Version2.4 2021-05-26T17:34:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCCOc1ccc(cc1)[C@@H]2c3c([nH]nc3C(=O)N2CC=C)c4cc(ccc4[O-])Cl C39898667 RHF 6-31G(d) (6D,7F) CCCCCOc1ccc(cc1)[C@@H]2c3c([nH]nc3C(=O)N2CC=C)c4cc(ccc4[O-])Cl C01[X(C25H25Cl1N3O3)] 165 C1 534 C=CCN1C(=O)c2c([C@H]1c1ccc(cc1)OCCCCC)c([nH]n2)c1cc(Cl)ccc1[O-] C=CCN1C(=O)c2c([C@H]1c1ccc(cc1)OCCCCC)c([nH]n2)c1cc(Cl)ccc1[O-] CCCCCOc1ccc(cc1)[C@H]2N(CC=C)C(=O)c3n[nH]c(c4cc(Cl)ccc4[O-])c23 InChIKey=DJDIIHIATUGWCG-XMMPIXPASA-M InChI=1S/C25H26ClN3O3/c1-3-5-6-14-32-18-10-7-16(8-11-18)24-21-22(19-15-17(26)9-12-20(19)30)27-28-23(21)25(31)29(24)13-4-2/h4,7-12,15,24,30H,2-3,5-6,13-14H2,1H3,(H,27,28)/p-1/t24-/m1/s1 InChI=1/C25H26ClN3O3/c1-3-5-6-14-32-18-10-7-16(8-11-18)24-21-22(19-15-17(26)9-12-20(19)30)27-28-23(21)25(31)29(24)13-4-2/h4,7-12,15,24,30H,2-3,5-6,13-14H2,1H3,(H,27,28)/p-1/t24-/m1/s1/fC25H25ClN3O3/h30h,27H/q-1 CCCCCOc1ccc(cc1)[C@@H]2c3c([nH]nc3C(=O)N2CC=C)c4cc(ccc4[O-])Cl C01[X(C25H25Cl1N3O3)] 165 C01 534 C=CCN1C(=O)c2c([C@H]1c1ccc(cc1)OCCCCC)c([nH]n2)c1cc(Cl)ccc1[O-] C=CCN1C(=O)[C]2[C]([C]([NH][N]2)[C]2[CH][C]([CH][CH][C]2[O])Cl)[C@H]1[C]1[CH][CH][C]([CH][CH]1)OCCCCC CCCCCO[C]1[CH][CH][C]([CH][CH]1)[C@@H]2[C]3[C](N[N][C]3C(=O)N2CC=C)[C]4[CH][C](Cl)[CH][CH][C]4[O] InChIKey=AOVFEJFORHCXJA-XMMPIXPASA-N InChI=1S/C25H25ClN3O3/c1-3-5-6-14-32-18-10-7-16(8-11-18)24-21-22(19-15-17(26)9-12-20(19)30)27-28-23(21)25(31)29(24)13-4-2/h4,7-12,15,24H,2-3,5-6,13-14H2,1H3,(H,27,28)/t24-/m1/s1 InChI=1/C25H25ClN3O3/c1-3-5-6-14-32-18-10-7-16(8-11-18)24-21-22(19-15-17(26)9-12-20(19)30)27-28-23(21)25(31)29(24)13-4-2/h4,7-12,15,24H,2-3,5-6,13-14H2,1H3,(H,27,28)/t24-/m1/s1/f/h27H 3189.6003195614 -1808.6789602 1-A 21206.4770 119 415 534 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1587.6469 1590.0025 1594.1117 1596.6389 1628.7388 1634.0743 1635.1412 1638.2644 1644.1968 1647.5029 1657.1337 1678.1140 1681.8669 1693.1391 1697.2480 1711.7427 1777.9496 1781.8682 1820.2156 1822.4015 1875.6265 1961.5599 3175.6470 3187.0882 3190.0222 3196.0175 3197.7679 3210.8521 3217.9412 3222.2979 3240.2456 3254.0637 3256.2465 3261.0952 3291.2013 3299.2117 3319.6392 3340.9134 3348.2910 3352.4760 3369.5680 3370.5471 3378.9366 3394.4524 3398.4172 3404.0446 3925.3789 5.5806 3.9494 6.0804 4.3190 3.6271 3.6224 2.9534 3.9298 3.2623 4.7781 7.0512 4.5620 2.6382 2.7546 4.7818 3.9490 3.8608 4.5075 3.3680 6.0982 5.2702 4.0832 4.4888 1.1581 6.3483 6.5944 6.5444 6.3877 5.7187 5.6248 3.9705 8.1717 4.8163 3.6300 4.5187 4.6284 3.0784 3.4371 3.7766 4.2012 2.4531 2.3520 3.0280 1.7802 3.9910 5.7014 8.5554 8.0184 7.0272 3.2891 2.5106 4.5830 4.3144 1.0700 6.8407 3.3065 3.5966 1.1196 7.7834 5.7880 2.3483 3.0434 2.3635 2.3802 3.6039 1.2004 2.0650 2.0324 1.9593 2.0976 1.3736 2.3180 1.7238 1.3040 1.2931 1.2016 4.7403 3.3310 2.4128 1.4291 2.2764 2.3580 1.2036 5.4099 2.3662 3.7390 2.0360 2.2012 2.1803 2.7245 2.3469 2.9399 2.7048 2.8751 1.1806 1.6956 2.7202 2.3357 2.5282 1.3626 1.7784 1.3157 4.7144 3.0863 1.2274 1.3562 1.5137 1.0649 1.5794 1.0960 1.3701 1.5598 2.1862 1.3845 2.6931 1.4088 1.3647 2.5087 2.8518 