Version2.4 2021-06-07T21:19:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(c(c1)N([C@H](C2CCCCC2)C(=O)NC3CCCCC3)C(=O)c4cc(ccc4[O-])[N+](=O)[O-])Cl C36544607 RHF 6-31G(d) (6D,7F) c1ccc(c(c1)N([C@H](C2CCCCC2)C(=O)NC3CCCCC3)C(=O)c4cc(ccc4[O-])[N+](=O)[O-])Cl C01[X(C27H31Cl1N3O5)] 195 C1 606 O=C([C@H](N(c1ccccc1Cl)C(=O)c1cc(ccc1[O-])[N+](=O)[O-])C1CCCCC1)NC1CCCCC1 O=C([C@H](N(c1ccccc1Cl)C(=O)c1cc(ccc1[O-])[N+](=O)[O-])C1CCCCC1)NC1CCCCC1 [O-]c1ccc(cc1C(=O)N([C@H](C2CCCCC2)C(=O)NC3CCCCC3)c4ccccc4Cl)[N+]([O-])=O InChIKey=NHJXAYRWQXCAQA-RUZDIDTESA-M InChI=1S/C27H32ClN3O5/c28-22-13-7-8-14-23(22)30(27(34)21-17-20(31(35)36)15-16-24(21)32)25(18-9-3-1-4-10-18)26(33)29-19-11-5-2-6-12-19/h7-8,13-19,25,32H,1-6,9-12H2,(H,29,33)/p-1/t25-/m1/s1 InChI=1/C27H32ClN3O5/c28-22-13-7-8-14-23(22)30(27(34)21-17-20(31(35)36)15-16-24(21)32)25(18-9-3-1-4-10-18)26(33)29-19-11-5-2-6-12-19/h7-8,13-19,25,32H,1-6,9-12H2,(H,29,33)/p-1/t25-/m1/s1/fC27H31ClN3O5/h32h,29H/q-1 c1ccc(c(c1)N([C@H](C2CCCCC2)C(=O)NC3CCCCC3)C(=O)c4cc(ccc4[O-])[N+](=O)[O-])Cl C01[X(C27H31Cl1N3O5)] 195 C01 606 O=C([C@H](N(c1ccccc1Cl)C(=O)c1cc(ccc1[O-])[N+](=O)[O-])C1CCCCC1)NC1CCCCC1 O=C([C@H](N([C]1[CH][CH][CH][CH][C]1Cl)C(=O)[C]1[CH][C]([CH]=[CH][C]1=O)[N]([O])[O])C1CCCCC1)NC1CCCCC1 [O]N([O])[C]1[CH][C](C(=O)C=C1)C(=O)N([C]2[CH][CH][CH][CH][C]2Cl)[C@H](C3CCCCC3)C(=O)NC4CCCCC4 InChIKey=NCEFJCHUTDWDFB-RUZDIDTESA-N InChI=1S/C27H31ClN3O5/c28-22-13-7-8-14-23(22)30(27(34)21-17-20(31(35)36)15-16-24(21)32)25(18-9-3-1-4-10-18)26(33)29-19-11-5-2-6-12-19/h7-8,13-19,25H,1-6,9-12H2,(H,29,33)/t25-/m1/s1 InChI=1/C27H31ClN3O5/c28-22-13-7-8-14-23(22)30(27(34)21-17-20(31(35)36)15-16-24(21)32)25(18-9-3-1-4-10-18)26(33)29-19-11-5-2-6-12-19/h7-8,13-19,25H,1-6,9-12H2,(H,29,33)/t25-/m1/s1/f/h29H 4305.9971499442 -2037.6080707 1-A 18834.1300 136 470 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.73279 -20.43959 -20.43951 -20.43919 -20.41887 -20.35935 -15.70081 -15.49323 -15.49176 -11.25610 -11.24232 -11.21472 -11.19597 -11.18507 -11.18094 -11.16792 -11.16280 -11.16145 -11.15630 -11.15536 -11.15375 -11.15263 -11.15182 -11.15112 -11.14930 -11.14869 -11.14609 -11.14453 -11.14425 -11.13352 -11.13334 -11.13104 -11.12128 -11.11929 -11.09375 -11.08059 -10.46591 -7.93534 -7.93197 -7.93186 -1.46572 -1.30750 -1.28727 -1.24508 -1.20474 -1.16373 -1.15109 -1.09006 -1.05020 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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|A|A|A|A|A|A|A|A|A| 12.0319 14.4709 18.4471 31.3207 36.2037 41.5738 47.6025 57.6822 59.5792 68.0814 79.6869 89.9361 102.6347 118.4418 121.2665 137.7261 157.9453 169.1117 180.3067 180.9469 188.4504 209.5615 231.0971 245.2411 257.8147 273.5212 277.4246 297.5482 322.8367 344.9159 358.2486 365.9944 371.8895 393.4568 395.3699 419.8244 443.8976 467.2483 471.3442 476.0962 481.1420 491.6005 516.9619 522.9585 526.7383 531.6415 552.3401 567.1879 587.1382 595.2764 607.3858 630.2347 651.7085 689.9926 700.6818 716.5718 746.9027 793.6191 814.3735 829.3526 839.7582 848.8870 853.8408 860.4809 861.7457 866.6064 874.0660 883.0360 893.0361 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3182.2179 3192.3283 3199.2389 3212.4693 3215.8454 3219.1922 3220.5893 3223.5959 3231.6363 3232.9022 3233.5149 3234.8739 3258.8953 3269.6716 3284.2830 3297.7698 3308.5777 3361.6518 3365.1149 3382.2037 3397.9957 3409.6848 3411.6162 3414.7746 3842.9791 4.4170 7.5315 6.9946 3.6237 7.3396 4.3278 3.4128 4.7370 8.4787 5.5218 4.6311 7.7730 6.5434 5.0517 8.9092 5.8785 8.4599 8.0293 3.5408 4.7860 4.2479 5.6014 2.8994 1.8282 2.2144 6.8572 7.0654 4.5452 6.9982 5.3103 1.9316 2.0707 4.6076 12.4364 5.1634 6.0516 3.5612 3.9018 2.9379 3.0612 3.1487 2.2190 3.4950 2.2048 3.2107 4.0071 6.3912 4.5612 2.8150 3.2107 5.0452 1.7566 2.8610 7.6299 3.6979 5.4737 6.9388 6.0586 5.1171 2.8217 2.5621 2.6783 2.2686 1.5383 1.4846 2.6492 2.4856 11.6691 3.9958 3.2071 2.0016 4.2492 3.4128 2.8236 2.7674 1.8858 1.8565 1.6710 1.4510 1.6129 1.5384 2.9925 