0.6956 0.7109 1.9836 3.5529 0.8950 1.6888 0.2326 0.4114 0.4100 2.0557 0.1711 1.7088 0.8503 0.9794 5.4689 1.4082 0.9349 1.0636 1.5759 0.9633 1.3835 0.7444 0.8678 2.3649 1.7335 2.3717 6.0966 1.3968 2.6032 0.5870 1.3141 0.6509 1.5620 5.3170 6.1803 3.7532 1.3116 5.1857 9.8967 1.0163 5.0330 3.9490 5.1136 1.8303 35.2308 6.6911 1.5286 7.9017 1.5317 4.7197 14.6581 9.9969 1.8115 4.8959 2.5663 9.7356 2.2091 4.3407 2.0739 4.6662 2.0951 2.7697 1.9290 4.9629 1.7325 6.4252 1.0541 1.3521 40.0194 4.0524 13.0491 0.8908 2.0051 15.9856 6.6606 6.4430 2.4187 2.0989 7.0825 2.2023 3.9390 0.7065 8.8537 2.7534 8.9673 10.4553 8.0654 8.4929 27.5342 9.3367 55.3682 13.3614 21.3596 92.7046 14.8270 1.0541 0.7209 4.8539 40.7054 1.7816 7.8997 4.8421 4.8622 12.7572 3.7828 0.9193 5.0503 1.1368 2.6443 6.0516 144.5956 1.5994 17.6805 19.9644 14.2107 12.0051 6.7521 0.5038 11.2909 0.4902 10.4181 73.0973 8.5314 250.5957 3.2630 9.2344 13.9207 109.2345 14.1938 62.6504 49.1928 51.3335 119.8382 47.0822 87.8008 81.3420 97.3371 88.0278 153.4748 97.2650 68.7388 84.1289 57.7655 67.6932 49.6381 176.6334 78.2500 71.4607 192.3783 104.8046 0.7500 0.7430 0.7495 0.7500 0.7407 0.7355 0.7409 0.7016 0.7474 0.7166 0.5769 0.6248 0.3123 0.6622 0.7254 0.7500 0.7495 0.2496 0.5118 0.6454 0.7310 0.2321 0.6885 0.6327 0.5405 0.5775 0.2604 0.4741 0.7440 0.5632 0.5132 0.3875 0.1469 0.0890 0.4541 0.6438 0.5920 0.6048 0.4452 0.6369 0.7464 0.7489 0.2220 0.7485 0.7378 0.3136 0.2816 0.0923 0.7469 0.7424 0.1311 0.1723 0.7291 0.7041 0.7207 0.7440 0.1119 0.1600 0.3447 0.1186 0.5504 0.3723 0.2949 0.0761 0.7279 0.3539 0.3740 0.1102 0.5323 0.7365 0.2209 0.7091 0.0719 0.2319 0.5174 0.5822 0.7085 0.6210 0.7250 0.7317 0.4993 0.4264 0.3763 0.5431 0.3388 0.4609 0.6781 0.2750 0.0949 0.3155 0.7203 0.4187 0.5716 0.5068 0.7354 0.7470 0.7493 0.6184 0.3677 0.7498 0.2841 0.6925 0.2473 0.7145 0.3708 0.2270 0.5572 0.4289 0.5617 0.4119 0.4774 0.5930 0.5485 0.5564 0.6923 0.1987 0.0951 0.4350 0.1346 0.7472 0.4390 0.5807 0.3029 0.7491 0.7107 0.7498 0.6882 0.7112 0.6626 0.4647 0.7215 0.6233 0.7261 0.3667 0.5098 0.4243 0.4347 0.4144 0.5674 0.2367 0.4675 0.0975 0.0773 0.4023 0.3228 0.3253 0.2392 0.3254 0.2154 0.3431 0.1866 0.2737 0.5545 0.6738 0.4048 0.3535 0.2807 0.4661 0.2130 0.2575 0.2825 0.1785 0.8571 0.8526 0.8568 0.8571 0.8510 0.8476 0.8512 0.8247 0.8554 0.8349 0.7317 0.7690 0.4759 0.7968 0.8408 0.8571 0.8568 0.3995 0.6771 0.7845 0.8446 0.3768 0.8155 0.7750 0.7017 0.7322 0.4131 0.6432 0.8532 0.7206 0.6783 0.5585 0.2561 0.1635 0.6246 0.7833 0.7437 0.7537 0.6161 0.7782 0.8548 0.8564 0.3633 0.8562 0.8491 0.4775 0.4394 0.1690 0.8551 0.8521 0.2318 0.2940 0.8433 0.8264 0.8377 0.8532 0.2012 0.2759 0.5127 0.2121 0.7100 0.5426 0.4555 0.1414 0.8425 0.5228 0.5444 0.1985 0.6948 0.8483 0.3618 0.8298 0.1342 0.3764 0.6819 0.7359 0.8294 0.7662 0.8406 