Version2.0 2020-02-16T08:53:29Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)cc([nH]2)CNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)[C@@H]5CCCN5C(=O)C(F)(F)F C39671397 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)cc([nH]2)CNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)[C@@H]5CCCN5C(=O)C(F)(F)F C01[X(C25H31F3N5O3)] 195 C1 602 O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1cc2c([nH]1)cccc2 O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1cc2c([nH]1)cccc2 FC(F)(F)C(=O)N1CCC[C@H]1C(=O)N2C[C@H](C(=O)NCc3[nH]c4ccccc4c3)C5(CC[NH2+]CC5)C2 InChIKey=SFPMKRIBPKMDJX-QUCCMNQESA-O InChI=1S/C25H30F3N5O3/c26-25(27,28)23(36)33-11-3-6-20(33)22(35)32-14-18(24(15-32)7-9-29-10-8-24)21(34)30-13-17-12-16-4-1-2-5-19(16)31-17/h1-2,4-5,12,18,20,29,31H,3,6-11,13-15H2,(H,30,34)/p+1/t18-,20+/m1/s1 InChI=1/C25H30F3N5O3/c26-25(27,28)23(36)33-11-3-6-20(33)22(35)32-14-18(24(15-32)7-9-29-10-8-24)21(34)30-13-17-12-16-4-1-2-5-19(16)31-17/h1-2,4-5,12,18,20,29,31H,3,6-11,13-15H2,(H,30,34)/p+1/t18-,20+/m1/s1/fC25H31F3N5O3/h29-30H/q+1 c1ccc2c(c1)cc([nH]2)CNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)[C@@H]5CCCN5C(=O)C(F)(F)F C01[X(C25H31F3N5O3)] 195 C01 602 O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1cc2c([nH]1)cccc2 O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1C[C@@H](C2(C1)CC[NH2]CC2)C(=O)NCc1cc2c([nH]1)cccc2 FC(F)(F)C(=O)N1CCC[C@H]1C(=O)N2C[C@H](C(=O)NCc3[nH]c4ccccc4c3)C5(CC[NH2]CC5)C2 InChIKey=XVXVNRXFYCHLSV-QUCCMNQESA-N InChI=1S/C25H31F3N5O3/c26-25(27,28)23(36)33-11-3-6-20(33)22(35)32-14-18(24(15-32)7-9-29-10-8-24)21(34)30-13-17-12-16-4-1-2-5-19(16)31-17/h1-2,4-5,12,18,20,31H,3,6-11,13-15,29H2,(H,30,34)/t18-,20+/m1/s1 InChI=1/C25H31F3N5O3/c26-25(27,28)23(36)33-11-3-6-20(33)22(35)32-14-18(24(15-32)7-9-29-10-8-24)21(34)30-13-17-12-16-4-1-2-5-19(16)31-17/h1-2,4-5,12,18,20,31H,3,6-11,13-15,29H2,(H,30,34)/t18-,20+/m1/s1/f/h30H 4168.6436570449 -1759.7794915 1-A 19155.1983 133 469 602 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.42716 -26.42674 -26.42330 -20.64310 -20.64211 -20.62201 -15.85421 -15.69793 -15.69628 -15.69434 -15.66314 -11.59285 -11.46726 -11.46382 -11.44717 -11.44571 -11.43812 -11.38623 -11.38205 -11.37758 -11.37549 -11.37413 -11.37054 -11.36458 -11.35860 -11.35577 -11.33667 -11.32400 -11.32209 -11.31794 -11.28594 -11.28404 -11.28297 -11.28132 -11.28021 -11.27304 -1.82754 -1.72358 -1.72323 -1.51348 -1.50841 -1.49350 -1.48913 -1.37629 -1.36985 -1.36828 -1.34237 -1.25241 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3261.6588 3271.3860 3273.8928 3274.8577 3284.4759 3284.8128 3290.8121 3291.4379 3296.8174 3310.2021 3322.1211 3324.7305 3332.4793 3335.5517 3342.5618 3347.7408 3355.9512 3363.8544 3375.9731 3389.6043 3420.4977 3663.6295 3731.0068 3887.3956 3908.2723 5.4224 8.7478 5.7996 6.4230 6.2544 5.5270 5.8025 5.7494 7.6357 5.9242 3.9184 3.8303 5.4849 5.9837 3.7129 5.3996 4.6583 4.1573 3.4314 3.7952 4.2229 4.4539 4.5797 4.6413 3.7353 2.9514 3.0229 2.9389 4.2307 4.1205 2.8952 3.6781 5.2605 2.3967 7.0272 2.7421 8.0247 1.4028 3.3181 2.9205 1.6102 3.1984 2.7090 2.4018 2.8566 4.3708 9.3003 4.2280 3.9978 2.4047 3.2864 6.3741 3.0126 5.1518 4.0521 3.6714 4.4648 3.7946 4.2672 3.7195 5.1009 1.6861 3.2430 2.5377 4.9130 3.5703 8.5908 1.6089 2.9781 3.3266 1.7251 1.6508 2.2361 4.0445 2.0590 1.5112 2.9346 3.5421 1.6529 2.4252 2.7333 2.0455 1.3506 2.0480 2.9840 2.1426 1.9004 1.9960 1.3235 2.2929 2.4706 2.8824 2.1184 2.0201 2.0515 3.3945 2.4196 1.6861 2.1483 1.6193 1.8355 1.6287 1.3037 1.4589 1.5670 2.0404 2.2959 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0.0423 3.5815 3.8251 4.4672 2.1887 5.2535 3.8923 0.0504 