Version2.0 2020-07-20T08:26:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](C)[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]4N1C(=O)c5c4cccc5 C63383930 RHF 6-31G(d) (6D,7F) CC[C@H](C)[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]4N1C(=O)c5c4cccc5 C01[X(C29H35N4O3)] 207 C1 610 CC[C@@H]([C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]2N1C(=O)c1c2cccc1)C CC[C@@H]([C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]2N1C(=O)c1c2cccc1)C CC[C@H](C)[C@H](NC(=O)[C@@H]1CC2=C3C=CC=CC3=[NH+][C@@H]2[C@@H]4N1C(=O)c5ccccc45)C(=O)NCC(C)C InChIKey=VDHAAIJGYXIZHG-QBYJLNLHSA-O InChI=1S/C29H34N4O3/c1-5-17(4)24(28(35)30-15-16(2)3)32-27(34)23-14-21-18-10-8-9-13-22(18)31-25(21)26-19-11-6-7-12-20(19)29(36)33(23)26/h6-13,16-17,23-26H,5,14-15H2,1-4H3,(H,30,35)(H,32,34)/p+1/t17-,23-,24-,25-,26+/m0/s1 InChI=1/C29H34N4O3/c1-5-17(4)24(28(35)30-15-16(2)3)32-27(34)23-14-21-18-10-8-9-13-22(18)31-25(21)26-19-11-6-7-12-20(19)29(36)33(23)26/h6-13,16-17,23-26H,5,14-15H2,1-4H3,(H,30,35)(H,32,34)/p+1/t17-,23-,24-,25-,26+/m0/s1/fC29H35N4O3/h30-32H/q+1 CC[C@H](C)[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]4N1C(=O)c5c4cccc5 C01[X(C29H35N4O3)] 207 C01 610 CC[C@@H]([C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]2N1C(=O)c1c2cccc1)C CC[C@@H]([C@@H]([C]([NH]CC(C)C)=O)NC(=O)[C@@H]1CC2=[C]3[CH]=[CH][CH]=[CH][C]3[NH][C@@H]2[C@@H]2N1C(=O)[C]1[C]2[CH][CH][CH][CH]1)C CC[C@H](C)[C@H](NC(=O)[C@@H]1CC2=C3C=CC=C[C]3N[C@@H]2[C@H]4[C]5[CH][CH][CH][CH][C]5C(=O)N14)C(=O)NCC(C)C InChIKey=TUYRJVBWOPVSHM-QBYJLNLHSA-N InChI=1S/C29H35N4O3/c1-5-17(4)24(28(35)30-15-16(2)3)32-27(34)23-14-21-18-10-8-9-13-22(18)31-25(21)26-19-11-6-7-12-20(19)29(36)33(23)26/h6-13,16-17,23-26,31H,5,14-15H2,1-4H3,(H,30,35)(H,32,34)/t17-,23-,24-,25-,26+/m0/s1 InChI=1/C29H35N4O3/c1-5-17(4)24(28(35)30-15-16(2)3)32-27(34)23-14-21-18-10-8-9-13-22(18)31-25(21)26-19-11-6-7-12-20(19)29(36)33(23)26/h6-13,16-17,23-26,31H,5,14-15H2,1-4H3,(H,30,35)(H,32,34)/t17-,23-,24-,25-,26+/m0/s1/f/h30,32H 4022.9590680225 -1560.835562 1-A 18955.2280 130 480 610 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.63291 -20.63002 -20.61941 -15.75930 -15.70175 -15.68561 -15.67581 -11.46884 -11.45326 -11.45192 -11.44106 -11.43784 -11.42926 -11.40821 -11.40787 -11.40125 -11.38685 -11.38594 -11.37371 -11.37368 -11.36903 -11.36419 -11.35664 -11.34485 -11.34174 -11.34072 -11.34037 -11.33749 -11.33167 -11.32825 -11.31049 -11.30603 -11.29188 -11.28916 -11.28907 -11.28733 -1.50690 -1.49794 -1.48263 -1.46745 -1.39219 -1.34438 -1.32797 -1.29239 -1.27382 -1.25218 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0.82035 0.82967 0.83193 0.84049 0.84259 0.85220 0.85583 0.86450 0.87098 0.87319 0.88274 0.89096 0.89381 0.89645 0.90462 0.90952 0.91504 0.91817 0.93199 0.93619 0.93801 0.94400 0.95376 0.95724 0.96559 0.96794 0.97225 0.97972 0.98467 0.98994 0.99430 0.99755 1.00554 1.00745 1.01044 1.01774 1.01925 1.02338 1.03098 1.03370 1.03488 1.04077 1.04942 1.05354 1.05999 1.06290 1.06718 1.07632 1.08045 1.08558 1.08684 1.08789 1.09211 1.09531 1.10000 1.10471 1.10930 1.11041 1.11259 1.11949 1.12071 1.12441 1.12956 1.13515 1.13759 1.14335 1.14798 1.15083 1.15447 1.15891 1.16726 1.16910 1.17417 1.17930 1.18248 1.18769 1.19255 1.19580 1.20194 1.20557 1.20887 1.22194 1.22791 1.23697 1.24322 1.24953 1.26559 1.26847 1.27422 1.28355 1.28564 1.29787 1.31531 1.32772 1.33285 1.34188 1.35221 1.35934 1.37545 1.38373 1.39478 1.39911 1.40677 1.41604 1.43165 1.44476 1.45579 1.46858 1.47808 1.48632 1.49295 1.50170 1.51418 1.52448 1.53367 1.54682 1.55574 1.56171 1.57664 1.58175 1.58664 1.59295 1.60064 1.60677 1.61643 1.61979 1.62267 1.62595 1.63174 1.64649 1.65581 