Version2.0 2019-11-14T14:34:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)O[C@@H](C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccccc4C(F)(F)F C39665962 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)O[C@@H](C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccccc4C(F)(F)F C01[X(C27H33F3N3O3)] 201 C1 606 C[C@H](Oc1ccc(cc1)C)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccccc1C(F)(F)F C[C@H](Oc1ccc(cc1)C)CNC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)c1ccccc1C(F)(F)F C[C@@H](CNC(=O)[C@H]1CN(CC12CC[NH2]CC2)C(=O)c3ccccc3C(F)(F)F)Oc4ccc(C)cc4 InChIKey=ZFYPBTVUGLXZLH-WMZHIEFXSA-N InChI=1S/C27H33F3N3O3/c1-18-7-9-20(10-8-18)36-19(2)15-32-24(34)23-16-33(17-26(23)11-13-31-14-12-26)25(35)21-5-3-4-6-22(21)27(28,29)30/h3-10,19,23H,11-17,31H2,1-2H3,(H,32,34)/t19-,23+/m0/s1 InChI=1/C27H33F3N3O3/c1-18-7-9-20(10-8-18)36-19(2)15-32-24(34)23-16-33(17-26(23)11-13-31-14-12-26)25(35)21-5-3-4-6-22(21)27(28,29)30/h3-10,19,23H,11-17,31H2,1-2H3,(H,32,34)/t19-,23+/m0/s1/f/h32H Cc1ccc(cc1)O[C@@H](C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccccc4C(F)(F)F C01[X(C27H33F3N3O3)] 201 C01 606 C[C@H](Oc1ccc(cc1)C)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccccc1C(F)(F)F C[C@H](Oc1ccc(cc1)C)CNC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)c1ccccc1C(F)(F)F C[C@@H](CNC(=O)[C@H]1CN(CC12CC[NH2]CC2)C(=O)c3ccccc3C(F)(F)F)Oc4ccc(C)cc4 InChIKey=ZFYPBTVUGLXZLH-WMZHIEFXSA-N InChI=1S/C27H33F3N3O3/c1-18-7-9-20(10-8-18)36-19(2)15-32-24(34)23-16-33(17-26(23)11-13-31-14-12-26)25(35)21-5-3-4-6-22(21)27(28,29)30/h3-10,19,23H,11-17,31H2,1-2H3,(H,32,34)/t19-,23+/m0/s1 InChI=1/C27H33F3N3O3/c1-18-7-9-20(10-8-18)36-19(2)15-32-24(34)23-16-33(17-26(23)11-13-31-14-12-26)25(35)21-5-3-4-6-22(21)27(28,29)30/h3-10,19,23H,11-17,31H2,1-2H3,(H,32,34)/t19-,23+/m0/s1/f/h32H 4228.9769614235 -1727.7712721 1-A 19626.6601 133 473 606 |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| -26.42201 -26.41472 -26.40627 -20.68950 -20.62358 -20.62313 -15.83942 -15.68834 -15.68385 -11.58361 -11.44866 -11.44862 -11.43390 -11.43232 -11.41198 -11.39427 -11.37739 -11.36770 -11.36596 -11.36346 -11.35897 -11.35748 -11.35213 -11.35179 -11.35093 -11.34936 -11.34869 -11.34698 -11.34582 -11.34275 -11.33050 -11.33011 -11.32651 -11.32362 -11.32268 -11.30896 -1.81361 -1.71214 -1.70650 -1.51943 -1.49520 -1.49256 -1.47802 -1.36808 -1.33848 -1.27248 -1.26351 -1.24186 -1.19626 -1.17925 -1.15270 -1.14709 -1.13752 -1.13319 -1.12808 -1.09077 -1.05073 -1.04506 -1.03748 -1.02916 -1.02328 -0.98612 -0.96466 -0.95331 -0.94288 -0.93633 -0.92879 -0.90364 -0.89931 -0.89840 -0.89430 -0.88879 -0.87861 -0.85208 -0.84253 -0.83230 -0.81377 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0.8338 1.6118 2.2964 0.3771 2.0169 0.7003 1.3001 0.7781 1.1130 3.2343 2.5121 5.6794 1.1371 1.2209 0.5284 4.8699 13.7218 1.0869 4.7925 7.6507 5.2689 1.8482 1.9590 16.0594 9.9205 2.9943 0.8619 2.9365 0.3059 2.7747 3.8045 1.2787 2.5035 1.9108 1.8261 9.1035 2.6621 1.3517 3.2547 9.7280 3.3236 0.5452 0.3851 0.3907 0.8457 4.4843 5.0333 22.9414 6.4461 0.2008 1.9128 2.6493 0.8265 1.4269 0.5969 3.4232 8.7057 6.7872 2.1166 2.5099 2.5532 4.2956 9.7301 4.1643 1.5623 2.9344 2.0768 2.2456 0.7592 8.5928 2.8194 6.5161 4.2679 3.6585 7.9360 10.2781 1.7420 9.5010 1.9822 6.1752 1.6955 4.0406 14.7097 3.0241 4.6281 9.5695 2.6386 1.0530 1.8988 7.2570 0.8301 5.2326 2.5584 3.2107 2.7943 17.8664 1.7696 4.9841 5.6895 0.4833 1.1695 9.5550 3.2269 18.2021 9.8240 18.9194 18.6963 8.3117 8.2540 6.3355 9.5142 9.2928 3.1521 0.9822 1.7611 5.5288 10.3303 33.6683 37.8043 4.0990 15.4019 4.0801 170.0243 85.0660 57.2123 57.9795 32.9737 142.4501 30.6334 108.1169 19.4556 97.9495 72.5955 90.6164 59.2536 84.1637 44.4020 64.7001 50.7991 45.4570 36.7288 28.3278 58.9498 42.7719 54.0633 74.9164 48.3634 70.6992 56.2285 99.4350 154.6038 149.1972 