0.8451 0.6660 0.5979 0.5468 0.7039 0.5062 0.6310 0.8082 0.4313 0.1734 0.4796 0.8374 0.5903 0.7274 0.6727 0.8475 0.8552 0.8567 0.7642 0.5377 0.8570 0.4425 0.8183 0.3966 0.8335 0.5410 0.3700 0.7156 0.6004 0.7194 0.5835 0.6463 0.7445 0.7084 0.7150 0.8182 0.3316 0.1737 0.6062 0.2373 0.8553 0.6101 0.7347 0.4650 0.8565 0.8309 0.8570 0.8153 0.8312 0.7971 0.6345 0.8382 0.7680 0.8413 0.5367 0.6754 0.5958 0.6060 0.5860 0.7240 0.3828 0.6371 0.1777 0.1434 0.5738 0.4880 0.4909 0.3860 0.4910 0.3544 0.5109 0.3144 0.4298 0.7134 0.8051 0.5763 0.5224 0.4384 0.6358 0.3512 0.4096 0.4405 0.3030 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 16 6 16 8 8 7 6 6 6 6 6 6 6 8 8 7 6 6 7 6 6 6 6 8 7 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 12.00000 12.00000 31.97207 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 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 3903.3810 54654.4956 56558.4697 1.00000 0.00192 0.00183 -0.00190 0.99997 -0.00756 -0.00184 0.00756 0.99997 1 0.02219 0.00158 0.00153 0.46235 0.03302 0.03191 11.55 12.64 19.46 33.25 44.91 57.34 72.84 78.49 97.72 118.51 125.82 130.91 156.00 188.41 217.90 231.59 242.48 251.58 269.87 289.04 305.21 364.28 395.64 409.78 429.33 442.95 475.78 489.11 504.92 529.07 542.07 568.18 626.89 646.50 662.57 754.39 759.49 763.67 781.92 818.84 838.75 852.14 871.20 891.97 926.85 950.61 965.51 1007.75 1028.83 1058.31 1108.85 1114.74 1137.70 1145.62 1166.57 1193.24 1224.48 1241.38 1295.52 1304.17 1325.00 1327.17 1356.72 1363.97 1371.00 1376.96 1391.97 1417.22 1444.67 1464.54 1476.04 1479.53 1488.34 1501.20 1514.07 1551.23 1567.80 1603.95 1606.15 1615.45 1643.23 1648.96 1662.12 1715.65 1726.58 1739.66 1754.72 1771.61 1803.06 1810.13 1824.29 1847.36 1863.05 1869.07 1891.12 1905.85 1929.73 1937.31 1944.53 1956.00 1959.37 1977.08 1991.72 2020.47 2035.94 2062.30 2066.92 2098.65 2103.56 2122.53 2139.32 2147.00 2166.12 2169.68 2178.44 2202.22 2208.56 2218.16 2247.96 2252.17 2283.77 2311.13 2326.12 2338.35 2340.94 2354.92 2363.84 2372.00 2373.19 2384.42 2396.16 2411.19 2429.96 2495.43 2511.63 2583.94 2694.64 2798.77 4427.90 4444.67 4499.98 4518.11 4566.80 4578.23 4597.33 4604.52 4611.22 4616.50 4624.94 4679.17 4686.42 4687.99 4689.75 4705.71 4740.79 4772.06 4829.41 4838.71 4857.22 4874.50 4910.92 4931.14 0.473699 0.501509 0.502453 0.407837 -2195.728283 -2195.700473 -2195.699529 -2195.794144 3.173403D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE c1cc(sc1)S(=O)(=O)[N-]c2ccc(c(c2)C(=O)[O-])N3CCN(CC3)CC(=O)N4CCCC4 C63600939 RHF 6-31G(d) (6D,10F) C1 476.118814 |X|Y|Z| 41.688207 27.284376 170.189954 57.847828 26 6 7 16 20 4 2 |36.858105| |13.272864|36.858105| |8.223855|14.151641|36.858105| |7.452607|7.461838|11.028742|388.023441| |14.143736|8.242278|7.721910|78.499957|36.858105| |4.719494|6.842433|10.684183|43.900448|4.510837|388.023441| |4.108149|5.436670|7.369818|37.715591|4.015483|93.092072|73.516695| |4.351776|6.444541|7.448481|32.412323|3.852939|93.026900|13.987262|73.516695| |3.998849|5.088833|7.514581|42.910844|4.126486|87.696751|13.307361|13.213087|53.358707| |3.096343|3.747766|4.876792|30.355806|3.180763|52.358418|10.423438|10.261807|18.612458|36.858105| |2.715065|3.288680|4.031255|24.404487|2.714906|44.107961|9.999480|9.904153|10.428017|13.650339|36.858105| |2.275063|2.658363|3.130602|19.927043|2.289541|30.394168|7.235382|7.158997|6.956343|7.899961|13.731987|36.858105| |2.122174|2.415347|2.829235|18.868562|2.172856|25.597665|6.002553|5.926891|6.146854|6.733475|7.843424|13.757594|36.858105| |2.286578|2.576160|3.073819|21.218458|2.387477|26.885410|6.073420|5.988120|7.035963|7.754330|6.800334|7.942877|13.570714|36.858105| |2.738728|3.143686|3.927207|26.994574|2.887505|35.282723|7.502295|7.371990|10.875983|13.571950|7.986688|6.986257|7.952938|13.757833|36.858105| |2.052605|2.242875|2.610434|18.760823|2.167516|21.297408|4.871085|4.817395|5.296315|4.951112|4.383362|4.956677|7.348597|12.319708|7.551961|36.858105| |2.057797|2.210066|2.582254|19.310647|2.215266|20.399289|4.739744|4.508771|5.041860|4.436453|3.814259|4.084429|5.429842|8.083751|6.498773|15.477270|73.516695| |1.881573|2.048398|2.329813|16.497074|1.961486|18.814983|4.292852|4.407470|4.495286|4.070796|3.794863|4.391249|6.278941|8.049088|5.529593|15.369953|15.226080|73.516695| |1.830191|2.045202|2.333357|15.792010|1.870803|20.222512|4.860124|4.797267|4.589267|4.470614|5.094338|7.757876|13.298392|7.754319|5.134739|6.430766|8.662000|11.280800|53.358707| |1.712910|1.904921|2.130141|14.320642|1.734541|18.071610|4.263376|4.432817|4.019071|3.737315|4.161885|5.719385|7.783762|5.803344|4.212606|5.434299|7.323449|11.255750|17.947966|36.858105| |1.521010|1.664739|1.840929|12.602454|1.547387|15.168832|3.634405|3.705677|3.311914|2.945208|3.177394|4.049524|5.126332|4.327076|3.315589|4.547204|6.584834|9.673462|10.741248|12.541851|36.858105| |1.439571|1.573025|1.734616|11.878882|1.463470|14.312562|3.512416|3.487009|3.058313|2.688152|2.963824|3.768901|4.470059|3.681413|2.929204|3.714486|5.695963|7.235730|9.145350|7.711938|12.989659|53.358707| |1.514658|1.659156|1.850640|12.739313|1.549344|15.436108|3.856187|3.687999|3.312960|2.951988|3.291241|4.277087|5.115457|4.082117|3.213009|3.985512|6.241224|7.219230|10.769228|6.709752|7.887323|17.785170|36.858105| |1.703774|1.896685|2.144730|14.513076|1.736737|18.522991|4.628532|4.405001|4.019892|3.749957|4.426204|6.417098|7.741966|5.247838|4.006834|4.543203|6.849442|7.827205|18.060573|8.014548|6.714636|10.529123|12.503817|36.858105| |1.310263|1.415941|1.548800|10.727485|1.335688|12.518100|3.084028|3.046520|2.650981|2.268784|2.439978|2.955788|3.419697|3.003953|2.472047|3.153