9.9851 9.8926 6.2475 3.4859 3.0690 5.7129 2.0200 2.5274 5.4501 1.7604 2.1895 11.4291 4.1237 2.9450 0.7060 6.7685 0.0951 7.6606 13.0975 4.1240 3.9800 1.3112 3.1471 5.9712 13.2867 29.1537 50.8348 8.7071 80.4395 0.7296 6.0594 113.4769 1.3943 10.0971 9.9423 9.7256 7.3674 9.0450 3.8670 9.4596 1.1216 1.3023 1.5565 10.8226 14.0003 11.8928 14.4224 34.6127 16.2043 22.6030 13.2462 2.5850 23.9740 4.1400 36.1753 5.3988 7.3117 28.9715 3.0431 18.2994 10.8545 28.5344 13.0909 6.1620 2.2334 2.2439 2.1572 2.0786 6.4258 8.9186 0.2752 7.6645 16.1158 2.3002 3.9603 15.8050 12.3341 7.5395 2.6249 0.0798 5.2553 0.7807 43.9921 11.9581 7.0531 5.4632 10.2520 1.5951 24.3274 2.9756 2.3146 4.8859 18.5000 8.5937 35.4544 32.4604 20.2864 46.6636 123.7574 21.6782 85.5647 55.3237 7.6353 44.7401 192.0729 133.5163 28.0697 114.5991 62.6325 71.2126 53.0218 8.9730 138.9518 121.3001 16.1092 10.7521 30.9596 100.6786 57.6843 5.8853 5.8368 34.1964 4.6662 33.8365 23.7548 37.7119 14.2109 9.0116 0.0576 15.4851 12.9048 65.9093 36.9008 291.7330 21.1040 10.9595 7.3169 0.5451 20.6954 40.4850 33.8432 123.7154 17.3118 7.5928 7.7961 4.8583 6.3357 448.5056 16.7259 1.2689 17.0780 112.2103 215.8745 586.0585 250.7237 1.7050 46.1861 30.5644 23.4875 14.1043 17.0957 17.9165 22.0176 6.5262 10.5371 9.2522 12.1124 9.9941 15.1828 9.6031 35.5663 7.3285 3.5287 12.5289 6.4848 12.4400 3.7071 3.8322 1.7544 35.8620 29.2209 6.8766 65.0451 83.9430 35.7336 109.4763 2.6915 0.8495 2.6075 1.7016 3.2560 4.5820 2.0450 0.7732 0.3366 0.3874 0.4673 1.9472 1.9066 1.2121 0.6783 0.0465 0.5888 0.5211 0.7847 0.5239 0.2756 1.1150 0.9016 0.2392 0.5226 0.2729 0.3763 0.5307 0.4999 1.1927 0.6069 0.3154 1.8242 0.4230 1.0878 3.1508 1.8120 1.1683 0.2298 1.0033 0.0999 1.0151 2.1989 1.3370 2.8102 2.8254 0.3390 1.5649 1.1687 0.9263 0.0936 9.8563 0.8685 1.2603 5.1247 3.7182 0.7484 7.0170 4.1072 1.5634 6.7148 2.0651 1.1046 1.4368 11.6004 1.5810 1.3050 2.3711 6.4211 1.8505 3.4560 0.4770 5.3776 5.9720 3.1643 1.8204 3.3378 3.3713 2.6562 3.9274 8.9580 5.1510 0.1939 3.1757 6.5005 3.2237 2.5267 10.2092 0.7618 20.6579 19.7786 1.1409 7.4345 6.4283 6.0001 1.9846 2.4040 5.3464 3.3749 11.9376 6.0767 2.4224 12.4447 9.7479 1.0057 2.7388 8.0296 5.9145 1.5277 13.3883 7.6775 7.5556 4.0401 0.5870 1.7428 82.4107 8.9630 2.3536 8.6880 9.4356 30.1532 1.0814 3.0315 8.2622 8.3644 16.5987 0.8055 1.0775 1.5518 4.9582 0.8803 2.4047 1.5963 2.8796 5.2079 2.7210 7.8548 1.7560 1.8231 1.0247 0.7277 15.4762 4.8363 23.2442 19.2336 16.8021 20.7024 3.4579 6.7009 1.9659 2.5871 5.9312 2.6304 5.4108 5.8614 6.8469 14.2938 136.1995 84.1760 22.3967 5.1880 2.9607 11.7129 12.2595 18.1205 78.6034 65.0825 80.4256 90.7977 62.0286 62.2609 106.5905 24.8749 163.9680 77.2190 29.6835 46.8067 45.3018 154.0135 45.1756 61.0836 58.9907 53.3859 54.7777 63.4171 38.1714 25.7374 110.1050 62.9466 257.1216 83.3279 64.6620 60.9797 37.8977 55.5148 0.7490 0.7162 0.7084 0.7467 0.7500 0.7395 0.7233 0.7422 0.7490 0.7376 0.7500 0.7491 0.7496 0.6854 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12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 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 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 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 16150.4255 23326.9081 30723.1057 0.99938 0.03287 0.01262 -0.03238 0.99879 -0.03695 -0.01382 0.03652 0.99924 1 0.00536 0.00371 0.00282 0.11175 0.07737 0.05874 10.59 15.06 33.13 51.65 53.88 57.75 82.97 87.64 105.88 113.89 121.52 132.55 173.93 187.91 218.86 231.57 252.16 280.72 292.12 319.26 334.64 362.81 382.39 387.18 401.14 405.25 419.81 438.67 460.06 488.59 513.27 526.39 539.15 559.45 594.56 614.49 628.41 649.27 659.46 694.42 