104.3677 55.7968 22.4786 0.7434 0.7413 0.7475 0.7284 0.7458 0.7412 0.7491 0.7227 0.7500 0.7317 0.6711 0.7382 0.7172 0.7500 0.5404 0.7499 0.6318 0.6331 0.5252 0.6385 0.4114 0.4577 0.6880 0.6394 0.4259 0.3626 0.7315 0.5556 0.0830 0.7444 0.4711 0.3548 0.4028 0.3018 0.7399 0.1658 0.3314 0.2894 0.7448 0.4897 0.3623 0.7107 0.7499 0.2434 0.6525 0.4629 0.7161 0.5275 0.2168 0.1895 0.1496 0.6247 0.4918 0.2652 0.6318 0.2154 0.7290 0.7301 0.5190 0.1837 0.3895 0.1463 0.0507 0.2049 0.1863 0.0678 0.1077 0.3858 0.7237 0.0758 0.1046 0.1831 0.7439 0.0487 0.7187 0.5077 0.6861 0.7481 0.5707 0.7134 0.7464 0.6582 0.4749 0.4718 0.6483 0.4463 0.6141 0.7223 0.6848 0.6899 0.1393 0.2420 0.5106 0.1465 0.7496 0.3429 0.3783 0.2248 0.4186 0.7496 0.6387 0.7057 0.5646 0.4438 0.7380 0.7489 0.2605 0.3928 0.0585 0.6177 0.3613 0.6054 0.6933 0.7462 0.5155 0.1050 0.6808 0.3617 0.1539 0.5422 0.6766 0.1053 0.4629 0.6057 0.1757 0.7355 0.6591 0.5966 0.7487 0.3846 0.3350 0.3264 0.7151 0.7453 0.6688 0.7500 0.3562 0.6540 0.6872 0.7075 0.7484 0.4682 0.6111 0.7499 0.4773 0.7397 0.6863 0.6919 0.5403 0.7375 0.6399 0.7488 0.7314 0.7107 0.7432 0.6720 0.7438 0.6741 0.4361 0.4080 0.6848 0.7334 0.4448 0.6692 0.5466 0.5714 0.1802 0.1733 0.0454 0.0123 0.2943 0.1692 0.7369 0.1036 0.1521 0.7089 0.6313 0.1222 0.0530 0.1117 0.7441 0.7162 0.6692 0.2656 0.7231 0.7253 0.5307 0.6398 0.5344 0.3915 0.4553 0.4607 0.7312 0.7476 0.1808 0.1943 0.1933 0.1646 0.1861 0.6255 0.1702 0.8528 0.8514 0.8555 0.8428 0.8544 0.8514 0.8565 0.8390 0.8571 0.8450 0.8032 0.8494 0.8353 0.8571 0.7016 0.8571 0.7743 0.7753 0.6887 0.7794 0.5830 0.6279 0.8152 0.7800 0.5973 0.5322 0.8450 0.7143 0.1533 0.8535 0.6405 0.5237 0.5743 0.4637 0.8505 0.2844 0.4978 0.4489 0.8538 0.6574 0.5319 0.8309 0.8571 0.3915 0.7897 0.6328 0.8346 0.6907 0.3563 0.3186 0.2603 0.7690 0.6593 0.4192 0.7743 0.3544 0.8432 0.8440 0.6834 0.3103 0.5606 0.2552 0.0966 0.3401 0.3140 0.1269 0.1944 0.5568 0.8397 0.1410 0.1893 0.3095 0.8531 0.0930 0.8363 0.6735 0.8138 0.8559 0.7267 0.8327 0.8548 0.7939 0.6440 0.6411 0.7866 0.6172 0.7609 0.8387 0.8129 0.8165 0.2445 0.3897 0.6760 0.2556 0.8569 0.5106 0.5489 0.3670 0.5902 0.8569 0.7795 0.8275 0.7217 0.6148 0.8492 0.8564 0.4133 0.5640 0.1106 0.7637 0.5308 0.7542 0.8189 0.8546 0.6803 0.1900 0.8101 0.5312 0.2667 0.7031 0.8071 0.1906 0.6329 0.7545 0.2989 0.8476 0.7945 0.7473 0.8563 0.5555 0.5018 0.4921 0.8339 0.8541 0.8015 0.8571 0.5253 0.7908 0.8146 0.8287 0.8561 0.6378 0.7586 0.8571 0.6461 0.8503 0.8140 0.8179 0.7015 0.8489 0.7804 0.8564 0.8449 0.8309 0.8527 0.8038 0.8531 0.8054 0.6074 0.5795 0.8129 0.8462 0.6157 0.8018 0.7068 0.7272 0.3053 0.2954 0.0868 0.0244 0.4548 0.2894 0.8485 0.1878 0.2640 0.8296 0.7739 0.2178 0.1006 0.2009 0.8533 0.8346 0.8018 0.4197 0.8393 0.8408 0.6934 0.7803 0.6965 0.5627 0.6257 0.6308 0.8447 0.8556 0.3062 0.3253 0.3240 0.2827 0.3138 0.7696 0.2909 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 58 59 60 61 62 63 64 65 66 67 68 69 6 6 6 6 6 6 6 8 6 1 6 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 6 6 6 6 6 6 9 9 9 1 1 1 1 1 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 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 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 8939.6167 30277.9503 32261.3153 0.99988 -0.01200 0.01005 0.01148 0.99868 0.05000 -0.01064 -0.04988 0.99870 1 0.00969 0.00286 0.00268 0.20188 0.05961 0.05594 17.57 33.65 39.52 42.96 54.37 63.01 67.29 87.41 91.87 96.89 104.63 109.84 135.19 168.39 182.65 189.06 226.12 228.91 256.83 269.43 294.16 318.65 330.60 361.15 375.99 396.28 412.60 438.02 456.85 474.85 489.72 515.84 522.68 558.02 567.44 576.46 608.97 632.41 642.79 660.32 664.64 671.57 678.19 692.22 722.19 734.27 767.03 785.45 815.12 818.97 851.05 881.59 908.78 941.03 949.74 981.65 1003.82 1008.20 1029.14 1084.22 1109.36 1154.86 1164.51 1192.58 1208.01 1233.22 