1.65789 1.66317 1.67264 1.67631 1.68745 1.70805 1.71229 1.71512 1.72611 1.73172 1.75359 1.76056 1.77910 1.79441 1.81670 1.82171 1.84370 1.85429 1.86139 1.87629 1.88757 1.89738 1.90253 1.91528 1.92350 1.93501 1.95123 1.96017 1.96587 1.98354 1.98550 1.99438 1.99801 2.00096 2.00533 2.01615 2.02099 2.02412 2.03386 2.03621 2.04030 2.04675 2.05505 2.07796 2.07939 2.08181 2.09152 2.10404 2.10662 2.11147 2.12389 2.13256 2.13608 2.14012 2.15099 2.15167 2.15634 2.16109 2.17922 2.18106 2.18436 2.19437 2.19598 2.19655 2.20355 2.21383 2.22066 2.23083 2.23677 2.24986 2.25440 2.26868 2.27233 2.28785 2.29397 2.29721 2.30751 2.31063 2.31333 2.31711 2.32128 2.32601 2.33342 2.33700 2.34356 2.34966 2.35352 2.36079 2.37262 2.38444 2.40063 2.40669 2.41562 2.42170 2.42325 2.42966 2.45015 2.45046 2.45258 2.48154 2.48765 2.49266 2.50238 2.51454 2.51759 2.52320 2.53250 2.53378 2.54018 2.55029 2.56234 2.56696 2.57021 2.59022 2.60473 2.61247 2.62929 2.63735 2.64267 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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|A|A|A|A|A|A|A|A|A|A|A|A| 10.3270 22.8313 29.1076 34.8914 38.6636 45.2064 47.2311 61.2364 63.0440 70.6107 79.8304 94.8958 102.2165 127.5077 129.3562 140.7802 150.3418 158.5797 184.9798 209.2910 225.5252 233.4104 235.9992 245.5898 262.4850 267.7667 271.9264 276.6150 279.0269 307.2942 320.9765 321.8986 340.8633 356.2315 361.7935 380.0342 403.1300 424.0148 442.1325 448.5296 455.7148 465.8289 474.1835 499.6198 512.3549 532.0790 537.9816 542.1057 555.4095 574.6607 584.0371 587.0358 589.7666 604.4065 619.5318 659.1267 671.8632 707.3722 715.7708 749.9185 756.9167 775.9157 803.1197 827.1168 834.0175 844.5199 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3.6422 8.3222 8.6871 12.2931 12.1727 12.0257 18.1461 19.7015 30.0989 6.4374 6.4347 6.2602 6.2860 6.4588 6.3416 6.4070 6.5631 6.5561 6.7713 6.7306 6.8741 6.9004 6.9553 6.9413 6.9772 6.9907 6.9107 7.0251 7.0283 7.0306 7.0616 7.1190 7.1544 7.2479 7.3560 7.3724 7.4334 7.4617 7.5098 7.5083 7.5944 9.5380 9.5944 9.5712 0.4232 0.5734 1.7777 0.0442 2.1463 0.3263 1.2643 1.2387 0.5501 3.9240 12.4468 4.9630 0.7176 0.7003 1.1068 9.4592 5.6803 1.7770 1.7601 5.0132 1.1428 0.9395 4.3132 2.1195 0.6456 3.9113 2.5456 5.3973 1.1008 1.5465 10.7452 8.5515 5.3531 9.8775 7.7866 2.1839 34.1007 3.3272 5.6707 0.6921 13.7169 51.4594 6.1207 19.6820 39.7653 34.2911 12.6358 6.3965 34.9553 127.9418 5.5691 8.4190 23.1606 11.1900 6.2401 6.8686 19.0349 20.0961 7.4938 4.0809 3.5918 49.8537 15.4328 3.1426 1.8439 51.3022 28.4379 114.0992 1.8550 16.4894 3.2098 3.4509 2.7386 6.4731 1.9174 0.6518 3.1542 15.4152 11.7086 7.4471 2.1963 4.4453 2.1390 0.9722 5.3668 0.8212 39.6242 3.4965 1.0768 2.0398 0.8911 0.7104 0.9466 4.2010 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0.6496 0.8147 0.3938 0.7360 0.8288 0.8417 0.5086 0.3678 0.8462 0.6147 0.2781 0.1852 0.5500 0.6104 0.8309 0.7313 0.3694 0.6652 0.3527 0.8036 0.7321 0.5040 0.8490 0.6798 0.2249 0.2537 0.8489 0.3304 0.4016 0.3938 0.4609 0.8563 0.7502 0.8342 0.6200 0.4463 0.6787 0.2359 0.8545 0.6196 0.3625 0.8317 0.8515 0.7238 0.7667 0.6100 0.3913 0.8325 0.8120 0.8570 0.3836 0.2449 0.8551 0.8569 0.4116 0.6663 0.7527 0.3575 0.1767 0.3876 0.6996 0.8052 0.8535 0.7198 0.7137 0.4738 0.8453 0.3283 0.3558 0.6179 0.8233 0.4911 0.7593 0.4551 0.3072 0.7394 0.5506 0.6853 0.5123 0.7196 0.8543 0.4176 0.4609 0.8493 0.5434 0.8317 0.4933 0.7946 0.4158 0.5992 0.2351 0.2084 0.6412 0.8251 0.6876 0.1384 0.4798 0.4317 0.6211 0.6395 0.6252 0.8057 0.6634 0.5453 0.8307 0.7068 0.3200 0.8318 0.4804 0.6423 0.7441 0.6356 0.8562 0.7694 0.8569 0.4505 0.5902 0.2443 0.8342 0.5298 0.6953 0.8450 0.8562 0.3691 