2.7659 2.6982 1.8624 1.7177 1.4185 1.7568 1.2897 1.8142 1.3695 3.0013 2.0309 2.8645 1.4319 2.5430 1.2385 1.8915 1.3893 3.1765 3.0084 2.1508 2.5011 2.4698 1.6027 1.6984 3.5608 2.2976 2.2972 1.5553 1.3526 1.4456 1.7892 2.7196 1.3900 1.3523 1.5735 1.2603 1.2694 1.7924 1.2324 1.2210 1.8224 1.4520 2.2519 1.5053 1.2819 1.5080 6.4563 1.6089 1.4079 1.4714 1.4363 1.4961 1.5015 1.5329 1.5714 2.3912 1.5889 1.4035 1.5582 1.4716 2.1188 5.5435 1.0898 1.0907 1.0990 1.0958 1.0999 1.1016 1.0968 1.0966 1.1082 1.1137 2.6477 5.3318 1.7177 11.6583 5.9123 6.0787 5.6424 10.2440 12.2520 8.7933 1.0718 1.0633 1.0618 1.0684 1.0641 1.0715 1.0728 1.0679 1.0723 1.0890 1.0918 1.0939 1.0957 1.0987 1.0963 1.0918 1.0943 1.0987 1.0858 1.0868 1.0951 1.0861 1.0935 1.0881 1.0903 1.0938 1.0957 1.0943 1.0940 1.0934 1.0769 0.0004 0.0009 0.0014 0.0021 0.0057 0.0044 0.0046 0.0093 0.0177 0.0151 0.0173 0.0370 0.0406 0.0418 0.0772 0.0657 0.1243 0.1353 0.0678 0.0923 0.0889 0.1449 0.0912 0.0648 0.0867 0.3023 0.3204 0.2371 0.4297 0.3722 0.1461 0.1634 0.3755 1.1343 0.4755 0.6284 0.4134 0.5019 0.3846 0.4088 0.4295 0.3160 0.5503 0.3553 0.5249 0.6673 1.1488 0.8645 0.5718 0.6703 1.0966 0.4111 0.7159 2.1402 1.0697 1.6560 2.2807 2.2482 1.9995 1.1435 1.0645 1.1371 0.9744 0.6711 0.6495 1.1722 1.1189 5.3610 1.8775 1.5414 0.9844 2.1479 1.7382 1.4797 1.4886 1.0388 1.0330 0.9581 0.8384 0.9587 0.9223 1.8214 1.8111 1.8072 1.2882 1.1946 0.9921 1.2849 0.9441 1.3397 1.0182 2.2584 1.5554 2.2058 1.1056 2.0439 1.0025 1.5340 1.1441 2.6775 2.5559 1.8340 2.1558 2.2070 1.4596 1.5559 3.3590 2.2157 2.2360 1.5677 1.3690 1.4892 1.8800 2.8812 1.5616 1.5387 1.7993 1.4599 1.4773 2.0965 1.4431 1.4550 2.1974 1.7950 2.8187 1.8951 1.6396 1.9394 8.5418 2.1368 1.8757 1.9983 1.9611 2.0489 2.0624 2.1170 2.1722 3.3251 2.2172 1.9967 2.2220 2.1811 3.2173 8.5797 1.6988 1.7072 1.7305 1.7268 1.7402 1.7444 1.7415 1.7466 1.7954 1.8082 4.3151 8.7968 2.9608 21.0609 10.8900 11.3728 10.7479 20.1749 26.5143 19.5550 6.3578 6.3185 6.3265 6.3698 6.3464 6.3925 6.4009 6.4121 6.4664 6.6215 6.6527 6.6794 6.6961 6.7269 6.7456 6.7232 6.7412 6.7739 6.7940 6.8455 6.9598 6.9589 7.0527 7.2444 7.2742 7.3720 7.4540 7.4956 7.5024 7.5118 9.3703 1.9412 0.7054 0.6673 0.2371 2.9016 1.7633 0.1420 0.2476 0.0033 1.2034 2.9843 2.3273 0.3456 2.6595 12.1012 4.7207 3.7466 0.9547 0.1840 0.0424 8.3938 0.5372 3.2529 0.2766 3.0730 1.7171 1.2141 4.4421 2.6124 5.5567 0.9233 6.1028 0.8932 9.2096 1.2573 1.6929 9.3935 6.3154 1.1450 3.5392 2.5778 8.3659 17.3682 1.6386 6.8478 18.3320 8.0978 3.7767 11.6467 3.6463 3.1724 138.3226 8.0615 23.7248 34.0003 40.6137 23.5464 10.1013 12.5791 9.0692 62.1681 14.6109 13.3777 3.0760 1.7204 3.3511 5.0723 44.0602 5.8183 1.7560 3.0965 1.5748 41.4320 25.4308 26.1739 6.4258 2.1123 4.4272 2.8571 0.4228 1.8401 11.0005 9.2684 1.7514 11.1603 2.8729 1.5281 0.9952 0.1626 2.0388 1.8504 3.0382 2.9487 14.0076 1.7638 13.1155 0.5640 0.5884 1.6024 11.6067 4.8647 8.1006 92.8937 82.9347 121.5162 66.8324 286.3777 7.4460 0.6025 38.5761 13.9537 1.7527 123.7908 154.6653 1.8910 25.0243 8.9471 1.2965 2.8643 230.3063 3.3230 2.3428 31.9784 41.6914 161.4450 92.2952 45.8305 46.0730 1732.0288 131.4584 5.1754 9.0022 0.2696 10.1379 0.8206 1.5922 0.7723 90.1993 8.2239 4.5076 0.3726 4.2610 22.0108 32.4036 3.4578 1.1537 2.4026 1.3211 4.8457 5.3401 5.2056 5.8009 2.5782 0.9019 98.9179 44.8007 371.0189 491.4410 2.3058 54.0226 11.8275 465.2715 455.1500 276.3698 22.6237 27.7596 29.6608 29.4183 34.8453 19.0044 16.6271 17.4114 16.3079 65.1133 102.7926 110.5888 60.0193 105.4927 0.3495 64.7340 61.2672 92.1257 71.0461 31.9187 25.6551 15.4414 26.1266 8.0334 23.7942 24.8663 16.4559 13.6819 2.4806 1.2667 23.5560 0.4488 1.6327 4.8657 0.7625 1.1919 2.5257 1.6851 3.0456 1.8271 0.6091 0.4199 0.7513 0.8293 0.8208 1.1284 1.0595 1.4654 1.2691 0.2400 3.2655 1.3122 1.5209 0.6602 0.0898 0.3648 1.2790 1.9385 0.3580 7.0024 0.2149 0.4639 0.3128 1.6118 0.7832 0.9308 2.4342 0.7971 4.2408 1.2524 0.8233 1.8514 2.1374 1.1468 0.2119 1.4314 