1240.34 1250.91 1255.12 1271.10 1275.85 1280.01 1343.57 1358.04 1366.43 1379.26 1384.42 1426.18 1450.17 1461.57 1486.39 1496.49 1506.16 1514.03 1541.55 1561.79 1569.76 1570.92 1586.96 1597.43 1599.60 1602.63 1621.65 1631.86 1637.44 1644.45 1654.01 1676.39 1686.05 1714.61 1719.22 1726.21 1736.39 1751.37 1774.35 1784.57 1798.84 1820.86 1838.25 1840.58 1859.77 1870.49 1888.52 1896.46 1907.37 1909.05 1915.49 1934.93 1939.26 1989.51 1991.50 2009.70 2024.78 2033.87 2052.18 2086.91 2091.48 2093.47 2095.14 2106.43 2118.57 2120.43 2144.34 2186.86 2198.40 2209.67 2228.98 2234.86 2240.23 2253.97 2256.23 2260.67 2261.87 2263.84 2270.27 2285.57 2326.78 2346.25 2346.87 2349.01 2353.82 2355.71 2358.37 2361.93 2362.93 2378.94 2387.70 2400.17 2414.92 2428.55 2476.88 2538.47 2564.57 2602.95 2610.53 2620.00 2787.80 2808.66 4620.18 4629.78 4632.97 4641.53 4656.11 4670.62 4677.83 4705.15 4711.00 4711.75 4714.11 4719.35 4724.87 4731.38 4741.16 4741.25 4778.97 4799.62 4802.30 4809.58 4821.48 4823.15 4837.28 4840.28 4859.94 4876.47 4877.87 4881.60 4893.62 4917.43 5231.68 5362.54 5582.13 0.622314 0.653724 0.654668 0.556008 -1727.148958 -1727.117548 -1727.116604 -1727.215264 3.309073D-04 MUNgauss RevisionA1.9 retrievium 14-Nov-2019 DUDE Cc1ccc(cc1)O[C@@H](C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccccc4C(F)(F)F C39665962 RHF 6-31G(d) (6D,10F) C1 504.247365 |X|Y|Z| 56.476124 45.053072 120.030289 67.343143 28 6 7 8 24 3 1 |36.858105| |12.600345|36.858105| |7.525580|13.718809|36.858105| |4.987580|7.840967|13.686424|36.858105| |4.400962|6.761176|7.911074|13.712487|36.858105| |4.998237|7.855057|6.907431|7.952757|13.688875|36.858105| |7.523929|13.657767|8.012269|6.893787|7.911854|13.768182|36.858105| |3.354927|4.571838|5.191389|7.878636|14.078714|8.133465|5.268256|73.516695| |2.882391|3.715591|4.343540|6.275942|7.843068|5.342797|3.999893|23.790614|36.858105| |2.992418|3.847480|4.790633|7.181439|7.364985|4.887600|3.897370|16.474377|17.567067|0.500000| |2.696805|3.370242|3.727087|4.843129|5.963581|4.794855|3.704874|14.023882|12.530087|0.246948|36.858105| |2.417747|2.986213|3.400888|4.521696|5.273815|4.053141|3.191983|14.339992|12.478566|0.247120|7.527526|36.858105| |2.421526|2.972308|3.442509|4.535838|4.950270|3.810415|3.097340|12.083755|7.737504|0.196412|4.996471|13.160811|53.358707| |2.303495|2.784190|3.109866|3.892199|4.327551|3.576708|2.947384|9.969214|5.437864|0.135660|3.970350|7.722601|19.175623|36.858105| |2.170846|2.597860|2.802374|3.413814|3.950988|3.451255|2.827173|9.135193|4.851280|0.115579|3.825890|6.731679|11.515268|15.867176|73.516695| |2.291676|2.717035|3.048991|3.660702|3.805260|3.224630|2.789140|7.830235|4.133564|0.111252|3.154700|5.019242|10.696625|12.531509|14.254304|36.858105| |2.286235|2.693759|3.104396|3.725572|3.675802|3.051930|2.687721|7.361348|4.068311|0.115320|3.091313|4.831512|10.383736|8.890040|10.511799|17.581760|0.500000| |1.968627|2.262834|2.467741|2.834968|2.946638|2.622770|2.328315|5.912313|3.179350|0.085212|2.592008|3.825576|7.044820|7.427232|11.574299|12.403402|0.248635|36.858105| |1.988618|2.248705|2.429327|2.702106|2.746720|2.499826|2.283562|5.255537|2.757149|0.075180|2.285991|3.118356|5.451460|5.149807|8.257699|8.134198|0.193028|13.080074|53.358707| |2.264961|2.587668|2.762675|3.053460|3.136711|2.896926|2.650530|5.870982|2.930674|0.079264|2.410032|3.194309|5.498769|5.180590|8.420170|7.781858|0.174046|8.211357|17.921494|36.858105| |2.609913|3.112861|3.434037|4.001654|4.144446|3.630064|3.198326|7.915816|3.815109|0.103002|2.966079|4.144529|7.641884|7.373412|10.647244|12.075655|0.244148|7.731293|10.815194|12.236634|36.858105| |2.877393|3.534789|3.730610|4.384395|5.005512|4.597249|3.867403|9.615526|4.178976|0.107045|3.280047|4.340761|7.239245|6.768874|11.334523|7.288015|0.156028|5.406946|7.111833|7.456443|12.351020|36.858105| |3.290265|3.