0.6145 0.7429 0.8463 0.3061 0.6496 0.3496 0.8256 0.2595 0.8256 0.4691 0.6725 0.8516 0.8301 0.8251 0.8478 0.8281 0.7682 0.8447 0.8540 0.6619 0.8382 0.8003 0.5478 0.7835 0.8349 0.6397 0.5997 0.6402 0.2580 0.6224 0.5067 0.5389 0.0542 0.2445 0.8430 0.0896 0.2180 0.3004 0.4473 0.4604 0.8278 0.5463 0.7654 0.5480 0.8217 0.8382 0.7063 0.8200 0.5569 0.3466 0.2958 0.7357 0.7248 0.6680 0.7785 0.7685 0.5547 0.8354 0.2571 0.2780 0.2351 0.3170 0.4849 0.2543 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 70 71 6 6 6 1 6 6 1 6 8 7 6 6 6 6 7 6 8 6 1 6 6 6 6 6 6 6 6 7 1 6 1 6 1 7 6 8 6 6 6 6 6 6 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 1.00783 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 11667.6813 23564.6015 31829.1253 0.99998 -0.00567 0.00139 0.00566 0.99995 0.00794 -0.00143 -0.00793 0.99997 1 0.00742 0.00368 0.00272 0.15468 0.07659 0.05670 14.86 32.85 41.88 50.20 55.63 65.04 67.95 88.11 90.71 101.59 114.86 136.53 147.07 183.46 186.11 202.55 216.31 228.16 266.14 301.12 324.48 335.83 339.55 353.35 377.66 385.26 391.24 397.99 401.46 442.13 461.81 463.14 490.43 512.54 520.54 546.78 580.01 610.06 636.13 645.33 655.67 670.22 682.24 718.84 737.16 765.54 774.04 779.97 799.11 826.81 840.30 844.61 848.54 869.61 891.37 948.34 966.66 1017.75 1029.83 1078.97 1089.03 1116.37 1155.51 1190.04 1199.97 1215.08 1217.08 1228.46 1251.52 1257.24 1268.08 1274.63 1276.80 1319.86 1366.75 1376.21 1380.80 1414.56 1422.52 1446.53 1453.91 1468.65 1479.14 1484.71 1505.19 1508.63 1526.43 1533.91 1535.60 1562.14 1577.80 1589.74 1606.01 1609.05 1616.24 1630.30 1644.04 1648.25 1648.62 1663.19 1683.55 1695.43 1738.50 1753.40 1766.44 1780.60 1786.96 1814.44 1839.60 1856.66 1858.60 1860.88 1878.75 1880.63 1886.33 1907.18 1918.72 1930.76 1936.15 1962.07 1974.35 1987.26 2009.12 2011.85 2021.77 2041.52 2065.60 2069.45 2089.14 2104.07 2110.11 2118.89 2138.03 2161.20 2172.20 2173.43 2188.14 2198.07 2208.48 2220.46 2227.10 2246.73 2256.69 2261.90 2266.42 2269.78 2288.43 2304.46 2312.28 2347.28 2353.10 2355.28 2356.38 2360.18 2365.64 2368.64 2370.29 2371.43 2374.41 2377.43 2383.15 2390.17 2476.50 2498.00 2505.77 2529.25 2578.41 2609.89 2646.24 2728.62 2806.23 2876.39 4565.40 4595.22 4600.05 4608.64 4619.49 4621.74 4624.49 4637.66 4641.52 4662.32 4669.41 4687.02 4696.16 4708.94 4710.87 4714.87 4719.45 4722.41 4729.63 4733.66 4766.01 4775.94 4779.68 4782.00 4832.51 4866.14 4873.47 4885.20 4898.65 4902.86 4906.06 4925.80 5575.44 5583.81 5584.90 0.648847 0.680601 0.681545 0.582833 -1560.186714 -1560.154961 -1560.154017 -1560.252729 3.310817D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE CC[C@H](C)[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]4N1C(=O)c5c4cccc5 C63383930 RHF 6-31G(d) (6D,10F) C1 487.270916 |X|Y|Z| 110.181401 75.251425 33.947730 65.535697 20 6 7 18 2 |36.858105| |12.448161|36.858105| |7.290605|12.365854|36.858105| |6.786329|8.948693|17.530500|0.500000| |4.848159|7.561951|12.417739|0.248681|36.858105| |5.897772|7.273483|12.279760|0.247650|7.563476|36.858105| |4.499475|5.434200|8.902113|0.212023|7.334494|17.610099|0.500000| |5.934682|5.726722|7.255580|0.193010|4.860851|12.342853|0.251036|36.858105| |5.393386|4.852069|5.337462|0.137895|3.920495|7.918447|0.174240|15.743827|73.516695| |5.185075|4.868102|6.187058|0.197034|4.380111|7.824349|0.199509|14.223108|15.070682|53.358707| |4.261151|3.755517|4.278180|0.133722|3.299433|4.969585|0.130719|7.691484|11.903093|17.822921|36.858105| |3.228396|3.007675|3.483245|0.108760|2.892376|3.972406|0.112963|5.264673|8.349118|10.430503|12.429754|36.858105| |2.783319|2.537777|2.796457|0.085872|2.378701|3.072849|0.085621|3.891193|6.614287|6.805054|7