2.0296 1.5193 1.3800 1.8953 1.8048 1.0656 1.0852 1.0422 1.0863 1.0982 1.2839 5.3784 4.3639 2.4096 5.6089 6.0637 6.0026 6.2724 5.8204 4.2618 12.2419 1.0586 1.0563 1.0589 1.0412 1.1021 1.0627 1.1033 1.1064 1.0622 1.1058 1.1024 1.1052 1.1029 1.0867 1.0605 1.0951 1.0878 1.0914 1.0889 1.0960 1.0910 1.0936 1.1159 1.0955 1.0815 0.0003 0.0011 0.0021 0.0024 0.0033 0.0042 0.0053 0.0087 0.0091 0.0183 0.0287 0.0243 0.0160 0.0317 0.0592 0.0575 0.0599 0.0730 0.0602 0.1412 0.1421 0.1287 0.1796 0.0475 0.3057 0.3691 0.3917 0.4102 0.3952 0.4723 0.3509 0.7675 0.4699 0.3636 0.4741 0.5755 0.3936 0.4867 0.5948 0.7324 0.4760 0.4591 0.6180 0.3828 0.8756 1.4430 2.2657 2.2570 2.0038 1.0601 0.8380 1.5772 1.5318 0.3921 2.5984 1.3117 1.4547 0.4629 3.4182 2.6654 1.1405 1.5156 1.1865 1.2135 1.8866 0.6310 1.1372 1.1234 1.1383 1.2545 0.8578 1.5323 1.1574 0.8826 0.8820 0.8217 3.3434 2.3536 1.7578 1.0602 1.7391 1.8133 0.9330 4.3843 1.9477 3.1222 1.7290 1.8937 1.9643 2.4866 2.1707 2.7993 2.5948 2.8495 1.1847 1.7081 2.8083 2.4509 2.6839 1.4812 1.9948 1.5071 5.4926 3.6865 1.4691 1.6361 1.8636 1.3148 1.9656 1.3763 1.7873 2.0671 2.9466 1.8693 3.7696 2.0034 1.9725 3.6860 4.2352 3.0231 2.2748 2.0728 2.9623 2.8394 1.6786 1.7160 1.6600 1.7372 1.7769 2.1303 8.9637 7.3707 4.0896 9.6828 11.2934 11.2289 12.2441 11.3890 8.8336 27.7524 6.2899 6.3215 6.3486 6.2659 6.6400 6.4552 6.7312 6.7688 6.5706 6.8988 6.8868 6.9252 7.0387 6.9688 6.8855 7.2015 7.1850 7.2268 7.2846 7.3362 7.3393 7.4241 7.5930 7.4792 9.8186 0.2547 0.1091 0.2523 0.1221 0.0082 0.4110 1.0763 0.0551 1.4910 1.1955 1.8032 2.9026 0.4178 2.7652 14.7863 1.6376 1.0596 1.5959 3.8963 3.0620 1.0075 0.2867 1.6436 0.0715 3.9015 1.6161 1.9847 2.6903 5.5628 1.1691 3.4049 1.5826 6.1147 1.3596 3.2806 2.6578 1.2648 1.9691 3.0429 0.3750 21.6998 13.3376 20.4537 36.7232 0.6811 14.6870 22.2469 34.7582 0.9612 48.3711 21.5640 0.1979 16.6386 1.6449 48.8886 19.0472 5.6860 0.0225 18.0503 11.4966 19.2883 9.6308 21.7470 47.6210 18.4480 0.5898 50.2323 7.3743 7.0940 18.4468 9.4808 43.2666 29.8562 2.1528 0.2295 0.4260 35.2144 1.7152 1.4721 11.3049 0.6778 2.9211 13.4435 166.2988 31.0499 60.2344 9.2887 71.9409 51.5222 11.4326 87.1785 20.7025 2.8767 14.2969 47.4332 1.5902 23.7080 33.3325 78.8297 1.1890 167.8303 18.3728 498.9978 33.6978 2.6358 5.2283 19.9303 2.6108 53.1046 0.1683 1.1124 13.0616 8.2205 5.3969 99.8404 14.0715 3.5013 123.8803 9.0605 19.1753 39.6360 8.5251 12.5805 45.0027 0.4274 1.4636 4.4124 0.2377 2.5543 97.7197 101.6633 159.4947 117.9656 496.3276 58.5146 66.5109 179.3170 132.1205 3.6942 675.6067 5.3667 13.6664 69.5795 39.7955 2.1814 43.8673 33.3667 1.1199 32.9012 2.5261 69.1838 192.1883 8.7242 4.0225 21.6254 8.1180 15.7442 16.8811 15.9251 46.8046 11.7276 24.5380 34.3101 7.6790 82.3199 2.2360 1.6685 3.1406 2.9416 2.4972 2.8659 1.4257 3.7480 3.4469 0.7847 2.3253 1.5662 5.4168 0.4835 2.9904 1.6818 1.2491 0.8465 1.6814 1.5460 2.2993 1.0599 2.3934 0.1227 1.2138 1.1388 1.5382 0.7574 4.6385 2.8590 1.4812 6.2254 3.9128 5.8623 0.2850 3.9805 0.2600 0.5462 1.6674 0.7068 3.0477 6.0731 1.9239 3.1433 2.8871 1.9523 3.3911 4.4230 