859|5.040660|6.154089|6.262750|5.085045|7.954070|18.086412|8.026232|5.102957|36.858105| |1.225571|1.320699|1.428977|9.850626|1.241860|11.445042|2.802186|2.824931|2.396583|2.018572|2.162611|2.559457|2.875018|2.569687|2.171892|2.687185|4.305024|5.327936|4.968577|4.270556|6.197423|10.413365|5.083085|3.856377|12.486511|36.858105| |1.227896|1.328664|1.430780|9.762243|1.235925|11.506959|2.807757|2.875059|2.390627|2.010510|2.177714|2.575998|2.830577|2.497984|2.132792|2.550230|4.042989|5.059675|4.812317|4.288063|5.792281|9.127444|4.531383|3.705498|7.894013|15.874433|73.516695| |1.143403|1.222292|1.316446|9.152903|1.161681|10.398274|2.547454|2.560055|2.171026|1.801947|1.899390|2.195627|2.453007|2.260958|1.943322|2.408716|3.948043|4.754894|4.076332|3.386115|4.587512|7.026177|3.953007|3.109328|7.785254|13.957920|15.218951|53.358707| |1.074607|1.145431|1.223866|8.487862|1.087365|9.595739|2.344148|2.382226|1.986376|1.629356|1.712021|1.947294|2.136280|1.987688|1.740594|2.101343|3.458394|4.142504|3.438410|2.870763|3.644046|5.280660|3.098595|2.584760|5.002318|7.811101|12.544653|17.813102|36.858105| |1.021231|1.080993|1.152913|8.066987|1.037369|8.942330|2.185138|2.208867|1.852314|1.505416|1.560937|1.751101|1.924465|1.828483|1.615943|1.962077|3.286193|3.846774|3.038542|2.475391|3.061574|4.329984|2.676928|2.261146|4.010984|5.234471|8.165370|11.061311|12.455782|36.858105| |1.028665|1.087297|1.164654|8.198906|1.049784|9.036203|2.223098|2.212704|1.875892|1.527214|1.581312|1.777673|1.963894|1.868471|1.645478|2.015765|3.417751|3.899186|3.118881|2.470023|3.074549|4.503537|2.869097|2.360471|4.360105|5.183413|7.489782|11.079882|7.950009|12.448325|36.858105| |1.118322|1.188169|1.282086|9.014509|1.143380|10.043325|2.469617|2.448359|2.103805|1.736001|1.806006|2.065657|2.323684|2.187557|1.887803|2.377331|3.988387|4.635831|3.806542|3.028968|3.987950|6.020647|3.703670|2.899134|6.529543|7.528746|9.407353|17.799521|7.851013|7.950214|12.447870|36.858105| |17.710229|8.575644|5.722344|37.660441|8.895046|27.215441|6.097005|6.613596|4.489713|2.662845|2.388713|2.040126|1.910592|2.039583|2.390201|1.852806|3.295760|3.054653|2.274121|1.578766|1.412548|1.823841|1.401541|1.563550|1.226300|1.154090|2.059821|1.470586|1.020314|0.971420|0.976327|1.056329|0.500000| |8.536704|17.772587|8.984980|37.800881|5.723791|45.247684|9.129970|12.821438|6.243221|3.543952|3.240406|2.630925|2.356789|2.461676|2.944555|2.134107|3.688169|3.508806|2.733620|1.888863|1.646759|2.121682|1.634450|1.870928|1.400704|1.313763|2.363895|1.651275|1.140947|1.073050|1.075224|1.172991|0.199639|0.500000| |8.768450|5.687182|5.421208|55.254395|17.760288|25.839571|5.938821|5.634329|4.705562|2.781198|2.398304|2.068025|1.990655|2.191394|2.600249|2.031441|3.731975|3.282589|2.364624|1.616768|1.458087|1.880342|1.459845|1.618538|1.270483