698.31 709.13 717.73 769.45 794.71 798.90 821.05 841.16 850.08 908.11 908.85 955.70 969.36 999.03 1015.69 1024.74 1103.86 1127.59 1158.41 1171.40 1181.88 1203.22 1212.77 1216.89 1235.69 1240.47 1248.49 1264.81 1289.06 1323.57 1329.19 1353.34 1367.87 1381.54 1385.38 1387.33 1399.76 1430.53 1441.53 1459.19 1465.35 1518.95 1533.83 1541.33 1552.74 1566.82 1576.03 1592.33 1594.48 1602.67 1608.30 1618.05 1630.75 1633.50 1638.08 1655.61 1691.65 1762.00 1766.77 1774.47 1786.01 1803.41 1834.45 1846.74 1863.01 1902.73 1908.57 1909.35 1915.12 1930.38 1940.59 1956.53 1958.38 1964.77 1971.00 1997.04 2007.87 2010.21 2015.10 2038.16 2044.92 2068.08 2078.17 2082.34 2089.03 2100.89 2109.44 2114.79 2151.15 2159.27 2159.71 2164.83 2187.02 2192.29 2200.30 2203.80 2230.92 2235.80 2242.50 2258.97 2275.64 2281.74 2303.39 2334.84 2338.92 2355.24 2358.84 2367.19 2367.34 2378.42 2385.47 2389.44 2398.44 2407.50 2416.62 2431.75 2471.13 2519.77 2587.54 2618.34 2626.62 2728.85 2768.87 2789.21 4603.81 4618.90 4650.83 4655.65 4662.95 4682.49 4692.80 4706.79 4710.40 4711.79 4725.63 4726.11 4734.74 4735.65 4743.38 4762.64 4779.79 4783.55 4794.69 4799.11 4809.20 4816.65 4828.47 4839.84 4857.27 4876.88 4921.33 5271.15 5368.09 5593.10 5623.13 0.602523 0.632490 0.633434 0.537032 -1759.176969 -1759.147002 -1759.146057 -1759.242460 3.233372D-04 MUNgauss RevisionA2.0 retrievium 16-Feb-2020 DUDE c1ccc2c(c1)cc([nH]2)CNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)[C@@H]5CCCN5C(=O)C(F)(F)F C39671397 RHF 6-31G(d) (6D,10F) C1 506.237900 |X|Y|Z| 80.280284 100.773609 50.545115 74.224105 28 6 7 23 5 |36.858105| |13.561361|36.858105| |7.860658|13.859440|36.858105| |6.929291|8.048734|13.659846|36.858105| |7.975424|6.873885|7.793231|13.612210|36.858105| |13.865590|7.882921|6.743689|7.887840|13.617116|36.858105| |5.017461|4.555762|5.267347|8.363587|13.213533|7.282096|36.858105| |4.170606|4.182617|5.283339|8.514546|8.484201|5.249393|14.114568|36.858105| |4.645376|5.158861|7.588525|13.886120|8.515833|5.358779|8.551367|13.850910|53.358707| |3.927922|4.528941|6.617515|8.988272|5.953829|4.265848|6.001905|9.067864|26.094070|0.500000| |3.142078|3.169166|3.837299|5.210797|5.120548|3.749457|7.394167|12.731961|10.388168|0.193264|36.858105| |2.805448|2.870907|3.445533|4.395456|4.187821|3.235795|5.398257|7.701995|8.275305|0.167722|13.022968|53.358707| |2.622830|2.778460|3.387927|4.093949|3.651763|2.902363|4.268091|5.855153|7.654063|0.174682|7.738352|19.372461|36.858105| |2.647732|2.884388|3.609345|4.260659|3.603009|2.866995|4.031776|5.599184|8.190570|0.211979|6.814020|11.588215|15.735598|73.516695| |2.294224|2.414946|2.841478|3.263456|2.989987|2.493319|3.370216|4.160410|5.522821|0.121705|4.991331|10.701076|12.480198|14.125430|36.858105| |2.087645|2.167361|2.504484|2.868685|2.697733|2.279388|3.086627|3.726240|4.770911|0.103351|4.663238|9.590212|9.071788|11.336842|17.503890|0.500000| |2.362747|2.450046|2.818697|3.215006|3.031091|2.574468|3.371687|3.924332|5.156589|0.107728|4.345717|8.678568|7.347001|9.434359|12.356808|0.247134|36.858105| |2.067145|2.156998|2.435216|2.666845|2.506184|2.198870|2.696300|3.045109|4.122963|0.087304|3.293171|5.939309|5.100092|7.446244|8.119069|0.192469|13.051415|53.358707| |1.912653|2.021607|2.297872|2.483729|2.293151|2.012839|2.452330|2.814184|3.881580|0.084702|3.098017|5.462567|5.017847|7.803651|8.115754|0.203112|7.898994|17.826524|36.858105| |2.103954|2.259042|2.644254|2.893369|2.592207|2.219351|2.786460|3.340660|4.716115|0.107093|3.748862|6.799405|7.260838|11.671073|12.321711|0.248229|7.856384|11.019695|12.379587|36.858105| |2.300141|2.540993|3.026263|3.205770|2.762782|2.372555|2.848647|3.400180|5.135