Version2.4 2021-05-26T00:06:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 05-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(c(c(c1)F)N2C(=O)Nc3ccc(cc3[C@@]2(C(=O)NCCC[NH+]4CCCC4)O)Br)F C03619957 RHF 6-31G(d) (6D,7F) c1cc(c(c(c1)F)N2C(=O)Nc3ccc(cc3[C@@]2(C(=O)NCCC[NH+]4CCCC4)O)Br)F C01[X(C22H24Br1F2N4O3)] 162 C1 543 Brc1ccc2c(c1)[C@](O)(C(=O)NCCC[NH+]1CCCC1)N(C(=O)N2)c1c(F)cccc1F Brc1ccc2c(c1)[C@](O)(C(=O)NCCC[NH+]1CCCC1)N(C(=O)N2)c1c(F)cccc1F O[C@]1(N(C(=O)Nc2ccc(Br)cc12)c3c(F)cccc3F)C(=O)NCCC[NH+]4CCCC4 InChIKey=ZFYLLWXFPSLOKJ-QFIPXVFZSA-O InChI=1S/C22H23BrF2N4O3/c23-14-7-8-18-15(13-14)22(32,20(30)26-9-4-12-28-10-1-2-11-28)29(21(31)27-18)19-16(24)5-3-6-17(19)25/h3,5-8,13,32H,1-2,4,9-12H2,(H,26,30)(H,27,31)/p+1/t22-/m0/s1 InChI=1/C22H23BrF2N4O3/c23-14-7-8-18-15(13-14)22(32,20(30)26-9-4-12-28-10-1-2-11-28)29(21(31)27-18)19-16(24)5-3-6-17(19)25/h3,5-8,13,32H,1-2,4,9-12H2,(H,26,30)(H,27,31)/p+1/t22-/m0/s1/fC22H24BrF2N4O3/h26-28H/q+1 c1cc(c(c(c1)F)N2C(=O)Nc3ccc(cc3[C@@]2(C(=O)NCCC[NH+]4CCCC4)O)Br)F C01[X(C22H24Br1F2N4O3)] 162 C01 543 Brc1ccc2c(c1)[C@](O)(C(=O)NCCC[NH+]1CCCC1)N(C(=O)N2)c1c(F)cccc1F O=C1N[C]2[CH][CH][C]([CH][C]2[C@](N1[C]1[C]([CH][CH][CH][C]1F)F)(O)C(=O)NCCC[NH]1CCCC1)Br O[C@@]1([C]2[CH][C](Br)[CH][CH][C]2NC(=O)N1[C]3[C](F)[CH][CH][CH][C]3F)C(=O)NCCC[NH]4CCCC4 InChIKey=XBKPTBGRAVRLKD-QFIPXVFZSA-N InChI=1S/C22H24BrF2N4O3/c23-14-7-8-18-15(13-14)22(32,20(30)26-9-4-12-28-10-1-2-11-28)29(21(31)27-18)19-16(24)5-3-6-17(19)25/h3,5-8,13,28,32H,1-2,4,9-12H2,(H,26,30)(H,27,31)/t22-/m0/s1 InChI=1/C22H24BrF2N4O3/c23-14-7-8-18-15(13-14)22(32,20(30)26-9-4-12-28-10-1-2-11-28)29(21(31)27-18)19-16(24)5-3-6-17(19)25/h3,5-8,13,28,32H,1-2,4,9-12H2,(H,26,30)(H,27,31)/t22-/m0/s1/f/h26-27H 3886.0945321593 -4058.0655634 1-A 19786.9928 130 413 543 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2.7193 1.9412 1.9542 2.0885 2.1314 3.1479 3.0390 4.9285 1.6907 3.5100 1.5850 2.5672 1.4344 1.3286 1.4132 2.6213 3.2031 2.1086 2.0518 1.2606 1.6035 1.2984 1.2664 3.2010 4.2141 1.2979 1.2944 1.0943 1.2882 1.3165 3.9754 1.3056 1.8741 1.2752 1.9271 1.3244 1.4854 1.2577 2.1771 1.0849 1.0872 1.1037 1.0925 1.0947 2.9504 1.1016 2.9766 1.1030 4.5991 1.8778 6.8783 7.2168 6.0245 8.3061 9.4079 8.9576 1.0614 1.0601 1.0699 1.0602 1.0633 1.0623 1.1054 1.0642 1.1098 1.1031 1.1053 1.1103 1.1114 1.1109 1.0919 1.0903 1.0955 1.0945 1.0977 1.0931 1.0784 1.0782 1.0801 1.0656 0.0005 0.0007 0.0009 0.0026 0.0060 0.0024 0.0075 0.0140 0.0156 0.0333 0.0270 0.0254 0.0707 0.0765 0.0602 0.0326 0.1311 0.1686 0.2667 0.1185 0.0723 0.1570 0.2164 0.4920 0.2471 0.3089 0.4559 0.6825 0.4987 0.9026 0.4718 0.5725 0.6239 0.6250 0.3094 0.5002 0.2554 0.2237 1.0766 0.7319 0.9051 0.6598 0.8117 0.8733 1.0601 0.6965 0.6779 0.9078 1.0669 0.9693 2.0961 0.9466 1.7070 0.6627 0.7875 1.3393 2.2271 2.6580 0.5410 3.3815 0.9869 0.7758 1.1667 1.1235 0.7598 1.2859 1.5271 1.6596 0.8296 3.1199 1.4166 1.2516 0.9283 1.5634 