977959|3.958701|4.273871|4.722499|4.794312|4.369713|8.020708|3.481237|0.091581|2.877909|3.384983|5.258015|4.417891|7.569921|4.801948|0.115129|3.979877|5.722099|6.023637|7.467502|12.509814|36.858105| |4.054480|4.990482|5.120782|5.217008|5.170272|5.072760|4.997878|7.962184|3.503637|0.096652|2.871535|3.253734|5.050986|3.937973|6.379186|4.366257|0.113474|3.521986|5.121611|5.050239|6.457460|7.722942|12.677911|53.358707| |4.445177|5.152068|4.903969|4.594154|4.496444|4.712525|5.058843|6.786647|3.058512|0.084668|2.599724|2.815801|4.240881|3.266611|5.418518|3.561504|0.093852|3.010808|4.423585|4.218754|4.897476|5.689527|9.168115|25.711301|0.500000| |4.685705|6.381471|6.817593|7.148862|6.966881|6.578096|6.338234|9.779992|4.103542|0.114073|3.296173|3.623701|5.505049|4.087845|6.533438|4.290837|0.113488|3.350621|4.657767|4.339320|5.837281|7.141160|9.201988|25.589942|0.328315|0.500000| |3.440949|4.018878|4.453422|4.591497|4.218809|3.858650|3.786580|6.845855|3.241955|0.092505|2.630566|3.122299|5.083574|3.967822|6.151704|4.852074|0.133440|3.908480|6.007090|5.920093|7.397692|6.484902|7.644024|17.266326|0.254947|0.255269|36.858105| |2.959093|3.534998|4.096963|4.673827|4.366612|3.718619|3.417645|7.677472|3.748824|0.107535|2.905154|3.797967|6.762944|5.401834|7.708064|7.527429|0.216322|5.283375|7.813930|7.422680|12.335697|7.573910|6.517953|10.483792|0.157828|0.196201|12.508491|36.858105| |1.879705|2.087139|2.267471|2.471834|2.440371|2.223825|2.075468|4.565014|2.442552|0.068120|2.054162|2.706956|4.617834|4.012407|6.369409|5.799794|0.162416|7.611173|18.935384|7.859293|5.682974|3.998425|3.477788|4.521531|0.081897|0.084335|4.065198|5.064002|36.858105| |1.937112|2.122890|2.298955|2.449693|2.376536|2.187085|2.081850|4.327706|2.291845|0.064564|1.941094|2.463418|4.108788|3.440822|5.486482|4.735922|0.135601|5.379264|11.520716|7.000309|5.162585|3.754633|3.476700|4.693424|0.086508|0.085892|4.409601|5.122461|15.894734|73.516695| |1.669293|1.840184|2.000914|2.183866|2.156408|1.961996|1.829324|4.077049|2.249042|0.062918|1.922156|2.531560|4.237932|3.575178|5.757132|4.736646|0.137978|6.369082|10.585603|5.028283|4.181742|3.188346|2.777348|3.637375|0.066976|0.069808|3.142569|3.824082|12.642076|14.361077|36.858105| |1.526838|1.674836|1.795340|1.953052|1.960875|1.809570|1.684607|3.732890|2.062617|0.056902|1.795275|2.336412|3.800898|3.236693|5.462896|4.007452|0.110506|5.594078|8.550699|4.312349|3.555030|2.877945|2.521824|3.223853|0.060055|0.062024|2.677519|3.144049|7.669240|10.033746|13.751011|36.858105| |1.388544|1.512537|1.619260|1.754118|1.756784|1.624881|1.518127|3.342249|1.875882|0.051926|1.658314|2.120967|3.367032|2.776976|4.729230|3.254533|0.091463|4.206675|5.931753|3.294418|2.872791|2.411653|2.140713|2.768664|0.052120|0.053947|2.267011|2.614952|5.052969|7.394310|7.909374|13.735686|36.858105| |1.363197|1.480399|1.597709|1.727879|1.708731|1.569118|1.471861|3.235753|1.840238|0.051584|1.629512|2.069123|3.272799|2.615005|4.367062|3.035054|0.088596|3.688055|5.105116|2.932775|2.661970|2.232675|1.993827|2.634814|0.049708|0.051823|2.174734|2.512490|4.446999|6.805615|6.851147|7.953347|13.797070|36.858105| |1.461902|1.591371|1.738250|1.882972|1.834874|1.666253|1.565959|3.455765|1.971660|0.056019|1.724784|2.204860|3.546488|2.789018|4.519873|3.323022|0.101222|3.893161|5.456562|3.130322|2.898322|2.369612|2.113133|2.846527|0.053414|0.056124|2.402537|2.822561|5.010752|7.774042|7.920191|6.895294|7.951992|13.736044|36.858105| |1.625057|1.782350|1.960017|2.133215|2.068432|1.865018|1.749022|3.886512|2.188114|0.062316|1.877563|2.444562|4.053908|3.245845|5.132935|4.122216|0.128626|4.890245|7.256999|3.953519|3.594961|2.801924|2.473806|3.345066|0.062010|0.065322|2.906218|3.519414|7.492972|11.038647|13.638906|7.932725|6.859974|7.920287|13.765049|36.858105| |1.761424|1.932506|2.163723|2.347829|2.215954|1.