6.4462 0.3593 5.6347 3.1955 1.6929 0.0397 4.2839 0.4854 2.1328 0.1709 3.4591 10.5769 12.2120 20.1661 5.4223 7.7316 19.0441 0.9022 1.9047 14.6720 7.8245 2.3389 5.6151 2.7905 1.7622 1.1560 1.1933 0.9946 3.5707 1.4802 0.7065 2.1006 14.1559 7.9167 4.0906 18.2577 5.4253 6.8094 1.1056 6.8464 4.7740 15.4512 8.5169 5.4440 1.1779 1.9887 3.8285 1.7381 6.7414 8.7277 26.3362 0.0098 10.8273 0.2705 11.1717 87.9330 12.1801 24.8226 7.5029 32.9079 7.9947 6.0199 0.3875 7.9089 18.3182 4.1012 15.9094 1.3094 1.5273 62.1038 2.2154 4.9460 4.4303 10.9958 29.2182 34.0907 34.3944 6.9457 20.1737 12.7081 0.3723 10.3283 9.3971 253.6068 43.2612 14.0201 12.9461 27.4485 113.0348 73.7562 31.8357 30.4480 15.7582 76.8877 11.3512 181.2655 110.5272 77.3247 21.6204 58.5489 69.6090 37.6293 102.6011 6.4371 59.4466 39.1240 61.6426 96.5009 77.7597 31.7601 28.2868 172.4541 79.8014 86.3270 87.0356 89.6373 76.3393 0.7390 0.7137 0.7286 0.7443 0.7417 0.7199 0.7492 0.6890 0.7497 0.7432 0.6811 0.7338 0.7279 0.5117 0.7053 0.7174 0.5834 0.6808 0.5686 0.5781 0.2261 0.5512 0.0308 0.1669 0.7124 0.2273 0.7368 0.7417 0.2510 0.5545 0.5095 0.4825 0.7041 0.5501 0.7172 0.5138 0.5106 0.1233 0.5327 0.2620 0.3328 0.6228 0.6196 0.2816 0.1579 0.2637 0.1851 0.2207 0.7210 0.2496 0.3232 0.5710 0.6276 0.7294 0.7128 0.7365 0.5518 0.6970 0.2461 0.0503 0.0863 0.2569 0.7402 0.3117 0.1159 0.2526 0.3420 0.2549 0.2814 0.7380 0.2925 0.6495 0.7242 0.6966 0.6557 0.7290 0.3765 0.4506 0.3781 0.6675 0.6046 0.5999 0.6909 0.4257 0.4677 0.1134 0.1968 0.4170 0.1267 0.1538 0.7394 0.5136 0.4342 0.6687 0.3670 0.7471 0.1575 0.3084 0.7351 0.6350 0.5684 0.3851 0.6301 0.2375 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0.8172 0.5972 0.6373 0.2038 0.3289 0.5885 0.2249 0.2666 0.8501 0.6786 0.6055 0.8015 0.5369 0.8553 0.2721 0.4714 0.8473 0.7767 0.7248 0.5560 0.7731 0.3839 0.6923 0.2784 0.8571 0.8537 0.6014 0.8571 0.8566 0.7592 0.6021 0.8221 0.8545 0.8351 0.8449 0.8064 0.1537 0.7971 0.8237 0.5833 0.4217 0.4009 0.8280 0.7348 0.8569 0.8150 0.5994 0.4483 0.8542 0.4615 0.4113 0.8468 0.5184 0.7978 0.7900 0.3629 0.2913 0.2887 0.4205 0.2595 0.5505 0.0262 0.8496 0.1932 0.8480 0.8562 0.1045 0.8507 0.7630 0.8566 0.7506 0.1620 0.3282 0.3746 0.8451 0.6341 0.7695 0.3111 0.6431 0.2875 0.6922 0.2590 0.5424 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 57 6 6 6 6 6 8 6 6 6 6 6 6 6 1 6 6 7 1 7 6 6 8 7 6 6 6 6 6 6 6 6 6 8 17 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 34.96885 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 14950.1441 25708.9507 35199.6861 0.99955 0.02803 0.01103 -0.02812 0.99957 0.00779 -0.01081 -0.00810 0.99991 1 0.00579 0.00337 0.00246 0.12072 0.07020 0.05127 13.57 31.66 34.92 43.82 56.16 64.19 79.21 88.40 98.77 115.99 119.55 136.91 145.77 201.05 208.51 226.25 233.51 238.53 250.60 285.18 307.75 332.82 374.93 379.49 411.35 443.48 458.57 474.99 492.75 543.15 557.25 574.44 585.50 593.27 607.14 660.95 670.20 705.33 743.87 782.61 825.69 828.18 846.79 869.24 877.97 943.00 964.60 994.47 1000.94 1064.13 1082.90 1099.62 1116.89 1134.61 1155.23 1180.60 1192.10 1205.31 1242.17 