Version2.0 2020-01-31T05:18:46Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)C[NH+](Cc2cc3cccc(c3[nH]c2=O)C)Cc4nnnn4Cc5ccc(cc5)F C13065484 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)C[NH+](Cc2cc3cccc(c3[nH]c2=O)C)Cc4nnnn4Cc5ccc(cc5)F C01[X(C28H28F1N6O1)] 186 C1 596 Cc1ccc(cc1)C[NH+](Cc1cc2cccc(c2[nH]c1=O)C)Cc1nnnn1Cc1ccc(cc1)F Cc1ccc(cc1)C[NH+](Cc1cc2cccc(c2[nH]c1=O)C)Cc1nnnn1Cc1ccc(cc1)F Cc1ccc(C[NH+](Cc2nnnn2Cc3ccc(F)cc3)CC4=Cc5cccc(C)c5NC4=O)cc1 InChIKey=OXFRTBURZCWVPV-UHFFFAOYSA-O InChI=1S/C28H27FN6O/c1-19-6-8-21(9-7-19)15-34(17-24-14-23-5-3-4-20(2)27(23)30-28(24)36)18-26-31-32-33-35(26)16-22-10-12-25(29)13-11-22/h3-14H,15-18H2,1-2H3,(H,30,36)/p+1 InChI=1/C28H27FN6O/c1-19-6-8-21(9-7-19)15-34(17-24-14-23-5-3-4-20(2)27(23)30-28(24)36)18-26-31-32-33-35(26)16-22-10-12-25(29)13-11-22/h3-14H,15-18H2,1-2H3,(H,30,36)/p+1/fC28H28FN6O/h30,34H/q+1 Cc1ccc(cc1)C[NH+](Cc2cc3cccc(c3[nH]c2=O)C)Cc4nnnn4Cc5ccc(cc5)F C01[X(C28H28F1N6O1)] 186 C01 596 Cc1ccc(cc1)C[NH+](Cc1cc2cccc(c2[nH]c1=O)C)Cc1nnnn1Cc1ccc(cc1)F Cc1ccc(cc1)C[NH](Cc1cc2cccc(c2[nH]c1=O)C)C[C@H]1NNNN1Cc1ccc(cc1)F Cc1ccc(C[NH](C[C@H]2NNNN2Cc3ccc(F)cc3)CC4=Cc5cccc(C)c5NC4=O)cc1 InChIKey=YQHOWCBLBBWWPW-SANMLTNESA-N InChI=1S/C28H32FN6O/c1-19-6-8-21(9-7-19)15-34(17-24-14-23-5-3-4-20(2)27(23)30-28(24)36)18-26-31-32-33-35(26)16-22-10-12-25(29)13-11-22/h3-14,26,31-34H,15-18H2,1-2H3,(H,30,36)/t26-/m0/s1 InChI=1/C28H32FN6O/c1-19-6-8-21(9-7-19)15-34(17-24-14-23-5-3-4-20(2)27(23)30-28(24)36)18-26-31-32-33-35(26)16-22-10-12-25(29)13-11-22/h3-14,26,31-34H,15-18H2,1-2H3,(H,30,36)/t26-/m0/s1/f/h30H 3813.0884034594 -1577.4081127 1-A 18445.8263 127 469 596 |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| -26.40461 -20.63919 -15.83210 -15.78866 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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| 13.0302 19.9086 21.2313 24.9045 30.0042 32.7324 43.1571 50.0559 52.1372 67.7848 73.6209 82.7812 116.7694 135.3283 149.7010 151.1794 165.6625 197.1838 209.5037 212.8606 242.1619 262.6583 275.0495 293.8920 296.4942 320.7056 328.3727 333.5637 352.6479 379.6966 394.0299 407.0492 418.1317 424.7735 444.5222 456.4892 459.6273 465.5192 466.6184 479.7918 515.9284 540.6407 549.8416 570.0955 585.1736 592.2371 598.5262 606.0716 622.8486 642.4751 694.2487 701.6917 715.1417 740.0499 749.1967 765.1166 775.4807 785.1257 797.7188 810.4934 827.6605 828.0923 841.9929 856.1472 866.8774 885.1606 892.8915 905.6780 922.0152 924.1471 937.1268 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3353.6431 3361.0468 3368.4570 3370.9977 3372.3503 3372.4572 3375.1644 3379.0769 3379.8103 3381.7741 3403.2370 3407.6903 3409.6658 3672.4564 3858.2546 6.7452 5.1253 6.7106 6.0543 1.0366 4.7118 5.3357 3.8732 4.7870 7.9917 4.9513 4.6720 6.1391 6.6243 4.7703 5.3595 5.1836 5.1535 2.2202 1.5526 3.3954 5.0141 5.3568 4.5279 4.0043 3.4503 2.8431 3.1379 3.0499 3.6749 3.8617 3.2534 3.0856 2.8440 3.2948 4.4421 2.9620 3.0915 5.1947 3.9176 4.2430 3.7968 4.0485 3.3877 5.6180 3.3727 4.5522 3.3728 3.5409 4.6262 6.6737 6.6554 1.3030 4.4129 6.1252 4.0723 4.4416 3.5495 4.4646 10.8476 3.8669 4.1288 4.4959 4.0645 4.2512 1.4907 3.7513 3.1461 5.3393 2.2209 1.2532 2.2578 1.8329 1.2983 2.9216 3.0566 2.0391 1.9221 1.3143 2.3900 1.4229 1.6923 1.3567 1.4375 1.3784 2.5247 2.5907 1.4572 1.3588 2.1905 2.2322 3.9590 2.6755 3.0182 1.5771 1.4928 2.5294 1.7554 1.8936 3.3854 2.0430 