971633|1.862344|4.100577|2.316612|0.067482|1.966466|2.534420|4.232622|3.254103|4.990749|4.152883|0.138685|4.374861|6.465696|3.844913|3.715638|2.859551|2.555552|3.591421|0.066397|0.070707|3.224497|3.954389|6.363416|10.766207|7.507803|5.014783|4.445452|5.047633|7.656332|12.625640|36.858105| |1.673140|1.827836|2.056709|2.230987|2.091639|1.853864|1.753386|3.874579|2.239943|0.065992|1.923644|2.444052|3.988419|2.951357|4.549936|3.541292|0.118189|3.612969|5.011541|3.107322|3.120862|2.506117|2.250574|3.184806|0.059382|0.063893|2.782534|3.340539|4.469194|7.587510|5.267062|4.037056|3.885063|4.684845|7.077309|8.132848|14.421759|97.533100| |1.769412|1.912372|2.126244|2.252596|2.104626|1.898283|1.824263|3.809955|2.119373|0.061838|1.817486|2.258149|3.686813|2.826317|4.410657|3.551321|0.114023|3.675841|5.750777|3.635182|3.427779|2.689994|2.495998|3.574628|0.067189|0.069493|3.269641|3.790743|5.750754|11.402125|6.022010|4.310536|3.835691|4.231871|5.814907|8.067973|14.501358|20.204540|97.533100| |1.986000|2.220471|2.532937|2.806218|2.624455|2.284725|2.134375|4.879818|2.745277|0.080689|2.262437|3.015272|5.266894|4.029347|5.896199|5.471556|0.202624|5.268357|7.574054|4.596610|4.755776|3.457796|3.005937|4.278846|0.077126|0.084786|3.956186|5.280214|6.878735|11.289532|6.677962|4.550154|3.855407|4.076980|5.417635|8.100429|14.218844|20.151067|20.103197|97.533100| |17.564611|8.819490|5.663258|4.189979|3.931395|4.657695|6.975646|5.502963|2.634786|0.074468|2.475880|2.259265|3.094426|2.207041|3.746264|2.207836|0.060458|1.922601|2.667475|2.252194|2.547115|2.847948|3.364051|5.531979|0.129362|0.125274|3.363225|2.833095|1.847246|3.396366|1.633636|1.503400|1.364668|1.331896|1.419948|1.577413|1.693992|3.597187|3.844918|4.267268|0.500000| |17.551349|8.859690|6.165440|4.405243|3.972211|4.489481|6.366824|5.523058|2.743743|0.079159|2.650305|2.290533|3.064510|2.123231|3.581049|2.085345|0.057927|1.806945|2.462494|2.028766|2.319278|2.541941|2.825714|4.539349|0.099067|0.105602|2.903762|2.583635|1.715364|3.123868|1.542878|1.419937|1.301488|1.281794|1.370313|1.509818|1.630887|3.518712|3.673106|4.104748|0.302687|0.500000| |17.575919|8.824215|7.113175|4.692459|3.933682|4.168898|5.592934|5.482651|2.710550|0.079629|2.500605|2.310829|3.204931|2.238669|3.708882|2.270131|0.063779|1.955884|2.716615|2.261570|2.586352|2.762133|3.141793|5.414321|0.121551|0.124779|3.556053|3.015556|1.912883|3.542000|1.697948|1.542097|1.403261|1.384873|1.494560|1.664994|1.824526|3.904723|4.164706|4.622272|0.301416|0.302510|0.500000| |6.970809|8.919371|17.700879|8.949802|5.646945|4.968831|5.670487|7.459815|3.754795|0.118304|3.263040|3.053004|4.275011|2.836449|4.510813|2.849174|0.082464|2.339220|3.168924|2.606920|3.167769|3.281612|3.463541|6.118818|0.121823|0.154260|4.245504|3.892279|2.220205|4.047049|1.972193|1.758546|1.594108|1.586871|1.739307|1.958104|2.194284|4.732061|4.904236|5.750990|0.144126|0.163625|0.214981|0.500000| |4.084049|5.617904|8.927684|17.736318|8.872622|5.640716|4.964551|12.550118|6.637019|0.244087|4.840230|4.898986|6.908300|4.122399|6.186014|3.908039|0.115380|2.974478|3.812142|3.080841|4.068429|4.152476|3.855388|6.287086|0.111625|0.163414|4.467234|4.892653|2.592623|4.540474|2.313494|2.045137|1.841959|1.832805|2.020439|2.295202|2.570085|5.554614|5.485015|7.025970|0.096933|0.102866|0.111987|0.217524|0.500000| |4.074744|5.601892|4.970859|5.664114|8.955536|17.728595|8.881853|13.335669|5.055550|0.121495|4.800365|4.016350|5.003099|3.544006|6.351427|3.114245|0.080153|2.586602|3.321667|2.815521|3.452073|4.505517|4.602457|6.042448|0.115303|0.147960|3.424206|3.356223|2.147691|3.719427|1.906227|1.781635|1.602873|1.537200|1.615918|1.797374|1.870959|3.955600|4.034821|4.831404|0.110251|0.104899|0.095979|0.107812|0.124211|0.500000| |6.978203|8.898914|5.672876|4.961686|5.644912|8.968705|17.700793|7.585719|3.370832|0.090