.606515|12.442445|36.858105| |2.859363|2.761573|3.252743|0.097104|2.798918|3.920277|0.117030|4.997559|8.216664|8.536988|7.501155|12.450566|7.540944|36.858105| |5.168802|6.314943|7.694635|0.156736|6.235326|13.185505|0.259872|7.810121|12.668313|7.102763|3.877499|3.210031|2.614607|3.281362|53.358707| |3.869697|4.368683|5.126373|0.116916|4.635210|7.853914|0.206461|6.210974|11.267371|6.074460|3.534065|3.059933|2.518828|3.301336|19.270413|36.858105| |3.336703|3.698966|4.526510|0.109428|4.221863|6.833150|0.214073|5.835032|10.181835|6.127155|3.606355|3.264218|2.644380|3.711782|11.514620|15.839807|73.516695| |3.399449|3.683785|3.892146|0.091279|3.616560|5.064744|0.130101|4.502284|8.898545|4.695199|2.929171|2.562815|2.200236|2.740034|10.676623|12.471615|14.251092|36.858105| |3.598554|3.961305|3.958572|0.091159|3.715206|4.801849|0.118903|4.153813|8.057322|4.385190|2.740288|2.375529|2.061697|2.473219|10.233351|8.802895|10.477083|17.649848|0.500000| |3.288781|3.303801|3.392699|0.082903|3.015063|4.371589|0.110798|4.461595|9.827741|4.698353|3.077272|2.665426|2.330068|2.858988|7.925384|7.676605|11.004082|12.241690|0.244378|36.858105| |2.746003|2.758010|2.928820|0.073853|2.660652|3.756405|0.101214|3.942100|8.410288|4.383436|2.961031|2.676261|2.355338|2.999490|6.195339|6.157076|10.850260|7.691724|0.156457|12.797053|36.858105| |2.600265|2.557304|2.749968|0.071359|2.469791|3.515552|0.096548|3.922889|8.427502|4.540038|3.193518|2.953560|2.619352|3.426922|5.341765|4.953456|9.489950|5.224488|0.115331|7.336409|14.057826|36.858105| |2.758085|2.620511|2.811320|0.074666|2.448399|3.584715|0.097065|4.356867|9.789959|5.180427|3.846890|3.521159|3.148483|4.105128|5.111423|4.368197|8.254459|4.265007|0.099513|5.732991|7.442396|13.228604|36.858105| |2.403163|2.282653|2.457339|0.066730|2.173396|3.025338|0.083871|3.634246|7.609713|4.630786|3.612045|3.528816|3.286490|4.257081|4.157768|3.448648|6.672534|3.321118|0.079820|4.105534|5.145131|7.976371|14.168303|36.858105| |2.073397|2.011674|2.173608|0.058934|1.979182|2.626955|0.074420|2.991845|5.977047|3.853214|2.937456|2.973457|2.796954|3.626061|3.650080|3.075620|6.077284|3.014168|0.072504|3.576934|4.664631|6.913158|7.872099|13.218892|36.858105| |1.995023|1.972711|2.134682|0.057084|1.980672|2.582857|0.073755|2.825060|5.581952|3.559955|2.614837|2.615305|2.417422|3.145379|3.695050|3.215745|6.430177|3.243782|0.076845|3.799975|5.310317|7.682379|6.604009|7.705150|14.015981|36.858105| |2.195060|2.191137|2.368651|0.062098|2.195408|2.928866|0.082907|3.148172|6.344851|3.806643|2.704355|2.612297|2.357448|3.083041|4.366412|3.989402|7.956616|4.193571|0.095465|5.111967|8.454017|13.221398|7.634108|6.815408|8.085189|13.499079|36.858105| |2.097763|2.134975|2.298537|0.059507|2.181468|2.804554|0.079669|2.877132|5.669824|3.449496|2.396039|2.303081|2.073943|2.660370|4.313687|4.029850|7.931678|4.488823|0.101626|5.134916|8.298057|8.419269|5.280226|4.647175|5.249650|7.710468|14.409470|53.358707| |1.897471|1.938766|2.081928|0.054213|2.004532|2.485366|0.071084|2.521731|4.874389|3.079340|2.151557|2.096035|1.907310|2.411279|3.772911|3.427931|6.720065|3.774471|0.088508|4.116788|5.842347|5.916192|4.229365|3.947074|4.637602|6.813005|9.259239|26.035966|0.500000| |2.335295|2.401603|2.559038|0.064756|2.426750|3.156145|0.087778|3.149874|6.287756|3.640398|2.463265|2.297283|2.044908|2.585883|5.149724|5.052587|9.326516|6.412772|0.137358|7.410459|12.714121|8.178262|5.072540|4.098608|4.151451|5.197277|8.348969|17.929874|0.244181|36.858105| |2.203609|2.252006|2.343238|0.059334|2.232870|2.804237|0.076802|2.791889|5.574112|3.256539|2.225986|2.068896|1.870334|2.283064|4.572677|4.248593|7.449097|5.636359|0.130