5.3095 1.9461 1.1922 2.1983 3.1338 1.3297 2.5607 3.0643 1.9353 2.1482 1.7624 1.4749 1.7312 2.1202 3.9875 2.3123 2.2593 3.3875 1.2814 1.5484 1.5295 1.2872 1.5657 1.3191 1.2618 1.6223 1.6735 1.3334 1.3087 1.6918 1.5171 1.6908 2.5235 3.9862 1.5312 1.8719 1.0970 1.2182 1.0996 1.0612 1.2456 1.1417 1.5631 1.2294 1.5306 3.4194 2.4182 2.6882 8.2050 5.4192 5.5072 6.5693 5.5751 5.3028 5.6164 6.3097 6.7833 1.0414 1.0383 1.1021 1.0641 1.1010 1.0674 1.0652 1.1039 1.0607 1.0989 1.1059 1.1067 1.0935 1.0926 1.0906 1.1087 1.1006 1.0917 1.0901 1.0919 1.0956 1.0929 1.0954 1.0976 1.0959 1.0957 1.0784 1.0780 0.0007 0.0012 0.0018 0.0022 0.0005 0.0030 0.0059 0.0057 0.0077 0.0216 0.0158 0.0189 0.0493 0.0715 0.0630 0.0722 0.0838 0.1181 0.0574 0.0414 0.1173 0.2038 0.2388 0.2304 0.2074 0.2091 0.1806 0.2057 0.2235 0.3122 0.3533 0.3176 0.3178 0.3023 0.3836 0.5454 0.3687 0.3947 0.6664 0.5313 0.6654 0.6539 0.7211 0.6487 1.1334 0.6970 0.9608 0.7299 0.8093 1.1251 1.8952 1.9307 0.3926 1.4239 2.0256 1.4046 1.5737 1.2891 1.6739 4.1984 1.5607 1.6682 1.8779 1.7553 1.8823 0.6882 1.7621 1.5204 2.6743 1.1175 0.6484 1.2134 0.9888 0.7136 1.6255 1.7756 1.2223 1.2140 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1.8504 8.1556 2.6946 0.1847 1.0900 9.8196 4.9500 7.4920 3.4133 33.9496 4.2407 21.1290 6.2428 1.9186 0.3906 6.2290 5.3073 2.0788 0.4082 72.2533 20.7700 3.9039 4.7746 6.4426 3.2447 15.9769 0.6913 1.6625 10.1787 27.1501 31.3227 48.9147 44.4185 46.4285 21.6508 14.5919 19.8131 4.4359 70.5846 45.1939 5.2131 10.5294 85.9827 48.1096 2.0644 1.6956 3.6173 1.9398 14.4300 2.3514 3.9432 0.1242 2.8241 2.8030 1.3359 2.0878 40.9104 9.9636 2.4368 8.5996 21.5503 8.7830 0.2290 17.4782 4.5955 1.0541 26.9951 17.7759 18.9221 0.7290 12.2967 1.7595 12.2509 21.0352 4.0016 3.8764 12.5520 1.1479 2.6278 0.3529 57.1650 12.6910 125.8048 0.2551 19.2465 4.3321 13.5759 10.9965 18.0006 3.3024 58.4236 4.1749 4.1113 27.5809 7.3418 28.8205 35.5674 8.4063 1.6705 16.2702 12.1089 41.3015 149.7682 54.0156 3.8163 20.1548 15.2301 11.1486 11.8728 12.5586 1.9959 26.8471 15.2395 57.1387 12.4886 90.3814 7.5101 0.1580 43.0024 5.4398 99.5075 26.3548 44.8343 66.9471 986.1323 17.6638 21.4146 15.9079 11.3566 16.3659 1.6938 9.7853 16.6659 2.4232 11.7147 0.8328 1.7196 5.5792 10.6383 2.9497 1.3887 30.4464 5.7355 1.9207 2.9239 9.9374 10.3870 6.9701 11.0290 0.7352 0.9473 40.2332 74.2556 0.5910 4.0177 5.3781 2.1791 0.4858 1.8857 2.8100 9.3010 6.4668 2.8015 0.5801 2.4556 0.2631 0.5861 0.5468 0.8474 0.4242 0.9267 3.0942 0.5987 0.5126 0.7837 0.7208 2.4441 2.9201 0.4144 0.7615 1.9874 0.6371 3.3386 4.2834 4.2237 2.0833 2.1399 1.2510 0.0981 0.1243 0.1704 4.3320 2.4678 2.3011 1.0748 1.6008 0.4387 8.2179 0.5418 0.4033 0.0857 1.7461 1.7482 4.6843 6.8056 3.9694 1.4896 17.4749 0.2044 1.3402 2.4596 1.5880 0.1219 8.9542 0.8038 0.6929 1.2754 2.9461 2.5791 12.2477 18.4829 23.8491 5.0734 2.3303 7.4933 3.9177 1.9743 13.7178 10.6857 5.4503 0.5550 0.9268 8.5632 1.1792 3.9913 1.0563 4.6565 0.2518 0.1160 1.6675 0.9775 0.7279 7.3501 7.3359 11.3877 8.8279 9.2972 0.4245 0.3381 9.9577 1.0604 0.3462 3.6916 6.1072 4.6984 8.2975 3.6950 4.2776 2.1669 20.3098 13.9848 6.0458 1.6172 3.4068 8.5920 6.4767 26.1351 25.1751 12.3989 20.5665 24.7405 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1.00783 1.00783 13118.3277 22816.1229 31034.6231 1.00000 0.00192 -0.00046 -0.00193 0.99988 -0.01521 0.00043 0.01521 0.99988 1 0.00660 