1271.98 1306.28 1322.77 1328.08 1338.36 1356.20 1359.05 1391.02 1393.61 1428.69 1449.57 1481.27 1523.97 1535.90 1542.09 1548.03 1550.03 1574.21 1575.61 1599.88 1614.43 1638.32 1643.74 1650.32 1687.42 1700.62 1712.87 1727.32 1738.59 1779.16 1790.71 1802.69 1829.04 1835.93 1866.07 1877.68 1881.32 1904.52 1920.12 1931.28 1954.31 1985.17 2006.11 2023.24 2048.60 2050.67 2058.79 2079.80 2082.86 2091.06 2100.46 2140.90 2157.78 2176.12 2178.01 2217.63 2235.25 2253.55 2272.05 2284.27 2287.66 2293.57 2297.21 2343.39 2351.07 2352.60 2357.10 2365.63 2370.39 2384.25 2414.43 2419.83 2436.05 2441.96 2462.82 2558.07 2563.71 2618.88 2622.03 2698.61 2822.25 4569.05 4585.51 4589.73 4598.36 4600.87 4619.70 4629.90 4636.17 4661.99 4681.87 4685.01 4691.99 4735.30 4746.83 4776.22 4806.83 4817.44 4823.47 4848.06 4849.47 4861.54 4883.86 4889.56 4897.66 5647.74 0.491486 0.519721 0.520665 0.427353 -1808.187474 -1808.159239 -1808.158295 -1808.251607 3.129700D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE CCCCCOc1ccc(cc1)[C@@H]2c3c([nH]nc3C(=O)N2CC=C)c4cc(ccc4[O-])Cl C39898667 RHF 6-31G(d) (6D,10F) C1 450.158445 |X|Y|Z| 81.144234 113.857204 40.724825 72.192564 20 6 7 17 3 |36.858105| |12.465217|36.858105| |7.469738|12.452889|36.858105| |4.862707|7.466645|12.456996|36.858105| |3.744850|4.877599|7.509767|12.538675|36.858105| |3.051407|3.880975|5.101595|8.081403|13.625775|73.516695| |2.556170|3.078485|3.882191|5.219107|7.985510|24.933937|36.858105| |2.223222|2.642086|3.143188|4.081271|5.253327|14.523048|13.706380|36.858105| |1.938645|2.237841|2.612777|3.194895|3.980784|9.385681|7.925779|13.808643|36.858105| |1.881127|2.131155|2.512921|2.964161|3.770644|8.149492|6.803278|7.893711|13.664824|36.858105| |2.073221|2.345726|2.852372|3.335628|4.504342|9.223296|7.947234|6.922700|8.005350|13.777269|36.858105| |2.437573|2.829872|3.597742|4.397218|6.705207|13.954641|13.760797|7.952285|6.880593|7.863007|13.699234|36.858105| |1.640414|1.822860|2.099561|2.396955|2.906158|5.962292|4.404283|5.004913|7.530764|12.488747|7.487138|4.973076|36.858105| |1.561635|1.737550|1.974379|2.261280|2.678527|5.560452|3.987078|4.780348|7.271762|8.927095|5.638208|4.199186|17.637912|0.500000| |1.560039|1.716752|1.961891|2.202861|2.625688|5.238762|3.704323|4.068543|5.478622|7.453307|5.750360|4.164000|12.696647|0.247930|36.858105| |1.514655|1.663269|1.881436|2.103770|2.458447|4.876909|3.333476|3.675745|4.657367|5.465717|4.511745|3.593648|6.965349|0.168277|13.881606|36.858105| |1.429771|1.549241|1.743428|1.909307|2.207740|4.248369|2.822541|2.983854|3.577476|4.214557|3.799703|3.103597|5.228733|0.127159|8.886099|13.994350|53.358707| |1.369716|1.476605|1.647556|1.790644|2.040603|3.892456|2.529730|2.661583|3.098001|3.505205|3.223929|2.735961|4.134318|0.104479|6.128331|9.070955|26.119211|0.500000| |1.410568|1.518546|1.715073|1.860521|2.163225|4.105171|2.730060|2.819588|3.365750|4.145360|3.878211|3.096371|5.346436|0.125955|8.442502|8.347415|19.392527|0.263150|53.358707| |1.485108|1.611607|1.836711|2.016588|2.385066|4.594791|3.148519|3.281093|4.089852|5.437603|4.895591|3.648743|