590|0.119682|3.549433|6.014148|6.141879|11.213769|7.430924|0.152395|6.258426|8.595866|7.527080|12.310608|36.858105| |2.038635|2.264214|2.633777|2.684502|2.332121|2.060227|2.357093|2.727677|4.126086|0.095235|2.810548|4.487268|4.221508|8.020159|4.850980|0.113084|4.322254|6.480382|5.997683|7.444656|12.521415|36.858105| |1.872377|2.069296|2.400104|2.459263|2.149443|1.898807|2.196619|2.556479|3.819842|0.089090|2.702557|4.227060|3.970944|7.897443|4.382694|0.108653|3.641928|5.291068|5.054880|6.485545|7.702745|12.626723|53.358707| |1.745167|1.928024|2.204757|2.225375|1.958774|1.754615|1.983457|2.269680|3.384138|0.077911|2.372062|3.631335|3.282260|6.442086|3.573662|0.090833|3.097819|4.555786|4.215443|4.911470|5.680284|9.145740|25.693520|0.500000| |1.968596|2.196780|2.584698|2.644762|2.275065|1.993375|2.318486|2.734704|4.159923|0.099423|2.884428|4.419998|4.188627|8.879073|4.301725|0.106061|3.487949|4.809521|4.358061|5.879413|7.119561|9.201072|25.660488|0.327653|0.500000| |1.749919|1.895931|2.178692|2.286592|2.046107|1.802858|2.142975|2.496568|3.591556|0.082373|2.741829|4.391752|4.134811|7.860438|4.856070|0.128426|3.839385|5.692681|5.943255|7.460858|6.478151|7.608819|17.237992|0.254614|0.255895|36.858105| |1.904611|2.046719|2.381949|2.580198|2.316075|1.998850|2.490343|2.979050|4.194719|0.096590|3.414677|5.791748|5.887146|10.796888|7.456530|0.198910|5.003034|6.959624|7.418093|12.396402|7.535707|6.478006|10.492724|0.157860|0.197928|12.500874|36.858105| |1.985729|2.062525|2.279221|2.441869|2.319646|2.086896|2.438542|2.662477|3.637070|0.075873|2.774633|4.716785|3.841899|5.896087|5.200039|0.129372|7.576607|19.089293|7.859344|5.397504|4.977735|4.179723|4.575594|0.083635|0.084506|3.476595|3.889245|36.858105| |1.804485|1.883669|2.063892|2.170006|2.053189|1.871712|2.131111|2.312577|3.195648|0.067195|2.399943|3.955576|3.239843|5.172681|4.217626|0.108218|5.301908|11.591515|7.023821|4.738806|4.496783|4.161754|4.578935|0.085883|0.082630|3.473893|3.655005|15.871949|73.516695| |2.108166|2.150749|2.333564|2.507640|2.442716|2.229092|2.554517|2.700151|3.637670|0.073719|2.735175|4.532105|3.467388|5.304143|4.285167|0.107676|6.398211|10.436015|4.979366|4.058539|3.944151|3.329813|3.734856|0.069305|0.071173|2.773039|3.093138|12.448781|14.314360|36.858105| |2.333269|2.358443|2.573750|2.827828|2.787233|2.510420|2.956443|3.115148|4.124041|0.082194|3.135550|5.276769|3.906987|5.809562|4.712215|0.116320|7.603408|9.992877|4.720659|4.134538|4.007022|3.245302|3.676420|0.067524|0.071398|2.723486|3.123209|8.752531|10.430195|17.633100|0.500000| |1.863960|1.872994|1.995915|2.138489|2.126491|1.974632|2.237395|2.320311|3.071051|0.061853|2.375116|3.832099|2.853494|4.418581|3.432972|0.091503|4.641928|7.354708|3.982387|3.244773|3.060562|2.700094|3.162581|0.059720|0.060423|2.395315|2.632952|7.508562|11.285705|12.370764|0.243403|36.858105| |1.859120|1.855126|1.938750|2.044580|2.050466|1.948236|2.111891|2.141354|2.860135|0.057096|2.134030|3.327767|2.451165|3.885668|2.808720|0.074140|3.611694|5.391982|3.129269|2.687299|2.646620|2.389867|2.804768|0.053664|0.054071|2.076544|2.235258|5.150757|8.431212|7.889228|0.180839|12.449385|36.858105| |1.924380|1.952392|2.042539|2.112873|2.077678|1.979822|2.093758|2.138038|2.931255|0.059019|2.097686|3.256376|2.456381|3.964390|2.803319|0.072143|3.558889|5.437476|3.217118|2.782199|2.861965|2.630235|3.007591|0.057851|0.057648|2.172609|2.293763|5.398502|9.301209|7.806396|0.169519|7.961720|12.496095|36.858105| |2.141671|2.201754|2.353543|2.455552|2.373701|2.213695|2.398970|2.496284|3.456330|0.069994|2.446268|3.895022|2.993457|4.768785|3.495304|0.086915|4.698157|7.292836|4.033379|3.470947|3.642