0.00380 0.00279 0.13757 0.07910 0.05815 18.75 28.64 30.55 35.83 43.17 47.09 62.09 72.02 75.01 97.53 105.92 119.10 168.01 194.71 215.39 217.51 238.35 283.70 301.43 306.26 348.42 377.91 395.73 422.84 426.59 461.42 472.46 479.92 507.38 546.30 566.92 585.65 601.60 611.15 639.57 656.79 661.30 669.78 671.36 690.31 742.31 777.86 791.10 820.24 841.93 852.10 861.15 872.00 896.14 924.38 998.87 1009.58 1028.93 1064.77 1077.93 1100.83 1115.74 1129.62 1147.74 1166.12 1190.82 1191.44 1211.44 1231.80 1247.24 1273.55 1284.67 1303.07 1326.57 1329.64 1348.32 1374.16 1376.74 1389.66 1398.13 1428.64 1451.23 1489.68 1509.81 1541.64 1553.74 1562.93 1575.58 1585.04 1591.68 1602.50 1605.52 1609.61 1612.25 1622.72 1636.53 1646.34 1652.42 1683.19 1691.41 1693.46 1700.32 1713.25 1737.97 1759.73 1792.64 1822.00 1838.98 1849.86 1873.72 1878.89 1889.42 1898.91 1901.94 1907.00 1923.30 1959.22 1969.72 1987.74 1999.39 2002.76 2014.54 2023.99 2049.60 2063.25 2070.64 2105.60 2124.36 2175.46 2194.14 2199.88 2223.37 2234.76 2256.23 2258.66 2262.61 2272.06 2273.83 2276.70 2311.75 2318.45 2346.36 2347.18 2350.42 2353.69 2354.43 2358.46 2363.60 2371.52 2374.92 2390.05 2413.65 2436.27 2441.75 2516.34 2545.82 2564.54 2579.99 2602.29 2615.25 2618.69 2627.44 2740.48 4605.29 4623.79 4681.89 4705.89 4710.11 4716.89 4724.13 4742.40 4751.52 4756.11 4793.65 4816.80 4824.01 4825.14 4835.80 4846.46 4850.11 4852.06 4852.21 4856.11 4861.74 4862.79 4865.62 4896.50 4902.91 4905.75 5283.85 5551.17 0.564369 0.593544 0.594488 0.499040 -1576.843743 -1576.814569 -1576.813625 -1576.909073 3.201342D-04 MUNgauss RevisionA2.0 retrievium 31-Jan-2020 DUDE Cc1ccc(cc1)C[NH+](Cc2cc3cccc(c3[nH]c2=O)C)Cc4nnnn4Cc5ccc(cc5)F C13065484 RHF 6-31G(d) (6D,10F) C1 483.230863 |X|Y|Z| 76.418815 105.338738 38.855119 67.880581 32 6 7 26 6 |36.858105| |12.617995|36.858105| |7.551567|13.665556|36.858105| |5.014674|7.881291|13.794416|36.858105| |4.415231|6.791270|7.916760|13.670006|36.858105| |5.009017|7.891028|6.901700|7.954720|13.727979|36.858105| |7.541249|13.717510|7.978514|6.889997|7.909973|13.747561|36.858105| |3.273622|4.420068|5.034498|7.581777|12.658202|7.565925|5.022836|36.858105| |2.899586|3.736305|4.269318|5.944315|7.573344|5.447783|4.068108|12.517610|53.358707| |3.046794|3.932851|4.741630|6.775324|7.385618|5.128274|4.053803|9.324182|25.664665|0.500000| |2.848349|3.592630|3.819288|4.784902|6.138023|5.345387|4.078265|7.574469|17.116359|0.257145|36.858105| |2.542803|3.062399|3.269789|3.868100|4.389750|3.936389|3.305366|4.944718|10.270679|0.200743|12.680040|36.858105| |2.665037|3.150815|3.371527|3.816072|4.049808|3.692627|3.280480|4.149255|7.719666|0.171223|7.615385|14.160904|36.858105| |2.303346|2.614254|2.773349|3.028514|3.115286|2.899242|2.669895|3.187607|5.569778|0.122306|4.965174|7.805888|13.245582|36.858105| |2.290185|2.525780|2.666487|2.802475|2.784204|2.627955|2.512331|2.744254|4.530532|0.101140|3.816337|5.116062|7.648622|13.578319|36.858105| |1.986498|2.146567|2.250331|2.343287|2.324723|2.212473|2.131960|2.314384|3.733132|0.081848|3.067995|3.937644|5.107459|7.945821|13.932801|36.858105| |1.781886|1.932436|2.022186|2.134698|2.151916|2.046223|1.944920|2.197755|3.565925|0.076552|2.932925|3.797586|4.542732|6.911435|7.966872|13.607265|36.858105| |1.779498|1.960138|2.055387|2.214818|2.277900|2.152352|2.003376|2.388328|3.973318|0.083788|3.331060|4.514671|5.104086|7.809517|6.763268|7.819