1.6583 3.0473 0.7937 2.1259 1.3918 0.5487 1.6216 1.6552 1.8868 3.0567 2.3909 10.1422 1.7698 5.9241 6.9024 2.5638 5.4719 3.4183 2.9405 1.1669 16.2207 10.5263 0.8853 5.2831 9.6270 3.8554 2.4833 2.9751 5.4957 15.4071 1.8164 1.3229 1.9855 6.0965 5.3479 1.9252 14.3588 4.0101 1.8267 3.7085 3.6023 1.4672 17.2494 0.5828 16.1365 1.2756 6.5305 14.1857 12.2646 6.5366 5.0059 0.7081 1.0665 1.7769 7.9896 3.8032 2.9847 13.1778 7.9693 7.5299 3.4255 42.3229 5.5840 1.9162 1.0633 2.1115 6.1702 11.2550 33.7461 11.2397 7.1009 9.1818 6.4011 9.9565 21.3542 20.1037 26.1768 21.3088 5.0809 6.8040 3.1658 5.1301 2.2353 707.2392 86.6113 3.7773 7.1008 0.4620 1.5622 2.2712 1.8411 4.5658 88.0803 4.0789 8.7953 4.6291 1.5615 0.7378 0.4790 24.8652 17.9535 21.7561 21.6289 5.4158 3.8084 0.1880 0.6569 1.6725 1.3776 1.9150 23.8704 2.4783 5.5892 7.5143 60.5488 23.0922 31.4036 24.0322 1.8485 29.3202 49.3915 34.5658 61.1474 36.1458 70.4771 147.6928 73.0386 54.3032 80.4725 199.1530 189.4213 64.4514 78.6729 73.2161 63.3105 124.5119 95.1372 14.8286 30.1051 64.5908 30.6514 66.1302 69.5429 115.6246 110.6207 130.2379 94.0493 29.3543 68.2809 20.1032 0.7478 0.7491 0.7499 0.7479 0.7018 0.7270 0.6705 0.7473 0.7468 0.7487 0.6266 0.7241 0.6848 0.6604 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12.00000 12.00000 12.00000 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 15.99491 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 15090.9467 21902.3244 29938.5319 0.99954 0.03021 0.00111 -0.03022 0.99947 0.01245 -0.00073 -0.01248 0.99992 1 0.00574 0.00395 0.00289 0.11959 0.08240 0.06028 17.31 20.82 26.54 45.06 52.09 59.82 68.49 82.99 85.72 97.95 114.65 129.40 147.67 170.41 174.48 198.16 227.25 243.31 259.42 260.34 271.14 301.51 332.50 352.85 370.94 393.54 399.15 428.11 464.49 496.26 515.44 526.58 535.07 566.10 568.85 604.03 638.67 672.27 678.16 685.00 692.26 707.30 743.79 752.42 757.86 764.91 794.69 816.06 844.76 856.47 873.89 906.77 937.66 992.75 1008.12 1030.99 1074.63 1141.84 1171.70 1193.25 1208.22 1221.36 1228.49 1238.04 1239.86 1246.85 1257.59 1270.49 1284.88 1299.47 1314.53 1332.67 1337.71 1356.93 1374.75 1391.17 1398.18 1419.36 1424.84 1445.14 1451.34 1462.36 1516.80 1534.05 1558.95 1563.17 1567.60 1603.04 1603.71 1610.77 1616.27 1625.99 1640.37 1644.83 1647.07 1680.44 1686.37 1687.99 1700.97 1720.91 1727.72 1730.90 1740.21 1771.89 1788.76 1794.09 1820.53 1840.74 1849.32 1881.87 1885.73 1902.50 1921.39 1929.31 1986.76 1999.43 2004.38 2017.36 2022.07 2027.20 2028.30 2046.14 2058.29 2084.09 2097.09 2103.11 2119.92 2125.70 2156.01 2160.16 2163.51 2184.41 2190.22 2193.55 2196.77 2202.74 2203.79 2210.35 2214.26 2235.76 2238.41 2281.98 2309.78 2331.90 2340.35 2345.01 2352.12 2353.05 2357.67 2358.71 2361.95 2365.58 2385.85 2388.43 2392.92 2407.65 2460.92 2519.36 2543.91 2563.88 2587.01 2630.50 2757.43 2795.25 4565.14 4569.38 4575.30 4576.74 4577.61 4578.32 4578.50 4593.05 4602.99 4622.03 4626.88 4631.70 4633.71 4638.04 4649.60 4651.43 4652.31 4654.26 4688.82 4704.33 4725.35 4744.76 4760.31 4836.67 4841.65 4866.24 4888.96 4905.78 4908.55 4913.10 5529.19 0.592344 0.623153 0.624097 0.525564 -2037.015727 -2036.984918 -2036.983974 -2037.082507 3.304813D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE c1ccc(c(c1)N([C@H](C2CCCCC2)C(=O)NC3CCCCC3)C(=O)c4cc(ccc4[O-])[N+](=O)[O-])Cl C36544607 RHF 6-31G(d) (6D,10F) C1 512.195224 |X|Y|Z| 100.912191 81.013910 45.688764 72.017418 29 6 7 27 2 |36.858105| |13.756481|36.858105| |7.955716|13.787272|36.858105| |6.892236|7.949068|13.743822|36.858105| |7.880334|6.821003|7.880638|13.693419|36.858105| |13.785341|7.960664|6.904596|7.987978|13.698410|36.858105| |5.137403|4.520377|5.106175|7.731719|13.399172|7.834323|53.358707| |4.134366|3.688668|4.060666|5.517171|7.508013|5.701354|17.663432|36.858105| |3.445893|3.198185|3.597781|4.809460|5.828431|4.461906|12.772225|17.664853|0.500000| |4.097154|3.804215|4.222168|5.450882|6.433155|5.188449|10.130687|12.260178|0.249394|36.858105| |3.084299|2.952888|3.265799|3.971770|4.311860|3.657377|6.827730|7.531183|0.211954|12.362606|36.858105| |2.823844|2.786376|3.061762|3.506887|3.580150|3.162173|5.169471|4.879390|0.133425|7.482918|12.437542|36.858105| |2.932997|2.847829|2.996715|3.287275|3.414749|3.203741|4.705801|4.276981|0.109452|6.386265|7.511197|12.453869|36.858105| |3.760116|3.582704|3.678827|3.988699|4.224754|4.092677|5.479321|4.805932|0.114156|7.526732|6.475671|7.560215|12.453403|36.858105| |4.417795|3.928599|4.015935|4.673578|5.552566|5.339956|7.541254|7.230473|0.152396|12.378662|7.583160|6.459303|7.524167|12.434126|36.858105| |3.741781|3.194124|3.292444|4.084471|5.487817|5.046920|10.586036|12.413408|0.248576|7.414102|5.766774|4.068889|3.852514|4.266268|6.376975|36.858105| |4.145794|3.359054|3.297491|3.924929|5.389618|5.651606|8.982973|7.937338|0.164121|5.993378|4.595083|3.561806|3.599369|4.184227|6.245543|15.830724|73.516695| |2.955423|2.612269|2.711412|3.270316|4.043468|3.723023|7.378161|7.804086|0.214418|5.617671|5.358633|3.820980|3.523024|3.610309|4.832120|14.022747|15.035466|53.358707| |2.603599|2.290210|2.320615|2.695357|3.258623|3.166456|5.504304|5.002209|0.135835|4.031375|3.919181|3.074512|2.957979|3.017269|3.814574|7.786849|12.190751|17.831154|36.858105| |2.186198|1.973902|2.016014|2.305812|2.670532|2.568717|4.367561|3.927509|0.112410|3.423736|3.608032|2.932921|2.791202|2.713425|3.232428|5.155371|8.091507|10.634863|12.446233|36.858105| |1.949813|1.761894|1.775996|1.988424|2.274392|2.240065|3.591024|3.053064|0.085803|2.728223|2.818761|2.406917|2.349035|2.303182|2.664501|3.853658|6.536925|6.817252|7.522699|12.436692|36.858105| |1.914462|1.725687|1.734251|1.938007|2.221247|2.197914|3.506849|2.857830|0.080444|2.483854|2.491244|2.130645|2.070065|2.071237|2.403393|3.561106|6.150964|6.021219|6.424685|7.518448|12.439665|36.858105| |2.177176|1.925879|1.917623|2.153534|2.528094|2.539771|4.022285|3.203873|0.087916|2.690524|2.588509|2.184043|2.136244|2.198171|2.617271|4.167159|7.485577|6.770294|7.524325|6.449232|7.540956|12.441335|36.858105| |2.520950|2.212280|2.229978|2.574301|3.108759|3.050744|5.218499|4.262893|0.117266|3.348252|3.157916|2.553359|2.451315|2.544542|3.146734|5.982019|10.126476|10.448575|12.421838|7.541536|6.447901|7.523696|12.439373|36.858105| |4.165660|3.739474|4.146373|5.688599|7.727216|5.734258|18.720922|7.952005|0.212859|5.043351|3.982587|3.108411|2.818675|3.133857|4.020604|6.394794|9.770738|6.978632|4.026160|3.201236|2.668463|2.702207|3.148135|4.149833|36.858105| |3.367998|3.048606|3.320582|4.290740|5.385603|4.391032|11.648967|7.399676|0.228780|4.653808|3.978733|3.044894|2.724599|2.920307|3.704240|6.768450|9.608687|8.363370|4.746778|3.740005|3.042877|3.116723|3.634974|5.053163|15.815548|73.516695| |4.187744|3.859772|4.248502|5.463184|6.575965|5.334044|10.417830|5.021982|0.134904|3.790403|3.103610|2.578643|2.387071|2.662227|3.240003|4.369586|7.342502|5.041584|3.163810|2.612319|2.274800|2.351966|2.732039|3.384782|12.728744|14.295773|36.858105| |4.540755|3.993553|4.067635|4.773501|5.824049|5.589399|8.038147|4.175503|0.107517|3.314664|2.715917|2.314836|2.210726|2.500884|3.020240|3.935586|7.121318|4.520498|2.973638|2.441433|2.182007|2.283215|2.701797|3.248251|7.659837|10.209485|14.000510|36.858105| |3.869791|3.579117|3.597923|3.921725|4.322953|4.280006|5.699387|3.212317|0.084744|2.697447|2.284035|2.002849|1.923668|2.152089|2.505280|3.052303|5.540930|3.646886|2.467807|2.091818|1.911500|2.014487|2.344520|2.703517|5.035052|7.442107|7.913728|13.576641|36.858105| |3.252375|3.185446|3.348551|3.635841|3.744787|3.514023|5.015926|2.905389|0.079172|2.483448|2.155007|1.907117|1.806329|1.986884|2.265221|2.692076|4.744573|3.301528|2.223859|1.932262|1.766145|1.856658|2.111546|2.414468|4.442146|6.794714|6.814391|7.844882|13.479099|36.858105| |3.107414|3.108996|3.437771|3.900322|3.909091|3.437518|5.443556|3.139952|0.088112|2.657689|2.327743|2.041798|1.894428|2.059951|2.347331|2.811652|4.796005|3.480544