920|3.221542|3.553240|0.067121|0.067873|2.543146|2.729880|7.770981|11.926322|13.030069|0.254593|8.075240|8.172520|12.943904|53.358707| |2.330740|2.451966|2.646147|2.705670|2.545663|2.367183|2.511826|2.638537|3.777081|0.077228|2.530309|3.992016|3.140045|5.121561|3.577303|0.086124|4.619946|6.916528|4.039258|3.667045|4.162801|3.692142|3.913351|0.073788|0.075008|2.695464|2.855810|6.567264|10.440733|7.943968|0.194348|5.257335|5.258009|7.527955|19.493052|36.858105| |2.517130|2.701618|3.010162|3.099094|2.830291|2.563691|2.795455|3.020046|4.422637|0.091906|2.889290|4.647992|3.783464|6.178484|4.328368|0.099465|5.600526|8.075260|4.723299|4.506581|5.495930|4.571025|4.614422|0.084931|0.088747|3.109850|3.348596|6.839578|10.261137|7.035354|0.190769|4.555960|4.221286|5.250674|11.595735|15.818462|73.516695| |2.261974|2.392714|2.513515|2.481123|2.335454|2.235724|2.243666|2.314053|3.357355|0.068518|2.182717|3.318374|2.584186|4.349671|2.825610|0.069506|3.390515|4.951596|3.136238|2.934653|3.376377|3.190728|3.467541|0.067102|0.067045|2.344866|2.409869|4.393543|7.645055|5.001153|0.127355|3.976997|4.353961|6.393134|10.557797|12.386794|14.325021|36.858105| |2.365957|2.572349|2.718032|2.607307|2.392006|2.289918|2.254669|2.344824|3.497664|0.072278|2.185930|3.280587|2.593310|4.480224|2.771741|0.067526|3.186897|4.566798|3.022604|2.942182|3.549543|3.451529|3.698348|0.072066|0.072058|2.420033|2.446811|3.815448|6.687570|4.023638|0.106318|3.230703|3.383052|4.471164|7.314871|8.143864|13.126459|14.589119|97.533100| |1.957149|2.057655|2.149093|2.124382|2.013864|1.936868|1.954935|2.017377|2.896179|0.059461|1.935828|2.936555|2.290887|3.871828|2.536248|0.063722|2.985384|4.525440|2.947593|2.681040|3.003232|2.951446|3.269355|0.064328|0.062450|2.235177|2.252466|4.108194|7.687171|4.501986|0.109296|3.870276|4.331301|6.623165|9.124758|8.075227|10.242671|14.438773|20.138654|97.533100| |2.377242|2.466166|2.522166|2.483183|2.390779|2.341296|2.271245|2.283933|3.280514|0.065650|2.121429|3.165775|2.397992|4.023080|2.557185|0.063654|3.061162|4.285778|2.699333|2.566755|2.881291|2.682686|3.013462|0.058357|0.059174|2.061705|2.143238|3.688882|6.248276|4.441867|0.119105|3.740302|4.367198|6.116332|8.848021|8.114890|10.575242|14.432067|20.109319|20.052553|97.533100| |17.723885|8.879370|5.628469|4.981951|5.656809|8.964034|4.038982|3.407495|5.010697|0.089382|2.690711|3.319677|2.292148|4.097945|2.045371|0.052195|2.118215|2.563059|1.745518|1.893823|2.058498|1.852558|2.323989|0.044563|0.049578|1.600226|1.725269|1.829893|2.981588|1.952354|0.059464|1.749901|1.766080|1.827212|2.723095|2.162138|4.077944|2.134547|5.006826|4.195593|5.109224|0.500000| |8.879802|17.717658|8.982296|5.690321|4.952737|5.636600|3.625215|3.418599|5.627950|0.106103|2.720303|3.422785|2.479059|4.605314|2.199428|0.055081|2.230421|2.729261|1.896014|2.101027|2.380939|2.172706|2.707456|0.052038|0.058539|1.807532|1.919350|1.937770|3.185720|2.012148|0.060408|1.762855|1.759959|1.869468|2.841917|2.337996|4.534314|2.336191|5.735137|4.553368|5.423946|0.215649|0.500000| |5.597703|8.905859|17.708325|8.819096|5.567633|4.883838|4.296066|4.600319|9.112287|0.186426|3.573484|4.497240|3.395018|6.657484|2.869260|0.069759|2.794387|3.342376|2.361832|2.753636|3.247586|2.874322|3.564932|0.066966|0.079359|2.322125|2.501833|2.293304|3.729223|2.302018|0.069492|1.958289|1.893729|2.017741|3.178767|2.663235|5.455932|2.547252|6.338558|4.918912|5.636788|0.123752|0.215183|0.500000| |8.934026|5.612433|4.884050|5.610880|8.842075|17.710851|6.456532|4.556170|5.904499|0.098914|3.447690|4.074133|2.648510|4.581867|2.313636|0.059636|2.409395|2.818218|1.887795|2.050916|2.154038|1.882376|2.374082|0.044944|0