096|3.235290|2.791666|3.676996|2.622695|4.567982|2.493364|0.066280|2.136147|2.872213|2.443347|2.852051|3.450631|3.986755|5.917770|0.127448|0.141587|3.331312|2.978943|1.923072|3.437874|1.702318|1.583195|1.431899|1.383576|1.461289|1.621794|1.710930|3.624627|3.789306|4.353264|0.206758|0.172876|0.141593|0.124283|0.107700|0.215368|0.500000| |2.533567|3.122744|3.313542|4.141175|5.299480|4.647180|3.554684|12.665110|8.846353|0.173817|17.573267|6.871789|6.303764|3.913637|7.082430|3.060844|0.081172|2.567469|3.069187|2.383611|2.890044|3.281432|2.871775|3.773580|0.070064|0.086973|2.503665|2.742399|2.005299|3.353300|1.876929|1.774714|1.639143|1.596268|1.671392|1.813002|1.870492|4.089811|3.893491|4.799673|0.065900|0.069107|0.064760|0.080394|0.111435|0.139102|0.088695|0.500000| |2.409218|2.916928|3.246227|4.066309|4.594217|3.797357|3.105036|10.093110|8.833846|0.213109|17.562844|6.813183|6.273888|3.633271|6.186826|2.927942|0.081165|2.452931|2.933244|2.225488|2.687641|2.871033|2.524017|3.443988|0.064071|0.079229|2.380103|2.646790|1.960660|3.284802|1.865218|1.747284|1.631657|1.616543|1.710997|1.842899|1.930110|4.307952|3.992566|4.953081|0.061482|0.066330|0.063011|0.081725|0.117911|0.104766|0.076627|0.300348|0.500000| |2.992089|3.774384|4.128064|5.232702|6.354303|5.293884|4.154507|12.610236|8.835695|0.213142|17.575351|5.488069|5.623888|3.408001|5.817483|2.838058|0.077801|2.352206|2.891216|2.264205|2.761013|3.070982|2.803219|3.897628|0.073180|0.092478|2.590030|2.775390|1.928526|3.283352|1.795743|1.673844|1.547716|1.524243|1.616317|1.759203|1.855719|4.086901|3.908668|4.779563|0.075227|0.083114|0.075963|0.099127|0.139093|0.143006|0.099950|0.300936|0.301662|0.500000| |2.198004|2.650042|3.014221|3.859682|4.251684|3.392441|2.778795|10.248760|8.892383|0.213236|6.933489|17.566734|12.421697|5.977328|9.504935|4.273956|0.119119|3.447675|3.845436|2.811847|3.490903|3.522748|2.852838|3.787461|0.068165|0.084926|2.728604|3.277837|2.514743|4.067663|2.417727|2.245610|2.076761|2.052373|2.185674|2.379938|2.466174|5.473714|4.909731|6.493094|0.056944|0.058561|0.058832|0.077101|0.118646|0.093186|0.068442|0.171648|0.205776|0.141274|0.500000| |2.300363|2.814072|3.084468|3.947456|4.814695|3.970042|3.098379|12.998718|8.858762|0.174302|6.856053|17.659720|12.657902|7.554202|14.180091|4.745227|0.119808|3.799260|4.183263|3.166989|3.996591|4.401563|3.403777|4.264886|0.075921|0.095279|2.937821|3.488883|2.620926|4.217436|2.450489|2.309133|2.095078|2.014466|2.109611|2.323551|2.354310|5.063246|4.747891|6.187206|0.060625|0.060654|0.060508|0.076388|0.112794|0.115019|0.076849|0.204960|0.167800|0.140607|0.302023|0.500000| |2.455656|2.994782|3.578294|4.710465|4.724918|3.591310|3.014054|10.485131|6.825573|0.202089|4.530155|9.042124|26.075450|9.412884|10.872721|7.540824|0.244305|4.955860|5.425434|3.955871|5.468235|4.797083|3.656590|5.030351|0.086372|0.112138|3.896590|5.352373|3.513181|5.616724|3.240096|2.827454|2.512876|2.490106|2.764256|3.192205|3.460554|7.420315|6.709650|10.022717|0.063388|0.063300|0.067359|0.092985|0.156440|0.093381|0.072549|0.112309|0.119542|0.108104|0.213760|0.179974|0.500000| |1.820518|2.073034|2.272892|2.599720|2.664252|2.362869|2.113268|5.339234|2.982417|0.081029|2.467587|3.634413|6.565008|6.264783|9.759600|8.694949|0.223259|17.674765|12.277305|5.817030|5.611545|4.210780|3.275264|4.093018|0.072800|0.080758|3.353258|4.415483|7.134955|8.871968|7.385279|6.522025|4.986984|4.409471|4.665285|5.809879|4.878968|9.181411|8.715861|12.741182|0.049152|0.046820|0.050477|0.060575|0.076919|0.064608|0.053984|0.067499|0.066154|0.062026|0.094657|0.098905|0.132488|0.500000| |1.900002|2.181101|2.334656|2.672699|2.857123|2.597108|2.287501|5.809196|3.093648|0.080771|2.574627|3.754038|6.537344|7.111723|13.221658|8.788804|0.175613|17.609843|12.424275|7.122415|6.532981|5.363350|3.931469|4.524968|0.079910|0