|1.183463|2.087953|1.515114|1.043817|1.000662|1.013983|1.100441|0.203635|0.122295|0.500000| |2.805678|3.479945|4.194020|24.124957|2.740210|48.944959|11.776465|11.806077|9.358707|8.857194|17.727829|8.939745|5.620679|4.915449|5.647567|3.514466|5.598158|5.579857|5.654190|3.549160|2.803029|3.641107|2.944171|3.848113|2.234589|2.008336|3.625901|2.411592|1.611944|1.469651|1.485173|1.680327|0.068777|0.097702|0.066667|0.500000| |2.095394|2.437046|2.798202|17.710207|2.086683|26.620934|6.580856|6.530083|5.633588|5.640071|8.971823|17.658755|8.937451|5.640500|5.005943|4.036843|6.071158|6.669974|9.704460|5.592413|4.055011|5.388582|4.494342|6.951118|3.060671|2.662736|4.834540|3.068944|2.001832|1.779487|1.803039|2.094139|0.052789|0.067990|0.052621|0.218126|0.500000| |2.875312|3.217944|4.036799|29.627269|3.113766|33.067793|6.947903|6.810781|10.154055|8.949349|5.680587|5.012558|5.659796|8.984927|17.738231|7.124352|12.400325|9.291271|5.671692|3.580959|2.958639|3.561803|2.833052|3.363746|2.268662|2.012759|3.495442|2.489720|1.648757|1.548599|1.578048|1.795609|0.069309|0.081836|0.078534|0.124245|0.108457|0.500000| |1.692747|1.895573|2.099463|13.857204|1.694573|17.980950|4.253244|4.521303|3.889132|3.568012|4.147652|5.687763|6.574748|4.824379|3.788981|4.288899|6.056507|8.501185|12.274510|17.361907|8.850209|9.332425|5.833203|7.152922|4.637280|4.138066|7.857489|4.414508|2.820892|2.392537|2.352010|2.828070|0.043514|0.052814|0.043721|0.101601|0.168490|0.089437|0.500000| |1.781887|1.978964|2.214168|14.925718|1.806919|18.592499|4.279106|4.569745|4.222178|3.914555|4.148754|5.362205|7.424463|6.380135|4.588175|6.296177|8.017877|14.614930|12.632806|17.695997|8.975792|7.668425|5.026702|5.780284|4.227063|3.730975|6.660451|4.211300|2.689391|2.366546|2.336079|2.811623|0.045564|0.054352|0.046771|0.097004|0.136561|0.109721|0.297664|0.500000| |1.448082|1.579924|1.728107|11.786755|1.465246|14.088691|3.356615|3.491801|3.037444|2.644650|2.835466|3.490089|4.183784|3.657804|2.928653|3.848203|5.688340|8.311278|7.729720|8.875285|17.564870|12.488267|5.709076|5.021182|7.210650|6.973493|12.540093|6.887454|4.138209|3.362370|3.232747|4.127799|0.037574|0.043639|0.038435|0.070776|0.098066|0.073768|0.217120|0.211874|0.500000| |1.522700|1.653772|1.835550|12.769394|1.562781|14.922943|3.565904|3.595195|3.303005|2.918318|3.039141|3.763749|4.925809|4.499570|3.398188|5.208480|7.576978|11.624620|9.698624|9.004622|17.467896|12.235475|6.954845|5.817126|7.202104|5.492481|8.556183|6.060570|3.509871|3.079760|3.157318|4.145042|0.039224|0.045081|0.041098|0.073799|0.100779|0.086003|0.174765|0.224261|0.298970|0.500000| |1.438601|1.571552|1.741641|11.979033|1.468007|14.456047|3.667932|3.465538|3.038151|2.652201|2.975004|3.741992|4.170405|3.408166|2.808909|3.287841|5.317646|5.869596|7.736409|5.005154|5.695903|12.500299