|2.295589|2.010204|1.811666|1.890776|2.123205|2.464886|4.992108|7.654919|7.770572|6.833620|7.924898|14.087284|36.858105| |3.405546|3.354672|3.833636|4.740988|4.910562|3.995766|7.395496|4.043539|0.115741|3.257871|2.807673|2.388085|2.174228|2.364947|2.760638|3.465659|5.714057|4.231717|2.691745|2.321578|2.041015|2.110466|2.378177|2.859761|7.558768|10.880571|13.039255|7.722096|6.664949|7.736314|13.101682|36.858105| |3.039689|3.055200|3.586073|4.499337|4.470352|3.540168|7.008358|4.094749|0.124151|3.343013|2.976333|2.520094|2.235156|2.379365|2.742759|3.394991|5.410416|4.262716|2.666143|2.350259|2.042976|2.089310|2.303042|2.774214|6.759280|10.719115|8.078604|5.316821|4.668569|5.327646|8.100460|15.586016|73.516695| |3.685158|3.348688|3.191745|3.306551|3.632645|3.862747|4.675857|2.765531|0.072159|2.390956|2.042305|1.820267|1.780962|1.998383|2.297718|2.717196|5.084235|3.271013|2.274441|1.939454|1.806576|1.912499|2.232133|2.498172|3.876147|5.983059|5.177904|7.840827|13.615350|7.795919|5.177827|4.474572|6.180461|53.358707| |3.990642|3.439379|3.150811|3.243376|3.694526|4.179026|4.720040|2.831591|0.072417|2.454081|2.078169|1.851476|1.837608|2.082820|2.416466|2.866918|5.545517|3.410872|2.403130|2.022813|1.895030|2.006316|2.376522|2.643548|3.788139|5.886697|4.688645|7.047335|8.445550|5.382222|4.089424|3.838215|5.495138|21.385059|73.516695| |3.116766|2.937941|2.818281|2.852985|3.018103|3.162856|3.890470|2.369764|0.062687|2.093431|1.821912|1.646292|1.611274|1.789886|2.017441|2.320634|4.301460|2.848076|1.996790|1.736543|1.633502|1.730434|1.988120|2.182644|3.177948|5.039446|4.089511|5.405525|8.457581|7.023301|4.688368|3.839511|5.496909|21.389643|15.994752|73.516695| |4.231595|4.787456|7.094525|10.957915|6.982105|4.758773|8.477997|5.045775|0.138648|5.024678|4.097532|3.635049|3.168159|3.541170|3.936960|3.635520|5.859512|4.228446|2.538770|2.242714|1.920887|1.867415|2.029068|2.420057|5.220193|7.513125|4.930107|3.971648|3.406090|3.411272|3.948863|4.965341|9.539677|3.850720|4.790519|4.479101|448.794386| |17.725163|8.899406|5.650094|4.962679|5.626886|8.940749|5.684503|3.541958|0.083242|3.513672|2.745033|2.547964|2.701758|3.423759|3.929630|3.389322|6.882099|3.721734|2.481599|2.092212|1.897009|1.869201|2.132055|2.419805|3.554801|5.303452|3.597795|4.036943|3.569300|2.976084|2.780840|2.967875|4.714381|4.882483|7.182217|5.455746|27.423539|0.500000| |8.896935|17.714109|8.945239|5.654418|4.924782|5.650701|4.901936|3.064111|0.075438|3.194156|2.583860|2.499516|2.585814|3.192837|3.352784|2.725865|5.107663|3.114034|2.043437|1.786814|1.614758|1.583601|1.754551|1.981225|3.101085|4.634465|3.238289|3.394266|3.182474|2.884852|2.782052|2.907420|4.746222|4.189258|5.616478|4.943139|31.763241|0.213790|0.500000| |5.647958|8.902109|17.747001|8.952723|5.633489|4.970854|5.649972|3.463788|0.088399|3.660671|2.985069|2.881859|2.794458|3.319033|3.454778|2.840249|4.993187|3.283190|2.084575|1.845189|1.635720|1.596874|1.745116|2.006146|3.536355|5.203859|3.668833|3.479461|3.208054|3.110137|3.235494|3.512434|5.999769|3.905295|4.951346|4.633853|54.753360|0.124000|0.214856|0.500000| |8.899242|5.649480|4.971470|5.688557|9.004171|17.753796|9.933477|5.767695|0.123575|4.959382|3.579285|3.042127|3.119643|3.918878|5.302361|5.813431|12.972043|5.646742|3.601094|2.823535|2.468424|2.433123|2.881314|3.493929|5.708981|8.138446|5.098434|5.563105|4.178916|3.347534|3.228836|3.735064|5.874262|5.275866|7.793505|5.576538|31.576731|0.214569|0.123977|0.107881|0.500000| |4.379791|4.313245|5.128292|6.940831|7.214956|5.358913|10.001648|8.956797|0.207081|17.575140|8.978366|6.959028|5.793067|6.994296|8.914605|5.539753|8.484896|5.989770|3.339865|2.899184|2.378911|2.207212|2.385288|2.909510|4.947712|7.727439|3.895719|3.362376|2.769145|2.587345|2.799275|3.435844|6.329675|3.309608|4.374015|3.803459|52.966167|0.100942|0.099072|0.123688|0.131693|0.500000| |2.863541|2.791120|3.160376|3.905357|4.117083|3.383005|6.742470|7.053036|0.236706|8.804719|17.533712|8.860