899|6.604701|8.918459|6.239766|4.300382|3.573219|3.621248|4.415948|6.350829|12.404606|0.208473|17.549461|0.500000| |2.387906|2.551590|2.777499|0.069123|2.729434|3.428012|0.097770|3.201216|6.088670|3.679952|2.409884|2.254228|1.973374|2.527006|5.776220|5.987371|11.304587|7.503238|0.156322|6.329756|7.676873|5.551652|4.010747|3.348365|3.361719|4.016510|5.540459|10.222214|0.176849|12.250981|0.244008|36.858105| |2.419229|2.606181|2.930722|0.073452|2.895116|3.698726|0.109781|3.430749|6.364368|3.975609|2.576180|2.444586|2.107392|2.802693|6.030681|6.404238|14.099255|6.606202|0.137903|5.546930|6.836310|5.573082|4.139978|3.511329|3.549651|4.228350|5.677345|9.686543|0.168844|8.828384|0.174037|17.644020|0.500000| |2.731508|2.977378|3.180288|0.076680|3.127856|3.918962|0.107485|3.498798|6.658857|3.888633|2.487217|2.260650|1.967967|2.459286|7.247189|7.726158|11.958196|13.253726|0.260758|7.750390|6.975635|4.813039|3.735795|3.049123|2.920111|3.289068|4.310155|6.959845|0.122559|7.874907|0.193060|13.136424|0.252134|53.358707| |2.480785|2.731421|2.840012|0.068723|2.889733|3.285263|0.089804|2.900800|5.409159|3.317423|2.144563|1.963214|1.734227|2.100688|5.844235|5.355350|8.391348|7.713140|0.212383|5.375546|4.813717|3.637728|2.968195|2.515498|2.443546|2.731899|3.405494|5.499671|0.103246|5.593080|0.156988|8.039329|0.169295|18.808159|36.858105| |2.579804|2.872530|2.892800|0.069288|2.971218|3.222713|0.086038|2.806043|5.194362|3.212515|2.071541|1.877451|1.665770|1.970280|5.761240|4.831269|7.249432|6.679923|0.221839|4.775339|4.016786|3.139756|2.670522|2.277169|2.182811|2.383529|2.888848|4.473175|0.084578|4.308619|0.123368|5.427991|0.125604|11.350238|15.979475|73.516695| |2.100519|2.283370|2.400856|0.059576|2.465205|2.745439|0.077075|2.484984|4.602310|2.929349|1.929520|1.807360|1.612713|1.958069|4.575579|4.122967|7.085636|5.196096|0.135244|4.211849|4.241175|3.378017|2.732226|2.387863|2.401385|2.755989|3.391304|5.765391|0.114597|5.504308|0.158687|8.068489|0.169345|11.386469|12.853766|13.995006|36.858105| |2.064102|2.216213|2.376534|0.059684|2.403390|2.789459|0.079750|2.582676|4.814078|3.059504|2.029687|1.924290|1.712613|2.130344|4.550814|4.267673|7.850993|5.146535|0.123227|4.426719|4.966152|3.991858|3.094813|2.715235|2.798961|3.336116|4.232329|7.804680|0.157994|7.385065|0.196196|12.598438|0.243545|11.249278|8.156620|9.693150|13.789879|36.858105| |1.809560|1.926693|2.067507|0.052842|2.099796|2.384359|0.068866|2.244622|4.151388|2.728221|1.840228|1.777414|1.600215|1.979052|3.730121|3.353521|6.342232|3.785018|0.093298|3.462815|3.984459|3.473785|2.765985|2.522031|2.689227|3.257398|3.922295|7.228839|0.164429|5.667163|0.154296|7.253366|0.177012|7.068777|5.220054|7.121508|7.941251|13.782378|36.858105| |1.650521|1.760885|1.867274|0.047881|1.919294|2.098087|0.060238|1.965268|3.606540|2.413793|1.635255|1.581573|1.436701|1.736398|3.250090|2.811370|5.185214|3.154131|0.081229|2.880702|3.158687|2.796037|2.314350|2.136875|2.262347|2.662262|3.077210|5.298642|0.119205|4.137277|0.118490|4.963686|0.123964|5.620971|4.535813|6.606608|6.967622|8.022263|13.719941|36.858105| |1.669175|1.794040|1.878556|0.047813|1.949576|2.078437|0.059025|1.920714|3.514481|2.347627|1.581128|1.514158|1.375794|1.638392|3.258186|2.767343|4.940815|3.164879|0.084419|2.819230|2.944537|2.557322|2.149901|1.965291|2.035342|2.336586|2.702449|4.499573|0.096777|3.695999|0.108464|4.479849|0.109478|5.633460|5.020203|7.588581|8.042106|6.901299|7.860776|13.689263|36.858105| |1.862587|2.020898|2.101887|0.052723|2.186245|2.330904|0.065475|2.120018|3.888980|2.549397|1.696762|1.602318|1.445574|1.721587|3.762137|3.215806|5.559661|3.832792|0.104433|3.264676|3.274296