.050522|1.674846|1.855756|1.977844|3.159282|2.132883|0.066698|1.922926|1.909197|1.914526|2.870536|2.215154|4.192388|2.095721|4.759801|4.126108|4.985063|0.215388|0.123969|0.106340|0.500000| |4.339266|3.798607|4.131074|5.742414|8.449881|6.220382|17.773965|8.812697|7.948195|0.126870|6.459840|6.658539|3.792966|6.224538|3.110116|0.081330|3.156150|3.468866|2.305582|2.561075|2.556821|2.141418|2.734836|0.050694|0.058373|1.989033|2.307138|2.322492|3.614573|2.459873|0.079113|2.203090|2.084519|2.030598|3.117495|2.348238|4.553652|2.100951|4.684347|4.162684|4.824038|0.102251|0.086931|0.096611|0.175456|0.500000| |2.909375|2.999437|3.655318|4.743138|4.430200|3.359087|5.755117|8.916113|9.395803|0.195742|17.623670|12.560480|7.274978|13.328448|4.666778|0.123434|3.841123|4.138150|2.979677|3.689219|3.493311|2.824532|3.815381|0.068299|0.084780|2.850498|3.545527|2.561410|4.014606|2.470132|0.076760|2.161293|1.946263|1.928343|3.038610|2.323905|4.716410|2.030912|4.627509|4.092574|4.407327|0.069769|0.072616|0.097479|0.085462|0.140817|0.500000| |2.943697|2.874201|3.332002|4.382484|4.663958|3.570356|6.996960|9.000487|7.695524|0.140942|17.629752|12.568559|5.811452|8.990502|4.275661|0.116983|3.885809|4.100729|2.811070|3.259411|3.029602|2.465380|3.247165|0.058941|0.069837|2.455225|3.012151|2.580768|3.986930|2.583813|0.082226|2.302847|2.075861|2.006480|3.129463|2.332730|4.626049|2.025698|4.513173|4.079733|4.477085|0.071262|0.069050|0.085269|0.094826|0.197273|0.302890|0.500000| |2.696827|2.702526|3.146990|3.941706|3.938113|3.132698|5.087423|6.397667|6.839567|0.133483|9.023703|26.076876|9.425163|10.876791|7.506601|0.197817|7.170508|6.371910|4.062932|4.692997|4.065631|3.079916|3.891263|0.068999|0.081151|3.003036|3.894131|3.727976|5.436417|3.682004|0.122626|3.136985|2.682578|2.565436|4.173661|3.055763|6.206436|2.502362|5.449707|4.989189|5.412058|0.065875|0.066057|0.082891|0.082241|0.135543|0.182094|0.228821|0.500000| |2.308177|2.338905|2.643215|3.054109|2.992806|2.558467|3.423915|3.872523|4.831532|0.097847|4.381256|8.674937|6.272135|8.086034|8.709003|0.223971|17.577201|12.285909|5.992448|5.696364|4.632210|3.478162|4.158773|0.073878|0.082078|3.267129|4.163182|6.446802|8.277400|6.209114|0.217869|4.916460|3.749460|3.489676|5.989699|4.090664|8.205052|3.087275|6.414698|6.194368|6.478101|0.057813|0.058910|0.071438|0.067706|0.091900|0.104770|0.114223|0.227317|0.500000| |2.671341|2.790501|3.243545|3.712293|3.451066|2.905712|3.751446|4.343468|5.888094|0.121128|4.476250|8.500453|6.958726|9.425569|8.735515|0.174805|17.603122|12.298476|6.123916|6.536819|6.393951|4.345380|4.805858|0.084049|0.095474|3.514617|4.356357|6.856995|8.744109|6.579270|0.234498|4.499368|3.701509|3.777913|7.080907|5.444462|12.620960|3.877184|8.248729|7.347629|7.898071|0.065835|0.069971|0.088799|0.074465|0.095176|0.107700|0.108668|0.188047|0.300859|0.500000| |1.765902|1.848426|2.081848|2.258880|2.116473|1.867391|2.288798|2.607559|3.522724|0.076308|2.933273|5.112164|4.521832|7.033910|6.960594|0.208467|6.410967|12.339750|17.526527|8.757765|5.498140|4.745598|6.031923|0.105775|0.107763|5.653489|7.098637|6.282760|10.505663|4.325291|0.114319|3.745528|2.926748|2.914346|4.746067|3.380236|6.714711|2.712572|5.847528|5.845286|5.370715|0.045010|0.048207|0.059067|0.049100|0.060625|0.079081|0.075509|0.106907|0.152826|0.136618|0.500000| |1.821551|1.936902|2.182113|2.307399|2.122043|1.890327|2.224069|2.512902|3.527856|0.077026|2.692823|4.543428|4.061895|6.657450|5.725467|0.144252|5.832624|12.492008|17.673351|8.576753|7.044469|6.686996|7.275731|0.128221|0.121770|5.980504|6.222818|7.645185|14.679452|4.764153|0.119301|3.856843|3.107708|3.306770|5.589993|4.190014|8.550