923|5.493827|4.858288|5.508745|5.187759|7.221812|6.914882|3.723038|3.498892|2.733565|2.453213|2.528241|3.095851|4.129967|7.512044|3.207396|2.731082|2.306937|2.215274|2.441145|2.986380|5.814549|2.770695|3.630666|3.241831|35.015416|0.070507|0.068043|0.081541|0.091067|0.215865|0.500000| |2.844006|2.662924|2.858961|3.401878|3.808688|3.375522|6.144148|6.840096|0.192813|8.802736|17.506016|8.838043|6.736612|5.668880|6.837910|6.275237|8.732380|8.746608|4.641227|4.378327|3.286236|2.804714|2.872124|3.516664|3.748803|6.933007|2.918713|2.595382|2.186248|2.048531|2.191278|2.618082|4.882217|2.687370|3.601726|3.132388|27.418661|0.071860|0.065386|0.072486|0.095299|0.174791|0.303138|0.500000| |2.885463|2.942528|3.330643|3.791496|3.668408|3.171376|5.121091|4.540906|0.125226|6.755952|8.866273|17.496624|8.863496|6.787737|5.646900|3.635389|5.731931|4.563636|2.726451|2.580622|2.155125|1.947042|2.008217|2.338163|3.076759|5.244206|2.604610|2.323536|2.026384|1.949636|2.101817|2.453127|4.640007|2.494446|3.284839|2.958621|32.889554|0.071416|0.073455|0.088879|0.082377|0.205855|0.216767|0.173823|0.500000| |2.434798|2.407598|2.626431|2.964808|3.015431|2.697375|4.406166|4.067868|0.115934|5.467485|8.827371|17.515732|8.808987|5.497741|4.848993|3.557282|5.546874|4.790964|2.912573|2.890791|2.386580|2.092775|2.101830|2.421485|2.764508|4.926606|2.323486|2.091475|1.831290|1.758690|1.885841|2.185782|4.132777|2.274831|3.012721|2.707792|25.203496|0.061877|0.060858|0.069668|0.072943|0.141762|0.213142|0.215044|0.303355|0.500000| |2.669020|2.648072|2.777244|2.952936|2.977064|2.824241|4.016604|3.478950|0.090791|4.807865|5.478725|8.812588|17.512820|8.797227|5.478926|3.161304|5.341813|3.996851|2.538977|2.434426|2.097558|1.863215|1.909473|2.152163|2.464558|4.228095|2.141175|1.998418|1.767144|1.672554|1.749861|1.979950|3.621788|2.242446|3.012226|2.674205|23.147213|0.069018|0.068197|0.073547|0.075765|0.129581|0.123408|0.138516|0.215418|0.211004|0.500000| |2.716428|2.579804|2.662648|2.919615|3.118482|2.990228|4.402588|4.063216|0.104454|5.596086|6.743612|8.855444|17.488363|8.862593|6.787796|3.925931|6.577917|5.051479|3.187059|3.062108|2.572305|2.216665|2.263611|2.574779|2.695282|4.726813|2.274581|2.124345|1.849216|1.728154|1.802242|2.060481|3.748235|2.346139|3.182137|2.772870|22.425129|0.070763|0.065405|0.068656|0.083308|0.132922|0.138942|0.197278|0.173885|0.215046|0.303046|0.500000| |4.008742|4.028524|4.251399|4.481217|4.436730|4.201521|5.456131|4.492625|0.108478|6.820880|5.690842|6.795369|8.850616|17.493217|8.836347|3.790791|6.579072|4.364085|2.687790|2.422326|2.077568|1.900722|2.021890|2.334114|3.110135|5.042419|2.701283|2.528019|2.194213|2.043100|2.126119|2.431268|4.358327|2.761708|3.724834|3.243407|31.853706|0.099065|0.099785|0.107965|0.106416|0.208251|0.127549|0.131417|0.199542|0.139253|0.214376|0.173796|0.500000| |3.636472|3.413824|3.350340|3.484360|3.710007|3.808743|4.734074|3.988676|0.095459|5.487343|4.848012|5.500067|8.819860|17.519044|8.836364|3.778653|6.916501|4.413591|2.825473|2.552289|2.218012|1.996542|2.120193|2.404755|2.791835|4.643170|2.427448|2.335030|2.034132|1.867303|1.909290|2.154291|3.807807|2.615482|3.596504|3.073200|24.382620|0.095532|0.086679|0.084370|0.103454|0.142329|0.106855|0.126719|0.139368|0.123244|0.211225|0.215124|0.303397|0.500000| |3.827631|3.339083|3.337752|3.819998|4.599594|4.606040|6.629283|6.562425|0.143074|8.811737|6.887166|5.731716|6.841631|8.875884|17.543232|7.054501|12.775656|7.505948|4.443116|3.724297|3.034467|2.669441|2.901898|3.483694|3.761307|6.423365|3.021925|2.854805|2.376629|2.139071|2.201226|2.569405|4.525775|2.999866|4.160554|3.445486|26.587704|0.098514|0.080937|0.080988|0.136360|0.174231|0.140581|0.203726|0.131919|0.128366|0.139948|0.202004|0.173846|0.214655|0.500000| |5.743070|4.773383|4.622665|5.253190|6.603683|7.103249|8.028725|6.638079|0.136728|8.766906|5.500892|4.830527|5.497275|8.842243|17.630634|6.035474|11.716175|5.975647|3.593490|2.976364|2.515792|2.323949|2.