.087941|3.501530|4.428643|5.779536|7.832580|5.089628|5.001276|3.901803|3.337675|3.368268|3.987197|3.537205|6.810641|6.908656|9.127537|0.051935|0.048654|0.051917|0.060848|0.076401|0.072701|0.058925|0.072385|0.067383|0.064609|0.093496|0.108526|0.121096|0.301598|0.500000| |2.297139|2.574347|2.731581|2.925817|2.928931|2.745090|2.588068|5.291906|2.645800|0.072716|2.208216|2.797905|4.674901|4.115351|6.700794|5.725561|0.143107|5.856488|12.499474|17.687733|8.545765|5.999329|5.728525|7.064780|0.124613|0.119136|6.587921|7.188486|7.641214|14.822596|4.773561|4.030091|3.122885|2.818176|3.037902|3.846583|3.843625|6.916186|8.633235|10.083645|0.063855|0.056779|0.064510|0.072662|0.081624|0.073231|0.066674|0.060292|0.056837|0.058504|0.069361|0.076291|0.095783|0.129323|0.143071|0.500000| |2.183081|2.483537|2.586181|2.840837|3.006953|2.859226|2.604539|5.672072|2.800424|0.074181|2.349483|3.055197|5.058783|4.828852|8.542836|6.301644|0.137856|7.038988|12.561738|17.552123|8.738789|7.451508|6.175634|6.371358|0.111790|0.111993|4.924359|5.568986|5.965612|9.525354|4.288931|3.980385|3.101443|2.711050|2.802260|3.393323|3.215806|6.033905|6.874574|8.296420|0.061027|0.054573|0.059811|0.067042|0.078063|0.079083|0.067770|0.065714|0.060003|0.061292|0.074551|0.086757|0.097767|0.142093|0.202287|0.301609|0.500000| |2.550325|3.057121|3.148788|3.636664|4.231390|4.045444|3.408378|8.441832|3.811787|0.095305|3.111065|4.122955|6.619019|6.559589|12.793883|6.556574|0.136347|5.532232|7.026547|6.992431|8.760259|17.614537|8.957486|7.633474|0.126929|0.145145|4.862191|5.499789|3.837074|6.247232|3.128938|2.924705|2.450828|2.229783|2.317385|2.700041|2.668529|5.284637|5.613867|7.056714|0.070900|0.063658|0.067607|0.077701|0.096171|0.116213|0.087223|0.089088|0.076247|0.080013|0.094132|0.122620|0.117798|0.118371|0.168363|0.151056|0.228133|0.500000| |3.085652|3.957046|4.262500|5.380620|6.698317|5.738851|4.443782|13.862738|5.410217|0.133401|4.019736|5.421551|8.807035|7.574895|12.320602|6.783824|0.152839|4.761335|5.888999|5.458791|8.757379|17.612361|8.969500|9.546650|0.146397|0.212139|5.690207|6.732970|3.467572|5.781760|2.889668|2.615784|2.242677|2.108978|2.246383|2.616660|2.707664|5.471636|5.680530|7.396873|0.083217|0.076124|0.081038|0.100761|0.138855|0.154877|0.106377|0.111024|0.094642|0.103306|0.115744|0.151338|0.155280|0.108291|0.130748|0.127968|0.147914|0.306214|0.500000| |2.938328|3.377276|3.336801|3.492641|3.729500|3.806657|3.613273|6.414895|2.933272|0.077983|2.484095|2.915965|4.534805|3.859716|6.713423|4.377569|0.105726|3.910710|5.983701|6.588126|6.688503|8.702424|17.612743|12.431282|0.222482|0.180828|7.046892|5.789604|3.662083|6.654059|2.866564|2.621694|2.204074|2.030729|2.137739|2.509228|2.557325|5.004956|5.705259|6.634864|0.084755|0.070725|0.079230|0.083880|0.089803|0.103085|0.094699|0.069124|0.061666|0.067220|0.069958|0.081828|0.088654|0.089343|0.107957|0.187069|0.198283|0.210363|0.173429|0.500000| |3.456241|4.203250|3.947574|4.191801|4.895383|5.470554|4.962192|8.153484|3.452803|0.089028|2.945652|3.273058|4.825377|3.946440|7.044755|3.996576|0.097055|3.395778|4.729412|4.604326|5.453370|8.796791|17.635618|12.385067|0.224270|0.223013|5.601104|4.885821|2.929788|5.177486|2.424280|2.244773|1.939457|1.811007|1.901458|2.183783|2.242496|4.523348|4.925575|5.830849|0.100309|0.082766|0.088769|0.093729|0.101509|0.152809|0.129974|0.083109|0.070858|0.080703|0.076687|0.093345|0.091763|0.079624|0.095723|0.121628|0.136109|0.213044|0.217693|0.300902|0.500000| |3.051546|3.408825|3.620354|3.658616|3.465847|3.288528|3.268581|5.759384|2.782325|0.078438|2.318316|2.737525|4.407245|3.534848|5.648071|4.386910|0.118560|3.819799|6.260732|6.383491|6.572213|5.693352|7.003492|12.429468|0.223606|0.180738|17.629097|8.739440|4.332343|8.793495|3.254063|2.784624|2.333387|2.214271|2.428269|2.947999|3.208985|6.121329|7.515267|8.553