876|3.313250|7.232392|7.183120|6.250118|0.046489|0.051036|0.062875|0.049232|0.058041|0.072516|0.068202|0.093142|0.129660|0.140437|0.302950|0.500000| |2.423025|2.669449|3.148947|3.314832|2.878603|2.492081|2.928163|3.414057|5.153619|0.115856|3.442087|5.816384|5.517511|9.408948|6.694741|0.137815|6.933398|9.701372|7.114987|8.720644|17.602310|9.036331|7.644164|0.127227|0.144689|4.880834|5.485111|5.964082|9.211938|4.761348|0.134189|3.482820|3.020786|3.353465|6.115816|5.422406|14.194510|4.151498|9.782389|8.015242|7.744150|0.060260|0.069416|0.092780|0.062789|0.072994|0.091065|0.082437|0.113233|0.138663|0.219304|0.141539|0.191586|0.500000| |2.521228|2.836433|3.495309|3.723933|3.089920|2.598729|3.165850|3.904584|6.187649|0.152683|4.016650|6.616543|7.015018|14.731265|6.905088|0.142614|5.510352|6.794361|5.519172|8.801935|17.620623|8.941280|9.438962|0.145107|0.208949|5.649260|6.710993|4.050976|6.469851|3.446450|0.100359|2.734098|2.415213|2.588190|4.395553|3.697187|8.536262|3.101894|7.467414|6.136764|6.127879|0.061845|0.073180|0.106288|0.064571|0.077176|0.111988|0.092138|0.117995|0.118718|0.163669|0.123090|0.140807|0.303624|0.500000| |1.884387|2.065564|2.352946|2.396871|2.128028|1.905373|2.156190|2.447655|3.620226|0.081443|2.528773|4.044912|3.674270|6.670921|4.409646|0.106414|4.161772|6.773789|6.473685|6.618679|8.703641|17.636844|12.425384|0.223134|0.181086|6.997436|5.716323|4.586286|8.653810|3.510007|0.091698|2.867574|2.521250|2.803756|4.648491|3.859698|8.205795|3.329315|7.949467|7.144370|6.175090|0.048020|0.055319|0.070274|0.048847|0.055142|0.069847|0.062798|0.079162|0.094301|0.113722|0.141659|0.232613|0.213623|0.173206|0.500000| |2.111514|2.385060|2.774894|2.746504|2.352332|2.097695|2.322996|2.659585|4.124700|0.095377|2.659524|4.111185|3.743286|7.259058|4.036792|0.094990|3.734948|5.409475|4.584664|5.443671|8.797572|17.630698|12.346494|0.223229|0.223085|5.583634|4.875488|3.660477|6.498091|3.068841|0.083541|2.503292|2.276808|2.544588|4.201180|3.645096|7.998941|3.289303|8.369546|6.788672|6.210493|0.053362|0.064358|0.085942|0.052865|0.058223|0.074300|0.064794|0.078184|0.085570|0.108665|0.104711|0.139971|0.213271|0.217674|0.301563|0.500000| |1.651516|1.776947|2.014303|2.103897|1.906689|1.698531|1.991336|2.279698|3.247690|0.073059|2.481494|3.981093|3.623691|6.588148|4.425770|0.119138|3.737082|5.910746|6.436975|6.658732|5.736183|7.015084|12.443354|0.223052|0.181142|17.619659|8.719260|3.713022|6.874680|2.882614|0.076767|2.515757|2.165550|2.272528|3.596472|2.766404|5.570865|2.404037|5.520137|5.249448|4.711172|0.042228|0.047256|0.059214|0.044104|0.051785|0.070422|0.062650|0.077597|0.089051|0.094104|0.175097|0.198270|0.129151|0.131994|0.212821|0.144143|0.500000| |1.647468|1.781130|2.035056|2.128509|1.913604|1.694677|2.004585|2.323234|3.326367|0.076156|2.561011|3.985518|3.638100|7.049998|4.037669|0.110697|3.232579|4.664856|4.544685|5.448956|4.869512|5.579656|12.357855|0.223814|0.222725|17.625202|8.770046|2.921007|5.203156|2.405780|0.065980|2.124465|1.864017|1.935793|3.026046|2.339495|4.713167|2.075119|4.825781|4.478184|4.161993|0.042010|0.047342|0.060256|0.043879|0.051937|0.075230|0.064333|0.075434|0.078914|0.082905|0.126245|0.125904|0.107530|0.126923|0.143987|0.126411|0.301146|0.500000| |1.998433|2.159717|2.548990|2.785396|2.468080|2.103403|2.668332|3.269061|4.642551|0.109788|3.816493|6.314762|6.633941|13.798905|6.943255|0.182945|4.547929|5.843864|5.474735|8.847408|6.715957|5.647896|9.429621|0.144951|0.208817|8.902003|17.585845|3.359468|5.543748|2.801529|0.080255|2.397183|2.071309|2.120521|3.411781|2.644519|5.520633|2.265398|5.228697|4.719656|4.598016|0.049961|0.055975|0.074741|0.053924|0.068