106|13.828771|36.858105| |1.997632|2.248780|2.371890|2.607191|2.723684|2.545263|2.322493|2.890288|5.027189|0.105902|4.414516|6.766276|7.846686|13.651405|7.875309|6.868032|8.024284|13.564408|36.858105| |1.952164|2.227040|2.346827|2.639264|2.842666|2.641570|2.345807|3.153228|5.640080|0.113095|5.079974|7.968916|7.002288|7.994132|5.192044|4.583546|5.216740|7.864130|13.773796|53.358707| |1.777168|2.007372|2.105740|2.353273|2.530636|2.368537|2.114504|2.823450|4.881634|0.096698|4.215388|5.808991|5.124774|5.794263|4.256576|4.015312|4.795954|7.295790|9.229066|25.998943|0.500000| |2.131314|2.493130|2.635902|3.055920|3.420531|3.132480|2.681050|3.969453|7.602791|0.143500|7.512193|12.985842|7.830605|6.694598|4.484109|3.768106|3.954171|5.142210|7.794109|19.099139|0.266004|36.858105| |2.003884|2.342471|2.463595|2.875499|3.284606|3.020669|2.549917|3.982785|7.339456|0.130173|6.724862|8.087232|5.373114|4.695965|3.489579|3.058178|3.239929|4.084874|5.387247|11.557198|0.219797|15.722190|73.516695| |1.578734|1.729990|1.806099|1.948995|2.019159|1.916146|1.778415|2.149029|3.511772|0.072522|2.887554|3.698388|3.835777|4.976963|4.401780|4.979932|7.551007|12.606450|7.497806|8.955878|0.210513|4.487936|6.904130|36.858105| |2.386652|2.931111|3.310271|4.311773|4.995077|3.933809|3.126934|7.642413|17.333210|0.260586|7.577731|6.116551|4.597709|3.668303|2.986590|2.557882|2.528900|2.878531|3.563284|5.714871|0.105247|5.624523|10.761177|2.638395|36.858105| |2.308487|2.792412|3.271943|4.243505|4.418419|3.421090|2.846381|6.001426|10.665789|0.221794|5.108638|4.628112|3.924307|3.304273|2.808495|2.444555|2.402054|2.670121|3.186664|4.842514|0.090732|4.297232|7.798373|2.455421|12.730975|36.858105| |2.542798|3.099856|3.817805|5.083416|4.806344|3.576496|3.041031|5.925572|9.540359|0.236054|4.632202|4.224549|3.851225|3.238881|2.847764|2.458274|2.355016|2.543764|3.001618|4.337466|0.080345|3.707751|6.406499|2.296287|7.734787|14.737971|53.358707| |2.260928|2.659026|3.225295|3.991188|3.682161|2.905599|2.566646|4.258329|6.419312|0.149300|3.521921|3.363215|3.164821|2.809900|2.543963|2.260713|2.184348|2.331798|2.659120|3.788518|0.071836|3.098013|5.401019|2.141555|5.361914|9.063600|19.390341|53.358707| |1.996808|2.317329|2.713701|3.280262|3.174399|2.590765|2.282944|3.772214|5.765428|0.125833|3.281172|3.182602|2.927979|2.656958|2.382025|2.155257|2.130404|2.307231|2.602581|3.792054|0.073465|3.082111|5.531759|2.169507|5.295093|8.922342|12.195399|20.757104|53.358707| |2.007734|2.358439|2.714714|3.340933|3.407685|2.778612|2.385530|4.316620|6.967696|0.143617|3.867320|3.700743|3.235901|2.882370|2.501178|2.244735|2.246412|2.494184|2.874326|4.359480|0.084619|3.676987|6.831132|2.359541|7.516953|14.345927|12.184147|12.423709|19.480860|53.358707| |1.764765|2.037552|2.277249|2.712796|2.826955|2.408336|2.087332|3.516168|5.573751|0.110052|3.386056|3.325066|2.882147|2.650097|2.296357|2.107969|2.163060|2.436757|2.751131|4.280081|0.086321|3.538001|6.890729|2.387501|5.905732|7.456360|7.260263|7.464803|10.656308|17.675421|36.858105| |1.685310|1.928884|2.131040|2.494345|2.601474|2.261119|1.979128|3.148429|5.221859|0.104120|3.397263|3.571273|3.096408|2.947250|2.514062|2.338231|2.462973|2.848470|3.194626|5.095639|0.105755|4.061053|7.913827|2.853333|5.289472|5.863617|6.064939|6.037806|7.684402|10.482684|12.590940|36.858105| |1.626436|1.856355|2.010988|2.332279|2.492147|2.218556|1.935565|3.016