8.023578|0.171470|13.711340|8.681102|12.644466|0.177113|19.925557|36.858105| |1.492616|1.615261|1.847227|2.018854|2.400021|4.585921|3.143195|3.211646|3.957496|5.410404|5.098521|3.732234|7.890628|0.170386|8.113718|5.399905|7.348441|0.119006|10.040853|12.867202|36.858105| |1.425142|1.525923|1.735155|1.866251|2.191224|4.099373|2.730983|2.734630|3.225522|4.156372|4.137428|3.224261|5.347984|0.126506|5.413032|4.132674|5.929892|0.101874|8.101992|7.812993|15.852365|73.516695| |1.582317|1.734181|1.996367|2.225584|2.684747|5.278642|3.748694|3.930728|5.127544|7.647878|6.523487|4.453398|12.876996|0.250804|8.350000|5.216957|6.279744|0.103479|7.323884|8.481272|13.916424|14.807674|53.358707| |1.575200|1.723048|1.976788|2.194859|2.625097|5.124095|3.551247|3.670437|4.529729|6.014955|5.525781|4.136504|7.448655|0.187697|5.179182|3.774173|4.660966|0.080873|5.283272|5.234718|7.761509|11.941508|17.958828|36.858105| |1.437423|1.568624|1.766436|1.958260|2.273850|4.467879|2.997684|3.219516|3.943179|4.659284|4.051157|3.271668|5.871538|0.177277|4.379537|3.381206|4.183653|0.074170|4.622002|4.327291|5.705119|9.309233|10.544839|12.633136|36.858105| |1.435028|1.573165|1.757974|1.961519|2.247378|4.462710|2.942850|3.218545|3.843126|4.188860|3.628825|3.083999|4.790673|0.152056|3.630193|2.943790|3.598876|0.065035|3.835029|3.441620|4.156895|6.846933|7.337903|7.605636|14.450097|36.858105| |1.520607|1.680986|1.882479|2.124984|2.438079|4.909630|3.281186|3.742673|4.583526|4.728652|3.900644|3.333582|5.255358|0.139732|7.275048|12.999632|10.482793|0.192233|7.092366|5.216546|3.868858|5.604076|5.368724|3.105283|2.880281|2.625776|36.858105| |1.503838|1.652099|1.835604|2.046203|2.308253|4.544210|2.929010|3.216596|3.657199|3.719314|3.303643|2.962109|3.898833|0.102710|5.054602|7.698717|8.785093|0.188821|6.085968|4.159573|3.196274|4.829715|4.307562|2.583954|2.396901|2.208636|13.680810|36.858105| |1.476510|1.624813|1.779973|1.985889|2.188186|4.314261|2.698522|2.986884|3.266657|3.159660|2.832144|2.639039|3.205164|0.087146|3.821385|5.088059|6.034512|0.130378|4.615346|3.226194|2.626984|4.063512|3.604710|2.244884|2.121093|1.998759|7.900935|13.873208|36.858105| |1.466114|1.625990|1.768686|1.997888|2.179893|4.385767|2.728951|3.132290|3.423842|3.151865|2.750181|2.586699|3.167465|0.089376|3.579118|4.479960|5.096912|0.105652|4.071870|2.959560|2.485739|3.845310|3.509380|2.226537|2.144176|2.058716|6.834072|7.956847|13.636633|36.858105| |1.482504|1.654706|1.811328|2.072247|2.288383|4.712250|3.004922|3.609414|4.137400|3.685672|3.058799|2.818829|3.757889|0.110079|4.135823|5.044720|5.349966|0.105875|4.317257|3.261402|2.753249|4.186817|3.998136|2.524733|2.459380|2.375037|7.862046|6.895022|7.954146|13.956007|36.858105| |1.510842|1.684684|1.872255|2.144790|2.433660|5.037212|3.355363|4.077070|5.118581|4.751979|3.716875|3.245574|5.153451|0.151940|5.961081|7.614137|7.006579|0.130348|5.475055|4.280472|3.471280|5.087374|5.107065|3.081025|2.964194|2.791795|13.222227|7.716600|6.674504|7.725425|13.230649|36.858105| |1.502408|1.679165|1.869776|2.154000|2.458428|5.157545|3.497443|4.406184