007|0.114596|0.091577|0.112387|0.107686|0.114275|0.145110|0.130893|0.137758|0.194414|0.131641|0.127138|0.172950|0.215876|0.500000| |1.774031|1.879730|2.156801|2.350751|2.157463|1.874800|2.349769|2.771665|3.785400|0.085125|3.243588|5.493061|5.218905|9.005148|6.740431|0.212212|4.699830|6.634241|6.959046|8.775958|5.483345|4.874473|7.635405|0.127067|0.144604|8.991821|17.559702|3.727461|6.263359|2.980010|0.083263|2.615012|2.196490|2.210112|3.517264|2.629657|5.330409|2.224973|5.001871|4.734860|4.498978|0.044910|0.048956|0.062080|0.048882|0.061509|0.093248|0.081768|0.105562|0.114475|0.109758|0.219894|0.158419|0.122818|0.137656|0.128552|0.107509|0.213030|0.212231|0.303455|0.500000| |1.710520|1.730914|1.847181|1.963612|1.935357|1.798850|2.031319|2.124217|2.831690|0.057677|2.195683|3.531088|2.678940|4.202879|3.266252|0.088467|4.210699|7.144584|4.093861|3.207632|2.987873|2.710619|3.199732|0.060903|0.060391|2.451707|2.648185|7.473456|13.033732|8.831513|0.175575|17.599316|8.836838|6.854967|9.037336|4.680121|7.326641|3.681987|6.859300|8.450040|7.577513|0.044729|0.045559|0.050814|0.048572|0.055438|0.056333|0.059057|0.079038|0.120380|0.110019|0.109479|0.113633|0.092780|0.073171|0.081745|0.069236|0.072930|0.060412|0.066035|0.073794|0.500000| |1.854197|1.843648|1.964119|2.134012|2.152184|1.990669|2.306361|2.381116|3.084280|0.061669|2.472849|4.003501|2.905376|4.433036|3.472756|0.095097|4.674649|6.932621|3.790224|3.151032|2.889408|2.518123|3.012768|0.056673|0.058084|2.315161|2.591372|6.169657|9.081686|8.711833|0.221655|17.596726|8.675180|5.676692|7.945969|4.268661|6.954196|3.339580|6.323788|7.207526|7.252596|0.048313|0.047888|0.053101|0.054303|0.063970|0.062028|0.067641|0.093168|0.148217|0.122058|0.102242|0.098396|0.089263|0.072831|0.073146|0.064594|0.066911|0.057531|0.066086|0.072611|0.301170|0.500000| |1.691136|1.683450|1.747899|1.833562|1.843927|1.765536|1.897967|1.918070|2.558351|0.051193|1.920811|2.959160|2.177863|3.487624|2.476359|0.066423|3.067210|4.597826|2.784051|2.394067|2.342696|2.157890|2.573652|0.049690|0.049589|1.915997|2.039397|4.244408|7.336235|5.649230|0.133914|8.704125|17.602735|8.750180|7.904652|4.180177|6.153433|3.699229|6.660784|8.664374|8.394953|0.044954|0.044624|0.047524|0.048338|0.052352|0.049088|0.052272|0.065835|0.088682|0.085787|0.073873|0.077533|0.072818|0.059649|0.063535|0.057227|0.055795|0.048221|0.052549|0.056160|0.217966|0.196227|0.500000| |1.978340|1.947803|2.018589|2.141712|2.182788|2.089189|2.248768|2.242088|2.965992|0.058432|2.208924|3.407280|2.455421|3.878531|2.745243|0.072324|3.528476|4.965083|2.885771|2.560733|2.533828|2.259320|2.668297|0.050908|0.052036|1.967481|2.137940|4.448379|7.030829|6.767073|0.180399|8.794912|17.559932|8.852425|9.415892|4.872335|7.148058|4.120610|7.324106|8.796686|9.881251|0.052315|0.051049|0.054121|0.057332|0.062152|0.055391|0.060115|0.076951|0.104023|0.102634|0.075031|0.078165|0.080141|0.065424|0.065033|0.060222|0.056247|0.049330|0.055783|0.058252|0.173918|0.216214|0.301520|0.500000| |1.763784|1.802350|1.888210|1.938541|1.891065|1.802446|1.904327|1.959015|2.700822|0.054929|1.938289|3.001276|2.294271|3.744969|2.637374|0.068475|3.247088|5.145588|3.170505|2.693763|2.766216|2.620326|3.007593|0.058468|0.057072|2.176312|2.253896|5.146921|9.808483|6.359381|0.136351|6.756486|8.780779|17.600654|12.330243|6.380089|8.326918|5.859509|9.605048|15.824101|11.786059|0.046654|0.048297|0.052318|0.048351|0.051243|0.050081|0.051462|0.065008|0.087341|0.093458|0.080454|0.093245|0.088766|0.068801|0.079227|0.070339|0.064136|0.053932|0.057399|0.060517|0.189973|0.136960|0.217913|0.174082|0.500000| 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