824|5.000772|0.096236|3.459671|3.680236|3.103439|2.977600|2.497716|2.338248|2.513366|2.985616|3.349495|5.639074|0.122751|4.508580|9.487076|3.090258|4.951158|4.743155|5.001661|4.753952|5.602765|7.330791|7.561251|13.751044|36.858105| |1.539357|1.736952|1.862810|2.119812|2.249234|2.040380|1.807074|2.633070|4.352933|0.085224|3.178263|3.562498|3.085718|3.104565|2.604780|2.498532|2.778969|3.393493|3.679178|6.274859|0.147069|4.582212|9.305902|3.710513|3.968682|3.754616|4.214871|4.022911|4.554445|5.513738|5.011727|7.896248|13.725129|36.858105| |1.509915|1.690257|1.823788|2.054705|2.132009|1.929288|1.733403|2.435086|4.022286|0.081521|2.924276|3.374091|3.069293|3.216988|2.753204|2.700568|3.056576|3.715686|3.856941|6.165350|0.142771|4.181395|7.723935|4.126336|3.527388|3.511537|4.109912|4.021682|4.517356|5.188780|4.466153|6.920930|8.030634|13.865194|36.858105| |1.552703|1.739255|1.905711|2.154594|2.190188|1.949996|1.758946|2.490412|4.111292|0.085679|2.872415|3.274901|3.052260|3.172444|2.772152|2.700781|2.970045|3.463088|3.620810|5.459604|0.117564|3.799852|6.766232|3.615023|3.617609|3.870617|4.612905|4.686387|5.380752|5.964880|5.020115|7.900225|6.867443|7.888087|13.776371|36.858105| |1.640747|1.857397|2.062610|2.375408|2.410025|2.102326|1.875449|2.804646|4.637864|0.096708|3.073470|3.363724|3.066586|3.034802|2.641544|2.499463|2.650764|3.032131|3.304162|5.026452|0.104071|3.758173|6.840565|3.035688|4.308464|4.965921|5.687810|5.947770|7.368379|8.459181|7.555548|13.658322|7.947641|6.859773|8.023364|13.808747|36.858105| |1.423803|1.576411|1.683536|1.865911|1.929680|1.774900|1.614852|2.155067|3.502260|0.071301|2.621631|3.066417|2.876907|3.138885|2.743652|2.787985|3.279444|4.018050|3.881315|5.968256|0.144094|3.787377|6.790706|4.876077|2.932925|2.879253|3.484599|3.405825|3.716796|4.131264|3.406092|4.668877|5.315705|8.183638|14.344870|8.168526|5.319002|97.533100| |17.546155|8.876953|6.455576|4.521919|3.976061|4.395440|6.114389|3.041391|3.613808|0.076951|2.558036|2.282794|2.358570|2.062945|2.045928|1.799185|1.630606|1.631921|1.817287|2.434095|0.045610|1.948526|3.295181|1.463163|2.235870|2.190425|3.287709|2.968564|2.629376|2.623364|1.698747|1.608599|1.547454|1.458994|1.429677|1.473765|1.563723|3.029183|0.500000| |17.591461|8.838717|5.593671|4.176405|3.949334|4.724302|7.173795|3.020671|3.684852|0.077666|2.743118|2.461503|2.577737|2.244423|2.235501|1.949293|1.752447|1.748615|1.955525|2.600990|0.048451|2.078635|3.479830|1.555237|2.243449|2.136189|3.139567|2.796649|2.506174|2.543963|1.664915|1.602546|1.562744|1.488746|1.456303|1.484762|1.557015|3.108497|0.301979|0.500000| |17.573962|8.845783|6.971436|4.669620|3.953403|4.224658|5.708177|3.023889|3.778526|0.082670|2.728949|2.506949|2.690861|2.359092|2.394853|2.078205|1.841380|1.816509|2.026468|2.655211|0.049231|2.101523|3.475635|1.600578|2.304365|2.259805|3.422103|3.074179|2.702001|2.690016|1.734273|1.667981|1.601951|1.525067|1.510067|1.561278|1.642444|3.215774|0.302265|0.301448|0.500000| |7.010084|8.901375|17.713194|8.964867|5.643233|4.966645|5.661074|4.108615|4.991239|0.115078|3.279421|2.933105|3.083738|2.618408|2.576479|2.200684|1.967197|1.974916|2.245208|2.985105|0.054970|2.413491|3.999619|1.737050|2.977462|3.048408|4.937392|4.337332|3.616678|3.524880|2.173149|2.037775|1.905104|1.773308|1.756109|1.852832|2.001845|3.660434|0.176949|0.141513|0.205297|0.500000| |4.095993|5.625275|8.946929|17