|5.973245|5.409630|3.955228|3.371535|6.204951|0.207267|6.329390|6.698347|6.310720|0.113454|5.319300|4.425220|3.762503|5.442692|5.838870|3.551822|3.513948|3.343639|8.050927|5.267492|4.648588|5.299061|8.107638|15.313256|73.516695| |1.425502|1.550509|1.677330|1.834517|1.980265|3.796069|2.299783|2.453880|2.580776|2.524509|2.363095|2.261510|2.526390|0.068130|2.936462|3.665113|4.761058|0.106376|3.845010|2.631555|2.204206|3.507082|2.975096|1.895146|1.790588|1.694591|4.718121|6.976054|10.786942|6.938187|4.741257|4.123351|5.775535|448.794386| |17.541132|8.768075|5.451752|4.037643|3.171055|4.787296|2.285480|2.030645|1.784236|1.722790|1.872829|2.167434|1.516927|0.040378|1.446823|1.411022|1.815890|0.035639|1.787732|1.377723|1.382078|2.350182|1.989933|1.457105|1.341958|1.344844|1.423440|1.411699|1.395385|1.391239|1.403458|1.420412|2.510040|10.872311|0.500000| |17.534195|8.774356|6.768663|4.494882|3.631124|5.235685|2.506392|2.174352|1.910885|1.870240|2.072117|2.425871|1.636574|0.043043|1.572233|1.534840|1.983014|0.038888|1.954622|1.502713|1.501851|2.551245|2.149880|1.559119|1.416656|1.403737|1.539977|1.534804|1.505282|1.482220|1.487807|1.516237|2.661426|11.760182|0.301619|0.500000| |17.532154|8.773247|6.767942|4.494393|3.630586|5.235915|2.501585|2.166153|1.903252|1.864382|2.068080|2.423856|1.630884|0.043078|1.542688|1.486025|1.915250|0.037347|1.904334|1.477962|1.499430|2.559842|2.163866|1.596600|1.454392|1.452720|1.478574|1.453590|1.417888|1.406407|1.429462|1.467463|2.609962|10.939556|0.301594|0.301709|0.500000| |8.860736|17.514700|8.861846|6.871557|4.549902|6.740878|3.012837|2.634775|2.226883|2.097910|2.279133|2.726388|1.798589|0.047772|1.708133|1.672936|2.115967|0.041337|2.055503|1.594053|1.580683|2.642719|2.304294|1.666359|1.524220|1.527669|1.710879|1.695343|1.684000|1.689369|1.706601|1.718346|3.020778|12.987327|0.212653|0.210681|0.172937|0.500000| |8.860012|17.511692|8.860334|6.870428|4.548939|6.741622|3.004623|2.620408|2.214961|2.089729|2.273805|2.723554|1.791111|0.047820|1.670718|1.610736|2.034799|0.039512|1.997674|1.564814|1.577875|2.652184|2.321405|1.711991|1.571148|1.590922|1.628429|1.588486|1.565040|1.580374|1.620768|1.648828|2.946739|11.913642|0.212645|0.172940|0.210635|0.304023|0.500000| |6.880683|8.865810|17.491424|8.842581|6.890035|8.390223|3.743459|3.013631|2.546368|2.491974|2.865188|3.597873|2.092391|0.054539|1.938481|1.836719|2.328746|0.044754|2.317669|1.832950|1.870409|3.148570|2.754109|2.031457|1.807154|1.799259|1.813056|1.754114|1.686563|1.672958|1.724006|1.799760|3.223687|12.707506|0.140519|0.169266|0.204142|0.173830|0.211893|0.500000| |6.880689|8.866566|17.495227|8.845046|6.892762|8.388735|3.759313|3.035571|2.564531|2.505835|2.875749|3.604212|2.104307|0.054468|1.997626|1.930656|2.452814|0.047461|2.409387|1.880428|1.875030|3.132635|2.725556|1.956306|1.736655|1.709138|1.929100|1.901480|1.838468|1.804076|1.828540|1.891388|3.321454|14.037390|0.140523|0.204156|0.169250|0.211951|0.173823|0.303741|0.500000| |4.518785|6.824931|8.821998|17.538094|8.947027|13.162644|4.939472|4.069779|3.172826|2.884619|3.161250