|2.740566|2.292015|2.051456|2.080286|2.362799|2.793733|4.617853|0.095166|4.054743|0.119817|5.167878|0.120678|7.148193|7.376645|10.904338|13.781692|7.879453|6.766092|7.903731|13.754135|36.858105| |17.578541|8.695225|6.432019|0.161783|4.359899|6.292617|0.129690|7.090097|12.639040|7.675652|4.681067|3.424650|2.941575|3.074068|7.874507|4.361664|6.555365|3.861595|0.112339|3.884849|3.160109|2.986567|3.212431|2.730405|2.307279|2.207586|2.453650|3.157369|0.057599|2.603732|0.067987|2.612721|0.073122|4.082559|2.663366|4.871940|2.236152|2.215303|1.926839|1.740036|1.750362|1.957762|0.500000| |17.544884|8.767657|6.679823|0.202458|4.507114|5.389948|0.120029|5.831653|9.022026|7.826710|4.849469|3.594621|3.098282|3.044783|5.992722|3.442847|5.503221|2.985883|0.085461|2.930957|2.535656|2.463137|2.663807|2.370466|2.042028|1.941413|2.100712|2.704955|0.050161|2.169159|0.056609|2.205545|0.062777|3.348410|2.230501|4.067662|1.926914|1.915355|1.700730|1.552550|1.558777|1.719171|0.301795|0.500000| |17.564593|8.833138|5.401631|0.140890|4.081317|4.498100|0.100677|4.489140|7.669832|5.493373|3.529131|2.778179|2.476882|2.481722|5.769121|3.331888|5.127057|3.073023|0.092235|3.000515|2.506987|2.362971|2.486433|2.186155|1.904717|1.839468|2.016857|2.642852|0.049126|2.161752|0.057538|2.198142|0.061074|3.425716|2.336611|4.383250|1.986191|1.931683|1.701656|1.567527|1.596617|1.781798|0.302730|0.302429|0.500000| |8.827061|17.505085|8.790838|0.174329|6.903315|6.562145|0.139176|5.041957|8.135003|5.601548|3.274915|2.682087|2.294307|2.535174|9.421793|4.724075|6.784590|4.154134|0.130756|3.594783|2.906837|2.619156|2.618434|2.254032|2.001109|1.988875|2.241000|3.018010|0.055873|2.547136|0.066946|2.737072|0.076315|4.497134|3.077847|5.912550|2.505705|2.384251|2.044035|1.872902|1.930278|2.208733|0.209551|0.172604|0.212181|0.500000| |8.916338|17.552140|8.974471|0.217672|7.213104|5.428993|0.124508|4.458406|6.826729|5.566736|3.295238|2.730937|2.347278|2.491307|6.514851|3.579859|5.575335|3.103990|0.092703|2.795455|2.391183|2.235456|2.285286|2.029412|1.812336|1.779604|1.954116|2.605284|0.048818|2.128885|0.055897|2.268057|0.064335|3.552360|2.451872|4.614775|2.085616|2.013530|1.772639|1.639309|1.677539|1.877681|0.173023|0.210042|0.218367|0.307073|0.500000| |4.591611|6.983926|8.797023|0.215056|17.570088|5.491366|0.146804|4.015575|5.932099|5.163076|2.986084|2.647981|2.226468|2.516683|6.413499|3.693311|6.051795|3.050800|0.088205|2.613445|2.324126|2.175116|2.170724|1.953345|1.788144|1.783224|1.953967|2.643427|0.050013|2.140228|0.055403|2.376254|0.069257|3.665496|2.547496|4.713239|2.206466|2.137043|1.892888|1.753831|1.791041|1.994649|0.109985|0.121448|0.111862|0.172900|0.221028|0.500000| |3.997914|5.481874|8.742135|0.213869|17.552568|6.959327|0.223801|4.651055|6.610329|5.943946|3.294665|2.996350|2.431731|2.961881|7.582225|4.507720|7.808648|3.443319|0.094908|2.882753|2.627826|2.473318|2.445611|2.197085|2.021389|2.027975|2.231515|3.016482|0.056823|2.427870|0.061394|2.759184|0.083246|4.179674|2.812528|5.016172|2.455693|2.434310|2.148947|1.956416|1.966289|2.179126|0.103462|0.107411|0.094511|0.140175|0.145552|0.302026|0.500000| |4.457174|6.795932|8.749250|0.173839|17.569006|6.790852|0.179602|4.415057|6.684796|5.181787|2.956313|2.602359|2.175149|2.571666|9.287587|5.094480|7.892469|4.063639|0.119468|3.228420|2.797336|2.529425|2.448262|2.151008|1.973088|2.002392|2.251672|3.099236|0.058127|2.584431|0.066409|2.975581|0.086522|4.801641|3.321493|6.198503|2.764773|2.636055|2.266428|2.077268|2.137714|2.440215|0.115033|0.110237|0.107913|0.203310|0.175056|0.301848|0.301726|0.500000| |4.918431|4.945212|6.799056|0.245775|4.899962|7.562740|0.210143|9.472812