.695041|8.874793|5.645413|4.959389|7.016030|8.196997|0.205176|4.507587|3.797388|3.743077|3.026316|2.799876|2.357765|2.158460|2.242313|2.628860|3.622690|0.066142|3.058476|5.122738|1.978381|4.625032|4.948502|8.920373|6.832861|5.295574|5.226739|2.997237|2.711491|2.471252|2.222726|2.171770|2.319880|2.601980|4.391974|0.106079|0.096222|0.110667|0.217058|0.500000| |4.092366|5.633874|4.965118|5.642514|8.892299|17.692315|8.944062|6.983162|7.054934|0.127708|5.446357|3.916843|3.544562|2.808644|2.511523|2.135878|2.004032|2.131446|2.519936|3.629741|0.066951|3.200589|5.616912|1.918994|3.888472|3.256822|4.444472|3.649495|3.338916|3.648593|2.379492|2.245614|2.245612|2.067460|1.928993|1.922027|2.061822|4.000650|0.102363|0.112550|0.097564|0.107726|0.123835|0.500000| |6.981513|8.914231|5.658196|4.961139|5.643107|8.947394|17.719944|4.100473|4.691868|0.093979|3.585245|2.981551|2.963864|2.469331|2.342630|2.014140|1.845774|1.895431|2.172995|2.984860|0.055363|2.477828|4.216583|1.694506|2.749451|2.492123|3.557348|3.061354|2.769549|2.899595|1.900118|1.816143|1.795226|1.690589|1.619376|1.629960|1.722214|3.422617|0.161281|0.217832|0.145515|0.124194|0.107639|0.217119|0.500000| |3.020036|3.949828|4.182239|5.588488|8.827681|7.210058|4.738395|17.623064|12.368426|0.182527|7.208756|4.636172|3.787814|2.969785|2.547532|2.177426|2.094796|2.294564|2.758801|4.180462|0.077510|3.903772|7.269196|2.096116|6.795255|5.033470|6.333252|4.871371|4.522765|5.265674|3.338793|3.013532|2.984898|2.608602|2.365559|2.368440|2.637979|4.734851|0.078536|0.079497|0.076595|0.096321|0.141105|0.219449|0.112912|0.500000| |3.036977|3.972931|4.690992|6.984024|8.887557|5.770916|4.262853|17.661726|12.398223|0.218725|5.598679|4.135025|3.566689|2.859819|2.503250|2.148593|2.053282|2.221314|2.636407|3.899999|0.072487|3.505379|6.349375|2.023557|7.524315|6.902103|9.577137|6.808392|5.939650|6.718660|3.857458|3.282812|3.052255|2.609010|2.419345|2.516480|2.903105|4.768830|0.080466|0.076890|0.078609|0.111031|0.204005|0.147157|0.098452|0.300800|0.500000| |3.312960|4.310004|4.425513|5.426307|7.313964|6.891599|5.104276|7.442096|12.474111|0.219439|17.681782|8.919421|7.148096|4.674281|3.786820|3.010588|2.800156|3.076428|3.962998|5.802997|0.099682|5.626764|8.901910|2.642408|5.617581|4.258236|5.619426|4.366327|3.987146|4.512222|2.897928|2.872923|2.895396|2.701010|2.531263|2.505837|2.657234|5.207836|0.080738|0.089205|0.087123|0.102005|0.132255|0.191457|0.122492|0.194953|0.147593|0.500000| |2.591533|3.201104|3.307577|4.032845|5.242477|4.875744|3.719716|6.776969|12.370220|0.181582|17.653637|8.907779|5.717834|4.198949|3.294487|2.751736|2.700418|3.104393|3.995963|6.573200|0.116504|7.255570|13.607826|2.791433|7.140351|4.646976|5.492207|4.327893|4.165660|5.000339|3.364020|3.371466|3.572523|3.262001|2.902020|2.777820|2.962141|5.856112|0.065591|0.070295|0.068239|0.079540|0.105543|0.149294|0.093820|0.210525|0.144169|0.300418|0.500000| |3.097840|3.714707|3.990852|4.427184|4.561292|4.173904|3.795902|4.329263|7.575124|0.176448|7.008050|9.061585|17.676216|8.820973|7.056144|4.692956|3.957795|4.148743|5.618526|6.827590|0.110370|5.572051|7.617357|3.216601|4.236217|3.733872|5.238870|4.286024|3.857228|4.155508|2.666505|2.776315|2.730746|2.672780|2.664799|2.698529|2.755236|5.628781|0.074544|0.082625|0.087745|0.100501|0.117498|0.107189|0.093598|0.106997|0.102228|0.212632|0.143673|0.500000| |2.547221|2.790267|2.946172