|4.050939|2.347925|0.061871|2.189449|2.127842|2.617267|0.050400|2.515933|1.986323|1.956142|3.197330|2.919208|2.085028|1.877009|1.878406|2.190919|2.134245|2.100726|2.122896|2.181203|2.220225|3.913578|15.669267|0.108220|0.119257|0.110942|0.205903|0.170422|0.173230|0.210977|0.500000| |4.518747|6.824901|8.822334|17.532813|8.943053|13.171346|4.904171|4.017686|3.138786|2.863643|3.147357|4.042185|2.331470|0.061978|2.112246|2.003931|2.467991|0.047191|2.411978|1.930593|1.950930|3.214343|2.954484|2.176892|1.967099|2.000271|2.025079|1.931686|1.881993|1.917511|2.009771|2.075852|3.756314|13.878802|0.108218|0.110950|0.119246|0.170430|0.205880|0.210949|0.173256|0.303447|0.500000| |3.645436|4.527025|6.846516|8.844083|17.514040|16.535122|7.032457|4.743721|3.780349|3.722595|4.585387|6.773724|2.899977|0.073964|2.579333|2.368104|2.923655|0.054909|2.917994|2.383892|2.459292|4.037450|3.760294|2.768757|2.371553|2.344582|2.299098|2.156979|2.025288|2.012243|2.125193|2.287591|4.164246|14.710397|0.085429|0.097145|0.102594|0.111933|0.120437|0.206238|0.170493|0.174217|0.213013|0.500000| |3.642130|4.523163|6.834796|8.838459|17.524248|16.548266|7.149865|4.837096|3.844539|3.772303|4.631960|6.821164|2.933775|0.073825|2.726361|2.583618|3.184743|0.060221|3.110251|2.492981|2.470575|4.004463|3.689378|2.586504|2.218231|2.154366|2.554572|2.454638|2.309556|2.257018|2.334291|2.488572|4.386325|16.922908|0.085372|0.102509|0.097033|0.120401|0.111842|0.170116|0.205881|0.213147|0.174134|0.301284|0.500000| |2.230041|2.682592|3.107296|4.105492|4.869580|13.449948|8.961767|17.726536|8.899535|5.617752|4.978642|5.666944|4.079786|0.113222|3.457260|3.242140|3.631133|0.067360|3.398871|2.835812|2.759265|4.253056|4.477598|3.129604|2.860797|2.930076|3.430762|3.017160|2.906538|3.140783|3.618043|3.868217|7.368237|19.354845|0.057128|0.060089|0.059811|0.075374|0.074834|0.081417|0.082116|0.117615|0.115598|0.119206|0.121591|0.500000| |1.781040|2.041308|2.327283|2.803481|3.328001|7.589762|5.642471|8.938642|17.738782|8.935479|5.684527|4.958500|7.044494|0.221552|5.353163|4.732022|4.850905|0.086503|4.467918|3.926255|3.723160|5.420480|6.432231|4.193121|3.918636|3.907057|4.897415|3.786349|3.442397|3.763232|4.834480|6.100325|14.142036|21.294066|0.046001|0.048711|0.048460|0.056847|0.056453|0.062811|0.063356|0.078458|0.077434|0.087752|0.089342|0.214195|0.500000| |1.980113|2.195557|2.652243|2.982197|3.910578|7.450593|5.664607|4.977932|5.670598|8.942071|17.718126|8.959347|6.936407|0.141940|5.768856|4.427700|5.377564|0.092443|5.806828|5.476699|6.061256|8.822491|9.882208|5.962856|4.125712|3.544058|3.648647|3.143106|2.661672|2.534617|2.770284|3.355530|6.267221|18.148390|0.049713|0.055359|0.055288|0.058938|0.058852|0.075006|0.075180|0.078104|0.077911|0.113611|0.114255|0.107964|0.124626|0.500000| |2.646537|3.040044|3.999929|4.671292|7.414322|12.451957|8.866625|5.637225|4.958860|5.632542|8.942546|17.749554|4.075574|0.096811|3.582481|3.156172|3.859413|0.070434|3.913158|3.303253|3.421328|5.444373|5.298693|3.701186|2.942930|2.767623|2.918648|2.671123|2.396962|2.321211|2.474903|2.794479|5.083022