|10.875357|26.060871|9.064608|6.952168|4.617271|5.689257|6.618790|4.109122|7.454613|3.170441|0.083246|3.064343|2.874660|2.938835|3.245079|2.961140|2.547463|2.387791|2.537854|3.185774|0.058759|2.462911|0.061484|2.544594|0.076822|3.659580|2.332577|4.037576|2.073213|2.152179|1.931527|1.722272|1.680386|1.820322|0.137748|0.155148|0.107387|0.113239|0.119701|0.118652|0.140031|0.112699|0.500000| |4.497182|3.777901|4.092157|0.131239|3.154209|4.367467|0.112212|6.154056|9.755320|12.473931|17.547082|8.834307|7.153073|5.485840|4.729478|3.102625|5.489231|2.642283|0.070230|2.762529|2.615557|2.770942|3.270914|3.091650|2.563491|2.301906|2.375784|2.906182|0.053745|2.206717|0.056267|2.163241|0.063394|3.069896|1.981222|3.447064|1.782331|1.852295|1.685307|1.514180|1.475021|1.583376|0.132839|0.151299|0.104809|0.089885|0.094135|0.081528|0.085875|0.078075|0.211217|0.500000| |4.115876|3.548996|3.886827|0.114854|3.034266|4.684230|0.120513|7.488727|14.018709|12.634304|17.644987|8.801424|6.782330|6.891324|5.311889|3.659527|6.578147|3.109703|0.080063|3.415217|3.301370|3.644779|4.645038|4.296264|3.319870|2.890183|2.995366|3.536758|0.064104|2.668328|0.066934|2.540220|0.074699|3.554160|2.227269|3.804684|1.999539|2.115246|1.910851|1.687855|1.627020|1.747712|0.132486|0.124269|0.096424|0.088668|0.085415|0.075956|0.083198|0.077713|0.180199|0.303073|0.500000| |3.167996|3.028453|3.582396|0.115934|3.026791|3.907359|0.113732|4.814862|7.279839|9.676206|8.921236|17.481307|8.932021|8.913245|4.209068|2.901877|5.500696|2.414161|0.062760|2.443933|2.432880|2.625246|3.011085|2.991492|2.607284|2.351102|2.361035|2.892214|0.054214|2.130603|0.053518|2.132578|0.064434|2.926412|1.889001|3.229352|1.742814|1.842865|1.707614|1.530358|1.471000|1.555405|0.090256|0.099411|0.075765|0.074077|0.077866|0.077853|0.088522|0.074185|0.209934|0.211704|0.174094|0.500000| |2.711883|2.441303|2.640206|0.079132|2.243975|2.949172|0.081080|3.785975|6.780373|6.235290|6.874472|8.767313|17.523297|6.798164|3.510296|2.519680|4.680958|2.239596|0.058076|2.430015|2.478338|2.807770|3.486059|3.727539|3.087201|2.599477|2.508609|2.957366|0.055279|2.128593|0.054200|2.014786|0.059337|2.721485|1.754882|2.987654|1.633476|1.741494|1.627425|1.456777|1.391446|1.460889|0.081297|0.082363|0.067633|0.062160|0.062227|0.058119|0.063140|0.057842|0.112931|0.176292|0.200372|0.173604|0.500000| |2.432347|2.267470|2.509214|0.076636|2.194067|2.735782|0.077735|3.314673|5.620824|5.597110|5.510131|8.784712|17.566398|6.908669|3.211470|2.303101|4.349337|2.024397|0.052632|2.126192|2.178764|2.427297|2.861577|3.054764|2.690922|2.333957|2.239596|2.693574|0.051057|1.927303|0.049020|1.867164|0.055609|2.507071|1.633310|2.780596|1.535806|1.636931|1.545385|1.391918|1.327679|1.384739|0.070610|0.074319|0.060791|0.057460|0.058923|0.057357|0.063031|0.055952|0.109734|0.144078|0.139272|0.213397|0.301801|0.500000| |2.855877|2.558480|2.762094|0.085959|2.339962|2.929161|0.080252|3.648963|6.158738|6.371965|6.933379|8.746675|17.552581|5.476709|3.387946|2.353766|4.310952|2.073115|0.054714|2.182216|2.166431|2.362951|2.791711|2.856512|2.452920|2.155048|2.124193|2.579222|0.048588|1.889399|0.048470|1.832522|0.053883|2.517401|1.647095|2.839963|1.526005|1.603731|1.496571|1.353987|1.305949|1.375641|0.082513|0.090330|0.071212|0.063637|0.066529|0.061730|0.065714|0.059127|0.122952|0.215577|0.166832|0.213715|0.301472|0.301993|0.500000| |2.775931|2.638846|3.021453|0.087772|2.595625|3.697028|0.107254|4.810451|8.592925|7.513310|6.767856|8.786943|6.848076|17.521972|4.401876|3.337750|6.643854|2.840410|0.070520|3.074419|3.305248|3.946253|5.041381|5.494428|4.425868|3.645754|3.503069|3.971969|0.072716|2.793084|0.068251|2.