585751|3.091629|4.195923|6.597640|3.471462|3.332633|2.741330|2.428406|2.473867|2.883812|4.959563|3.449675|4.805289|3.914140|32.238104|0.139925|0.110110|0.106015|0.194305|0.211354|0.123060|0.140339|0.125802|0.106614|0.123203|0.140164|0.213443|0.214568|0.305278|0.500000| |2.774396|2.510858|2.663715|3.251401|3.907207|3.456120|7.321430|7.564319|0.250492|5.329959|5.377030|3.782199|3.328797|3.330404|4.277064|9.593458|11.061827|25.998062|9.140397|7.083276|4.622467|4.205565|4.543521|6.808640|5.389152|12.454095|3.831058|3.308332|2.684442|2.481657|2.674316|3.309675|6.104301|3.223191|4.306315|3.687973|25.947821|0.070616|0.061195|0.066573|0.103384|0.120651|0.153848|0.172914|0.093708|0.098478|0.078055|0.095464|0.084206|0.082110|0.128099|0.107726|0.500000| |2.703616|2.341265|2.326237|2.657385|3.231314|3.263262|5.233499|4.678766|0.119995|3.978220|3.768666|3.044681|3.053395|3.175535|4.041334|7.395810|13.707029|12.694277|17.600170|8.898488|6.823389|5.687652|6.834242|8.896781|3.682943|7.270183|2.968731|2.870448|2.396019|2.134143|2.169398|2.505436|4.352929|3.060773|4.295149|3.507728|19.570397|0.072698|0.058233|0.057764|0.105412|0.091135|0.095901|0.123652|0.074617|0.079367|0.072706|0.092873|0.077311|0.084478|0.136578|0.107137|0.181193|0.500000| |2.170306|1.971998|2.017428|2.297106|2.632378|2.528747|4.237464|3.916938|0.111323|3.611465|3.978990|3.265522|3.127013|2.951871|3.462469|4.979666|7.797489|9.740621|8.853332|17.538552|8.791729|5.478548|4.838391|5.500240|2.998363|6.046225|2.450729|2.285613|1.966599|1.824225|1.901462|2.192427|3.972141|2.486863|3.385748|2.919414|17.992623|0.057641|0.049700|0.051459|0.076392|0.083822|0.104674|0.140680|0.077885|0.090695|0.075182|0.098020|0.071952|0.077040|0.113303|0.086146|0.177682|0.215779|0.500000| |2.094102|1.916024|1.983713|2.284845|2.611450|2.456459|4.327749|3.857765|0.116039|3.314620|3.568716|2.881568|2.656834|2.555369|3.006997|4.738456|7.157128|9.723639|8.857766|17.475736|8.850975|6.773608|5.665472|6.799367|3.255594|6.966262|2.653550|2.432663|2.092845|1.960970|2.067758|2.403650|4.398542|2.611616|3.509498|3.066962|18.287888|0.055204|0.048174|0.050773|0.073743|0.079287|0.100173|0.117951|0.071246|0.079827|0.064821|0.079458|0.064395|0.065964|0.093055|0.076823|0.211962|0.174308|0.302909|0.500000| |1.972459|1.769948|1.763852|1.955359|2.241780|2.249859|3.473038|2.939412|0.080472|2.683920|2.737744|2.376548|2.380261|2.352490|2.710704|3.746294|6.637630|6.278694|6.778755|8.856228|17.491416|8.856063|6.790339|5.660446|2.532875|5.003605|2.177554|2.119521|1.861577|1.706903|1.734265|1.939609|3.421336|2.421543|3.351498|2.859807|14.938277|0.053837|0.045219|0.045025|0.069427|0.064875|0.072228|0.088586|0.058919|0.065090|0.059149|0.073232|0.058459|0.063908|0.087194|0.071506|0.113548|0.200985|0.214527|0.173768|0.500000| |1.774277|1.623150|1.643713|1.829186|2.056781|2.012960|3.212677|2.717829|0.077437|2.485932|2.628977|2.290257|2.223700|2.141521|2.418156|3.277412|5.508396|5.648304|5.487306|8.823314|17.521265|8.801792|5.488661|4.835773|2.383731|4.797994|2.057401|1.965115|1.742662|1.629289|1.678475|1.878913|3.374675|2.243559|3.050950|2.673638|14.378016|0.047931|0.041571|0.042413|0.060714|0.060919|0.071529|0.084777|0.057082|0.064168|0.055777|0.067736|0.053928|0.057336|0.075595|0.063030|0.110762|0.139946|0.211471|0.214888|0.303392|0.500000| |1.765898|1.597329|1.595424|1.760688|1.997315|1.996598|3.087740|2.475488|0.069184|2.196900|2.201081|1.922766|1.887702|1.889589|2.156621|3.008593|5.311746|4.855984|4.823246|5.482719|8.814589|17.517332|8.798700|5.480765|2.367853|4.749761|2.108252|2.073195|1.858923|1.718064|1.736050|1.908288|3.346275|2.433407|3.341715|2.901724|13.594236|0.048304|0.041042|0.041002|0.061151|0.054843|0.060052|0.068114|0.049086|0.052652|0.047697|0.056142|0.048367|0.051106|0.066199|0.058316|0.094343|0.127232|0.123002|0.139171|0.214973|0.211513|0.500000| |1.841845|1.677371|1.703001|1.911971|2.171014|2.113335|3.456380|2.799275|0.080756|2.414641|2.447849|2.087613|1.993