|3.024401|2.938066|2.786262|2.722038|2.798427|4.508847|0.102440|3.734524|4.694485|7.010121|8.875448|17.715988|8.952849|5.645604|4.894724|5.619750|5.727673|0.097918|3.904443|5.570620|3.525775|2.886353|2.743542|3.886767|3.462133|3.181272|3.294157|2.187719|2.338729|2.294754|2.345311|2.454303|2.504928|2.440903|5.435568|0.062433|0.068831|0.075179|0.079676|0.083162|0.072665|0.070180|0.071367|0.070724|0.107111|0.088336|0.213319|0.500000| |1.934545|2.053882|2.143698|2.192414|2.147683|2.058475|2.016540|2.109078|3.320737|0.072915|2.678417|3.284051|4.130844|5.639754|8.961368|17.744476|8.876373|5.608766|4.951814|4.958074|0.091211|3.118065|4.644688|4.080270|2.273956|2.203765|3.054308|2.846346|2.704099|2.776872|1.914965|2.097648|2.082480|2.209626|2.388291|2.412074|2.247412|5.560391|0.048790|0.052823|0.056752|0.058933|0.061226|0.054961|0.053213|0.055129|0.054793|0.074137|0.067212|0.111051|0.214765|0.500000| |1.632477|1.750760|1.824768|1.911355|1.919912|1.835345|1.757014|1.958064|3.117048|0.066537|2.521937|3.139840|3.615811|4.972281|5.676908|8.917391|17.720640|9.007162|5.684649|5.725041|0.112989|3.301244|5.000729|7.036600|2.236522|2.148148|2.870328|2.704197|2.656459|2.777853|1.987111|2.259002|2.307273|2.570574|2.853112|2.768135|2.446012|7.064961|0.041778|0.044701|0.046901|0.049624|0.053758|0.050050|0.046608|0.052121|0.051277|0.067210|0.065467|0.090123|0.124442|0.215938|0.500000| |1.555059|1.704642|1.761052|1.899622|1.995525|1.916267|1.772717|2.131081|3.453775|0.070034|2.897317|3.658415|3.674603|4.544650|3.939161|4.272125|5.885814|8.811459|6.629796|8.908003|0.223946|4.564556|7.222304|17.527502|2.590533|2.359997|2.976547|2.755711|2.797715|3.073567|2.304437|2.727347|3.033080|3.641390|3.832722|3.269137|2.809900|10.031038|0.040044|0.042821|0.043506|0.046719|0.053065|0.053932|0.047247|0.058560|0.055390|0.073696|0.079585|0.085733|0.089827|0.099339|0.153246|0.500000| |1.547585|1.704479|1.795873|1.957770|2.026337|1.899539|1.749296|2.190753|3.606938|0.074379|2.894195|3.667677|3.675074|4.543873|3.933830|4.262555|5.867794|8.794840|6.632751|8.935499|0.225016|4.583489|7.267042|17.535712|2.793544|2.629033|3.300098|3.105563|3.197224|3.501138|2.650271|3.276244|3.583551|4.517213|5.311348|4.454393|3.553759|15.156777|0.040041|0.042105|0.043485|0.048040|0.055774|0.052790|0.046050|0.059234|0.057899|0.072311|0.078049|0.085597|0.089716|0.099109|0.152696|0.300909|0.500000| |1.482785|1.606911|1.673006|1.785357|1.832334|1.747751|1.640735|1.928431|3.089131|0.064147|2.500326|3.097079|3.262292|4.157045|3.960983|4.744460|7.281811|8.887170|5.557187|6.552442|0.147403|3.586142|5.657579|17.612017|2.310577|2.187724|2.821544|2.667725|2.699136|2.889091|2.147980|2.531781|2.700042|3.200213|3.601459|3.237930|2.723460|9.748995|0.038299|0.040639|0.041930|0.045032|0.050363|0.048477|0.043622|0.052213|0.050784|0.064629|0.067142|0.078613|0.090205|0.113412|0.225360|0.303062|0.302986|0.500000| |2.200235|2.645152|2.925031|3.639272|4.131832|3.450009|2.821287|5.639876|12.262458|0.205468|7.505006|7.128195|5.024364|4.103099|3.218066|2.770732|2.803128|3.298138|4.178759|7.167744|0.131886|7.526230|15.275930|3.046015|17.696664|8.910332|8.150709|6.255610|6.447812|9.051087|5.961024|6.129519|6.150078|4.922498|4.238312|4.198303|4.880250|7.758948|0.057011|0.058126|0.059513|0.074007|0.106533|0.096297|0.070262|0.148415|0.147926|0.147959|0.204100|0.120623|0.083922|0.067323|0.068316|0.083252