645365|0.080861|3.463072|2.153105|3.566635|2.011096|2.207657|2.050800|1.786723|1.676836|1.759526|0.084763|0.080761|0.067573|0.068384|0.065641|0.064795|0.075049|0.067555|0.132136|0.140225|0.203220|0.173580|0.202118|0.170582|0.139603|0.500000| |3.007135|2.999721|3.679874|0.108611|3.184337|4.642716|0.146482|5.748211|8.973120|9.498388|6.821400|8.735893|5.472953|17.569142|5.162730|3.857870|8.025103|3.068066|0.075891|3.114151|3.265598|3.665222|4.212442|4.162125|3.609429|3.252223|3.283251|3.906846|0.071802|2.820314|0.068124|2.823752|0.088927|3.739376|2.316384|3.835071|2.148078|2.347729|2.161179|1.880212|1.771742|1.870772|0.089614|0.087577|0.071593|0.076682|0.074437|0.077779|0.095573|0.080999|0.180507|0.139050|0.171573|0.211664|0.139231|0.140738|0.122294|0.301652|0.500000| |2.485526|2.427966|2.832577|0.084600|2.520005|3.295837|0.099502|3.933584|6.517545|6.471558|5.471333|8.795323|6.882364|17.557256|3.842711|2.864180|5.742028|2.425856|0.061201|2.507954|2.661007|3.029085|3.520947|3.779778|3.400015|2.968265|2.834776|3.363821|0.063293|2.362920|0.058353|2.320004|0.071542|3.035988|1.932112|3.219909|1.828530|1.993931|1.881878|1.662112|1.561700|1.624465|0.073008|0.073434|0.060932|0.062342|0.061953|0.063821|0.074820|0.064572|0.127332|0.123092|0.140266|0.214212|0.168096|0.207057|0.140826|0.301575|0.301857|0.500000| |5.879296|7.121914|7.088216|0.144648|5.673370|9.117267|0.181657|6.623728|11.683624|6.284189|3.591454|2.935188|2.456899|2.928698|26.069299|9.505977|10.917700|7.612485|0.238311|5.879889|4.301385|3.651378|3.514662|2.860396|2.504660|2.528210|2.978398|4.026092|0.072276|3.571296|0.091084|3.894160|0.107968|6.856022|4.260526|7.852283|3.263733|3.154537|2.587746|2.289368|2.330088|2.716893|0.187245|0.129931|0.136601|0.245723|0.144661|0.126124|0.133197|0.177314|0.118759|0.092279|0.101855|0.078321|0.067866|0.061407|0.065899|0.081067|0.091053|0.070589|0.500000| |3.830199|3.689651|3.737799|0.091727|3.161619|4.917456|0.119086|5.424666|13.310619|5.476047|3.587176|2.986811|2.593803|3.139658|8.589619|7.338388|10.435799|8.704336|0.202014|17.632232|8.908328|6.822591|6.311106|4.369962|3.591808|3.616685|4.596008|5.855945|0.098027|5.462106|0.136656|4.817109|0.126161|7.666729|4.257040|7.076836|3.436201|3.580022|2.927279|2.488727|2.439226|2.776408|0.131892|0.094203|0.095433|0.109526|0.084834|0.076072|0.082963|0.091896|0.096050|0.089008|0.113625|0.074965|0.075632|0.064602|0.067598|0.094436|0.094106|0.074921|0.181463|0.500000| |3.032915|3.013472|2.986082|0.073516|2.697366|3.627994|0.091966|3.675496|7.886472|4.020300|2.693889|2.352305|2.103892|2.484453|6.364875|5.599432|8.270398|8.831803|0.223446|17.537014|9.075676|5.878890|4.758957|3.604834|3.216926|3.433265|4.483978|6.341394|0.107567|6.656687|0.192231|5.523757|0.128446|9.251497|5.360754|8.801629|4.211898|4.244299|3.355414|2.861385|2.852756|3.332495|0.098293|0.074812|0.079197|0.092293|0.072108|0.066316|0.071055|0.080727|0.073828|0.068702|0.082689|0.060294|0.061148|0.053606|0.055310|0.074035|0.073815|0.061457|0.138243|0.300074|0.500000| |3.196862|2.951093|3.124950|0.082925|2.633903|4.027421|0.104935|5.225813|12.986686|6.014615|4.497812|3.854893|3.409619|4.271181|5.673176|4.624569|8.293108|4.422967|0.105501|6.041316|6.586732|8.729284|17.751521|8.987745|5.585842|4.814193|5.498602|5.835663|0.098133|4.431499|0.107608|3.695449|0.104926|4.974368|2.926852|4.790586|2.620548|2.878266|2.538960|2.159602|2.043923|2.207384|0.106704|0.085490|0.079197|0.081304|0.070399|0.064734|0.071986|0.072638|0.100970|0.105601|0.159274|0.090218|0.105467|0.083580|0.084833|0.143940|0.120688|0.098598|0.110033|0.210094|0.137853|0.500000| 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