782|0.084988|0.072450|0.087743|0.097188|0.099010|0.083577|0.082741|0.062119|0.058847|0.063285|0.067420|0.072877|0.092641|0.090906|0.095924|0.226102|0.148246|0.127380|0.131918|0.213220|0.144231|0.500000| |3.767169|4.291488|4.913114|4.757092|4.073894|3.708341|3.791980|6.382163|3.098184|0.090887|2.547597|2.910426|4.624956|3.447469|5.346512|4.061215|0.116933|3.330029|5.009376|4.530380|5.426608|4.887437|5.596848|12.370929|0.223232|0.223268|17.629040|8.785596|3.553855|6.950157|2.859978|2.437165|2.104564|2.053692|2.287933|2.733698|3.116195|6.183963|7.255671|8.501718|0.100150|0.087210|0.112726|0.137497|0.130171|0.089421|0.091993|0.066428|0.064536|0.070768|0.071897|0.075003|0.100846|0.082288|0.082991|0.139278|0.107479|0.107480|0.128301|0.144330|0.126689|0.301482|0.500000| |3.175519|3.930411|4.855174|5.965255|5.268734|4.159482|3.735509|9.203035|4.527068|0.134937|3.350840|4.433153|8.021641|5.754704|7.875572|7.089624|0.219394|4.709171|6.339793|5.462401|8.816951|6.741344|5.655052|9.408370|0.144717|0.206523|8.945693|17.532005|4.181705|7.331553|3.400241|2.840785|2.427670|2.371696|2.671428|3.249305|3.710082|7.377394|7.843257|11.202631|0.082194|0.077301|0.089654|0.127166|0.184651|0.101298|0.087784|0.085545|0.084258|0.088816|0.104847|0.108188|0.186662|0.114078|0.111715|0.142525|0.123712|0.138410|0.195129|0.132447|0.126801|0.173579|0.218330|0.500000| |2.647276|3.053144|3.529292|3.908657|3.585396|3.097299|2.905791|6.358518|3.271797|0.095399|2.599090|3.382098|5.986231|4.719526|6.790545|6.834388|0.221319|5.311056|8.355882|6.998054|8.769136|5.505980|4.905823|7.636024|0.127127|0.143674|8.992275|17.588089|6.048166|11.379650|4.443424|3.468067|2.859325|2.785437|3.222298|4.175813|4.957196|9.001539|10.828746|15.873564|0.070391|0.065063|0.076204|0.096816|0.117067|0.078542|0.071557|0.068017|0.067253|0.068958|0.083972|0.086017|0.136178|0.128897|0.118509|0.201850|0.141079|0.123087|0.137883|0.130320|0.107865|0.214403|0.211738|0.303149|0.500000| |1.533660|1.683296|1.785874|1.939665|1.972284|1.839771|1.709521|3.760670|2.050636|0.055921|1.791450|2.319804|3.743424|3.262368|5.670055|3.995761|0.105111|5.764668|9.104092|4.644797|3.652491|3.017992|2.647645|3.301156|0.061606|0.062958|2.694826|3.115255|7.165560|9.556502|8.943584|17.730565|8.917277|5.655953|4.964598|5.645575|4.084298|7.550026|8.238370|8.812454|0.042216|0.039558|0.042797|0.048215|0.055761|0.050716|0.044864|0.049638|0.048102|0.046409|0.061290|0.064672|0.075823|0.171760|0.153797|0.118747|0.124859|0.087268|0.074970|0.077545|0.065579|0.078725|0.067198|0.077350|0.092918|0.500000| |1.308552|1.420379|1.508378|1.628550|1.643399|1.533331|1.433670|3.129032|1.754813|0.048249|1.569363|1.980259|3.086651|2.544013|4.431306|2.892444|0.079769|3.687343|5.118450|2.958008|2.587155|2.233611|1.997533|2.561599|0.048542|0.049973|2.061632|2.338425|4.126262|6.231018|5.639088|8.922357|17.731499|8.921808|5.649151|4.946364|3.554352|7.206009|7.126412|7.158176|0.035850|0.034186|0.036602|0.041128|0.047176|0.042296|0.037783|0.043386|0.042938|0.040718|0.053985|0.054928|0.063212|0.117699|0.099393|0.077860|0.079588|0.063881|0.057854|0.057276|0.050820|0.059035|0.053205|0.060616|0.069718|0.215417|0.500000| |1.271377|1.373858|1.477811|1.591776|1.575001|1.452297|1.366062|2.977665|1.703961|0.047774|1.526812|1.906984|2.960598|2.331408|3.931931|2.628688|0.076452|3.102779|4.228556|2.520967|2.325093|1.993740|1.795764|2.379335|0.045190|0.047053|1.941282|2.211032|3.555774|5.620419|4.942112|5.649377|8.920080|17.735869|8.927741|5.645249|4.121973|9.147314|8.055196|7.670084|0.034506|0.033374|0.035858|0.040847|0.046831|0.039608|0.035793|0.041599|0.042317|0.039751|0.053021|0.051690|0.062399|0.100973|0.079838|0.067566|0.065634|0.055457|0.052790|0.050663|0.045763|0.054728|0.051338|0.058640|0.067282|0.124218|0.214509|0.500000| 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