|16.951729|0.064379|0.073734|0.073847|0.079885|0.080028|0.113948|0.113526|0.115186|0.115633|0.228043|0.224627|0.124189|0.107669|0.217992|0.500000| |1.705220|1.883089|2.183093|2.455876|2.987967|5.906975|4.175131|4.254194|5.152529|6.780896|6.475691|4.903765|6.922404|0.174841|4.668613|3.517293|4.255620|0.074682|4.650559|4.445820|5.847464|9.072491|12.517877|17.577864|8.918059|7.247701|2.998472|2.516631|2.214238|2.214591|2.513070|3.023718|6.187076|15.044740|0.043611|0.046612|0.048123|0.050296|0.052194|0.062662|0.059450|0.064054|0.068132|0.088857|0.080313|0.098737|0.126635|0.182830|0.119463|0.500000| |1.544504|1.671103|1.915191|2.087893|2.481693|4.704368|3.174184|3.163782|3.714984|4.787042|4.814605|3.760542|5.588936|0.138747|4.430048|3.366544|4.349266|0.076497|5.082189|4.845653|7.550217|13.913130|12.701202|17.603920|8.940264|5.995219|2.773235|2.370721|2.065816|2.025322|2.251242|2.693771|5.351273|14.270210|0.039660|0.042589|0.043741|0.044674|0.045998|0.055137|0.052894|0.054789|0.057298|0.073579|0.068464|0.075956|0.095221|0.154037|0.097775|0.301753|0.500000| |1.341397|1.453755|1.625239|1.784977|2.050191|3.986911|2.636516|2.823600|3.425064|4.004427|3.515624|2.869070|5.239373|0.158119|4.294221|3.378190|4.300770|0.076630|4.841954|4.450013|5.852439|9.991231|9.354878|8.668186|17.664888|9.164023|2.846055|2.378206|2.097548|2.107691|2.402755|2.893725|6.029725|14.264666|0.034909|0.036867|0.037640|0.039387|0.040326|0.046032|0.044648|0.047850|0.049569|0.058954|0.056123|0.070624|0.096283|0.101229|0.072667|0.172180|0.207221|0.500000| |1.533210|1.693679|1.900694|2.142323|2.464873|4.949056|3.266635|3.577174|4.177701|4.410026|3.865062|3.368891|4.621560|0.143413|3.438937|2.817387|3.406545|0.061768|3.577925|3.189687|3.769137|6.157663|6.744857|6.897538|9.089741|17.684537|2.559052|2.167110|1.977125|2.047168|2.359923|2.742013|5.807168|13.491132|0.039822|0.041418|0.043191|0.045496|0.047859|0.054230|0.050858|0.056555|0.061313|0.071991|0.064589|0.090422|0.115619|0.101970|0.083330|0.217252|0.152195|0.173543|0.500000| |1.339327|1.462125|1.615221|1.791864|2.017681|3.985742|2.572370|2.825729|3.309162|3.485894|3.039968|2.648186|3.977767|0.127920|3.195435|2.681620|3.314197|0.060745|3.499438|3.048595|3.554880|5.973115|5.869378|5.461575|9.092313|17.705097|2.435347|2.068230|1.893382|1.964402|2.262506|2.615217|5.548772|12.961522|0.035067|0.036368|0.037615|0.039572|0.041181|0.045785|0.043601|0.047962|0.050920|0.058066|0.053783|0.073226|0.095907|0.082499|0.066720|0.142933|0.129461|0.218324|0.289035|0.500000| |1.496504|1.630014|1.815160|1.995167|2.254422|4.340626|2.777591|2.944496|3.290606|3.468348|3.212682|2.883543|3.639578|0.093326|4.804212|7.106648|9.641121|0.226284|6.586771|4.242592|3.217944|4.928331|4.192294|2.508856|2.296827|2.094907|8.894622|17.695679|9.008870|5.660968|4.962347|5.535993|7.526993|53.738128|0.038950|0.042699|0.040245|0.046349|0.043279|0.048321|0.052717|0.057527|0.051940|0.058844|0.067476|0.075963|0.091787|0.087318|0.073722|0.067492|0.065058|0.063642|0.056963|0.054374|0.500000| 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