|0.090884|0.072591|0.500000| |2.290416|2.797621|3.086029|3.951082|4.744361|3.876031|3.047220|7.530132|12.354188|0.184438|6.378105|4.952542|3.812474|3.126909|2.600504|2.267429|2.257494|2.556769|3.085361|4.961529|0.094247|4.774118|9.789917|2.396390|17.608189|8.869083|8.197566|6.239592|6.378375|8.878069|5.688062|4.835092|4.740263|3.736913|3.223352|3.231270|3.813623|6.090518|0.060249|0.060229|0.060650|0.076719|0.114498|0.110301|0.075399|0.214250|0.214503|0.139221|0.190490|0.099140|0.070092|0.056577|0.056180|0.066369|0.070261|0.058804|0.304048|0.500000| |1.758196|2.036685|2.247958|2.683251|2.872751|2.472477|2.118772|3.659585|5.626551|0.106299|3.444292|3.266373|2.773438|2.518067|2.173683|1.991023|2.043222|2.307985|2.615781|4.132215|0.083800|3.496754|7.090055|2.274185|6.081003|6.698343|6.489909|6.303511|8.126822|12.478407|17.612183|8.844283|7.279569|4.759102|3.997106|4.173863|5.573104|7.060044|0.047121|0.046300|0.047554|0.058929|0.080828|0.068949|0.053825|0.099855|0.111700|0.081653|0.098396|0.071439|0.057681|0.050293|0.052198|0.062015|0.069404|0.056777|0.167092|0.182205|0.500000| |1.657988|1.891630|2.113139|2.476152|2.532713|2.179011|1.918898|3.052193|4.641253|0.093383|2.865661|2.820702|2.516755|2.351132|2.083444|1.936397|1.983876|2.200117|2.429693|3.687669|0.074842|2.963990|5.665987|2.170543|4.527423|5.739382|6.304869|7.067515|10.564989|12.753757|17.644541|8.802352|5.841273|4.270521|3.982953|4.596943|6.741092|7.035197|0.044670|0.043395|0.045393|0.056698|0.076257|0.059545|0.048742|0.080556|0.093902|0.069960|0.078831|0.065602|0.055483|0.049411|0.051200|0.058019|0.066752|0.055062|0.124244|0.123339|0.302851|0.500000| |1.631653|1.868853|2.007199|2.335201|2.545570|2.284183|1.973267|3.136749|5.076059|0.094456|3.525853|3.586801|2.963165|2.780473|2.335417|2.172120|2.312870|2.726142|3.080269|5.218636|0.112803|4.353680|9.742335|2.808620|5.092527|4.590263|4.790177|4.467296|5.187838|6.864406|6.986001|8.899125|17.713408|8.962254|5.698909|4.948889|5.640216|9.635571|0.043228|0.043694|0.044280|0.052375|0.067975|0.065136|0.051026|0.088610|0.088077|0.081805|0.105036|0.073116|0.060166|0.053997|0.059057|0.078367|0.087983|0.068499|0.171639|0.145982|0.222956|0.150707|0.500000| |1.484736|1.667620|1.765850|1.992001|2.134294|1.969977|1.749247|2.478147|4.029650|0.077897|3.041342|3.396522|2.935849|2.971836|2.498392|2.415973|2.716071|3.343117|3.573725|6.195399|0.152330|4.463459|9.357207|3.784889|3.557988|3.254234|3.715425|3.512227|3.891662|4.636181|4.078963|5.617577|8.850765|17.750900|8.959146|5.634299|4.947931|16.696275|0.039071|0.040167|0.040742|0.046529|0.057246|0.056053|0.045854|0.069387|0.067402|0.072419|0.088698|0.070618|0.062348|0.059429|0.070300|0.107552|0.126261|0.090509|0.121022|0.095502|0.112891|0.098711|0.214667|0.500000| |1.504759|1.669701|1.829659|2.041224|2.045267|1.830812|1.672861|2.275095|3.700829|0.078401|2.603635|2.983377|2.882641|3.076323|2.773480|2.765260|3.054372|3.462693|3.479182|4.972357|0.105940|3.362934|5.813535|3.613904|3.130802|3.383662|4.215897|4.359311|4.873332|5.114820|4.081500|5.613280|4.951735|5.640881|8.942281|17.746357|8.870372|16.716655|0.039692|0.039958|0.042319|0.049890|0.061092|0.049826|0.043156|0.059792|0.063783|0.064313|0.069211|0.071636|0.069607|0.069315|0.080381|0.088475|0.123300|0.092553|0.098133|0.077812|0.095816|0.108029|0.107501|0.124480|0.500000| 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