215|1.979924|2.283700|3.375176|5.659005|5.751399|5.644305|6.770267|8.854011|17.492588|8.853237|6.779789|2.714727|5.674178|2.370201|2.268613|2.011360|1.878043|1.932309|2.161436|3.844595|2.573766|3.480090|3.055092|15.038978|0.049587|0.042749|0.043780|0.064146|0.060157|0.068291|0.075877|0.053349|0.057307|0.049998|0.058730|0.050922|0.052556|0.069308|0.061125|0.117833|0.131577|0.139048|0.199335|0.173814|0.214574|0.303145|0.500000| |2.222497|1.945690|1.909926|2.120274|2.497292|2.572039|3.880565|3.080380|0.082298|2.646539|2.516588|2.152552|2.150739|2.236139|2.658939|4.048119|7.698549|6.240830|6.780632|5.664631|6.788943|8.853993|17.490184|8.845530|2.956092|5.849579|2.592580|2.616597|2.279760|2.031480|2.017592|2.238681|3.820847|3.004811|4.248322|3.494276|15.765173|0.061270|0.049427|0.048135|0.082159|0.065056|0.067060|0.077551|0.054853|0.057263|0.053484|0.063730|0.056783|0.060761|0.082964|0.073703|0.111960|0.201386|0.126838|0.131209|0.199939|0.139318|0.214585|0.173777|0.500000| |2.089217|1.856145|1.845996|2.060759|2.399182|2.414557|3.776067|2.903238|0.080103|2.437443|2.327890|1.985301|1.936072|2.002065|2.358419|3.614767|6.521943|5.602017|5.488058|4.836227|5.491169|8.810737|17.535461|8.829043|3.032306|6.195872|2.717316|2.724646|2.402955|2.167346|2.161553|2.385670|4.070990|3.137194|4.350217|3.667600|15.625390|0.057012|0.047175|0.046834|0.075586|0.061146|0.063835|0.070303|0.051366|0.053077|0.048500|0.056333|0.051816|0.053716|0.071172|0.065489|0.108362|0.140153|0.106577|0.126778|0.139405|0.123095|0.211242|0.214676|0.303568|0.500000| |2.399675|2.144169|2.198212|2.560591|3.041593|2.892916|5.204275|4.194874|0.121799|3.246016|3.118221|2.507895|2.349308|2.408693|2.937101|5.397405|8.536623|9.591847|8.862288|6.802042|5.666393|6.770234|8.829737|17.504820|4.344214|10.049323|3.534549|3.285097|2.747803|2.504709|2.606040|3.058187|5.362920|3.389630|4.578979|3.890299|19.873071|0.063268|0.053342|0.055355|0.089513|0.079637|0.087670|0.095121|0.064411|0.066590|0.057593|0.067741|0.062187|0.062527|0.087975|0.079554|0.202477|0.174471|0.139788|0.200693|0.131187|0.126816|0.139003|0.199349|0.173470|0.214250|0.500000| |2.836208|2.437087|2.429660|2.813075|3.493393|3.501572|5.869350|4.543125|0.119830|3.468923|3.120109|2.528088|2.450422|2.615915|3.293138|6.478126|11.895520|9.523322|8.862251|5.508260|4.840312|5.483422|8.795419|17.590556|4.756449|10.000959|3.891292|3.842862|3.113613|2.698644|2.710568|3.150048|5.274088|3.919043|5.510059|4.381216|20.635697|0.075755|0.060157|0.059966|0.114928|0.084440|0.084287|0.093943|0.065030|0.065515|0.059744|0.070561|0.067158|0.068863|0.099833|0.092673|0.168696|0.216141|0.123744|0.139907|0.126793|0.106616|0.122949|0.139268|0.214194|0.211513|0.303839|0.500000| |5.048985|4.115120|3.973013|4.575846|5.996846|6.489891|8.153148|4.347370|0.107478|3.442411|2.774728|2.359555|2.296618|2.636519|3.248056|4.339224|8.322103|4.836931|3.228626|2.584591|2.318244|2.424617|2.933645|3.537786|7.043426|9.744451|8.985560|17.762750|8.944383|5.618828|4.935981|5.531333|7.575076|9.875142|14.184644|8.838265|29.191621|0.128152|0.096732|0.092627|0.197757|0.094602|0.075808|0.074612|0.064952|0.058942|0.057329|0.061824|0.073027|0.069113|0.086423|0.101846|0.095133|0.088449|0.067075|0.070184|0.063268|0.057343|0.061126|0.065816|0.080343|0.081637|0.096036|0.120420|0.500000| |2.889976|2.868182|2.969920|3.113257|3.146428|3.021956|4.167283|2.499435|0.068254|2.187438|1.925772|1.729616|1.648464|1.803518|2.023731|2.344045|4.159127|2.911903|1.989767|1.752436|1.621062|1.707191|1.924898|2.156792|3.553571|5.613176|4.925037|5.614877|8.881349|17.755746|9.020345|5.542602|7.596118|9.772474|8.774817|14.031074|23.690326|0.075002|0.074101|0.078290|0.080342|0.063255|0.054859|0.051044|0.049174|0.044597|0.042750|0.043903|0.051578|0.047458|0.053324|0.060085|0.060615|0.053341|0.046094|0.049352|0.043654|0.041792|0.044287|0.047972|0.051676|0.055165|0.061934|0.066274|0.124127|0.500000| 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