|17.487845|8.850028|7.288001|4.860588|7.755221|5.246131|3.045354|2.628707|2.856467|3.630548|0.037115|0.043126|0.038505|0.075935|0.112433|0.069546|0.131038|0.110021|0.128083|0.141674|0.500000| |1.514915|1.646773|1.844667|12.915460|1.564067|15.186301|3.790982|3.574742|3.300853|2.921838|3.142887|3.953815|4.903783|4.197207|3.274618|4.349077|7.018234|7.744166|9.684922|5.804799|6.932939|12.246105|17.421778|8.928470|7.259875|4.618637|7.044747|5.209724|2.982797|2.663429|2.921015|3.807345|0.038872|0.044698|0.041131|0.077323|0.109869|0.081622|0.133254|0.130977|0.141592|0.201783|0.299752|0.500000| |1.764134|1.963526|2.242476|15.295378|1.810305|19.474905|4.989030|4.522516|4.220645|3.934693|4.636948|6.465591|7.316162|5.238822|4.146658|4.422860|6.991657|7.169870|12.554559|5.748091|4.995879|7.656585|8.908243|17.577973|4.228720|3.268860|5.534393|3.732773|2.308765|2.062120|2.177172|2.630613|0.044758|0.053439|0.046836|0.112190|0.188409|0.096644|0.145004|0.128922|0.109785|0.130046|0.212222|0.219962|0.500000| |1.678433|1.880583|2.106023|13.992409|1.691716|18.358815|4.613184|4.469288|3.870110|3.556794|4.385456|6.331555|6.481899|4.449831|3.610028|3.776635|5.752540|6.626272|12.204872|7.116110|5.852640|9.423308|8.898539|17.371449|4.679452|3.761054|6.726399|4.082798|2.545921|2.195916|2.259864|2.726855|0.042961|0.052102|0.043651|0.110406|0.220353|0.084405|0.212215|0.144517|0.131837|0.133720|0.218286|0.174607|0.300639|0.500000| |1.308728|1.406202|1.541693|10.800623|1.342569|12.342372|3.030589|2.977433|2.638534|2.248775|2.366564|2.826463|3.343075|3.049012|2.497598|3.343351|5.427936|6.581871|6.002206|4.736940|7.302350|12.352227|6.933876|4.628357|17.432357|8.860063|10.545718|10.051549|4.758534|4.117332|4.672912|7.478024|0.033995|0.038425|0.035607|0.059733|0.079190|0.064513|0.114502|0.114781|0.179950|0.221854|0.167893|0.207698|0.110791|0.112921|0.500000| |1.267545|1.367390|1.493337|10.357846|1.292392|12.053513|3.006823|2.925968|2.525332|2.144028|2.317898|2.779441|3.127883|2.745286|2.302947|2.829594|4.624626|5.342363|5.539480|4.211530|5.720024|12.550148|7.639755|4.813748|17.487000|9.085090|11.525851|9.254776|4.595054|3.779895|4.293811|6.182042|0.032994|0.037582|0.034195|0.059645|0.080944|0.058825|0.110093|0.098290|0.144327|0.147335|0.233509|0.191906|0.115899|0.125283|0.303125|0.500000| |1.041812|1.111206|1.183926|8.182517|1.051287|9.292130|2.281820|2.314441|1.907554|1.559294|1.649633|1.870668|2.020803|1.865881|1.647658|1.941259|3.204540|3.774031|3.226922|2.658861|3.273452|4.892372|2.935468|2.471628|4.504451|6.706011|11.802521|12.337365|17.525081|8.749032|6.584804|6.178195|0.027524|0.030828|0.028022|0.043489|0.053944|0.043249|0.073965|0.068602|0.101353|0.085958|0.082234|0.077340|0.061709|0.068768|0.114568|0.121589|0.500000| 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