2.6346 0.9971 0.9768 2.5453 4.2460 3.4796 2.1363 1.6431 2.1941 1.5704 1.5860 1.7509 1.7902 2.7431 2.6865 4.4640 1.5750 3.3772 1.6142 2.6239 1.4860 1.4082 1.5334 2.8638 3.5477 2.3901 2.3389 1.4424 1.8674 1.5505 1.5373 3.9233 5.2368 1.6244 1.6453 1.4088 1.6884 1.7581 5.3549 1.7860 2.5910 1.8071 2.8005 1.9373 2.1897 1.8884 3.3933 1.7122 1.7209 1.7500 1.7496 1.7550 4.7534 1.7837 4.8871 1.8245 7.6936 3.2861 13.0924 13.7816 11.6682 16.3286 20.6583 20.7861 6.5431 6.5819 6.6478 6.6464 6.6985 6.7185 6.9958 6.7883 7.1169 7.1139 7.1832 7.2226 7.3231 7.3753 7.3235 7.3820 7.5042 7.4999 7.5461 7.5630 8.6468 9.3967 9.5314 10.1011 1.8259 0.5651 0.3842 0.8470 0.7504 1.4026 4.0273 3.4899 2.2327 4.3879 0.7287 3.6255 1.9581 2.5424 2.9800 1.0121 0.2747 1.6288 0.2687 0.4022 0.7754 1.0574 0.0744 0.6546 4.7458 2.3456 5.2521 5.4350 5.5017 21.2873 54.5873 0.9227 20.8893 8.0629 0.6474 5.1579 52.3224 86.8647 5.8345 9.7442 96.5884 37.9449 0.3349 5.7006 23.0371 3.9996 26.4310 12.8009 4.6849 10.8413 8.9879 31.8139 16.6138 6.1376 2.0213 0.6264 2.2514 13.0697 1.4104 61.9162 31.5675 94.4191 1.5117 5.6805 51.9035 18.9362 4.4296 13.1996 0.3141 1.6863 1.3353 10.6380 1.9279 8.2747 32.1411 0.9053 0.6715 34.8397 26.9666 91.6443 27.7973 5.0419 7.8361 10.1338 18.7995 26.9993 8.7936 6.1478 18.9033 19.6155 17.2942 39.2768 5.4906 42.0314 12.4737 7.0668 36.3360 85.7136 61.0310 37.9194 98.1866 3.8102 49.0800 12.5947 7.6211 17.2736 19.9738 3.7359 1.5715 17.3536 3.5943 3.3022 575.9151 1.4700 37.7835 20.2250 143.4505 45.7171 46.2151 69.2935 42.0803 3.0600 7.6880 4.1373 3.2861 3.8809 108.8411 14.0968 190.8581 4.0853 108.1590 216.7213 23.1366 103.8631 18.9772 74.4671 237.8937 720.9347 7.0781 22.2780 12.3606 9.0764 12.1889 8.5162 0.0732 3.9414 11.6910 2.3332 7.4446 10.9837 5.7078 4.6074 6.4719 5.3023 1.3890 2.3801 1.7964 0.6088 41.0567 93.3102 63.7085 145.9505 1.3013 0.5426 0.2847 0.5981 3.3005 0.1832 0.6022 2.4520 3.9209 0.8063 0.8048 0.4291 0.9032 0.6980 0.7420 0.2311 2.0613 1.6360 1.0725 1.2556 0.2569 2.2032 3.1329 3.1735 0.9535 1.0479 1.7658 1.4850 2.0495 0.9098 1.6175 3.9919 1.9324 2.3284 0.1169 0.5541 2.2263 0.4785 2.4004 2.7002 0.3184 2.6320 0.8158 2.3920 2.7585 0.3276 1.8023 0.7115 0.4931 3.3145 4.9443 9.7840 5.6712 6.1952 5.2395 0.5809 5.9830 0.7214 0.6611 1.2839 3.9327 1.0478 4.0891 4.7489 2.1588 13.2446 7.4888 2.1656 1.3357 2.4497 1.9622 5.5187 0.8599 9.3990 1.6355 0.4449 0.5695 6.7574 6.6340 1.0640 1.7791 9.5299 3.0231 7.0519 5.6132 9.1784 12.5419 4.3589 0.5211 1.1188 2.6188 2.9558 0.4577 10.6519 2.2616 1.9121 7.9346 6.7513 1.3586 11.3674 11.5926 10.3160 1.1226 5.4916 7.2429 8.7483 8.2549 3.5470 1.2926 20.6468 2.1762 2.2074 6.3547 1.5284 2.8363 1.3551 3.6026 2.4440 2.5245 5.2932 8.7013 13.3449 2.0481 21.9218 8.1271 4.1132 2.1572 6.0431 4.8523 5.1181 4.9981 1.8346 33.9495 5.6335 29.7298 38.3819 2.7474 10.4817 67.3555 23.5122 70.2792 34.7114 67.6586 55.8379 70.2072 88.6762 5.8201 60.2865 111.0274 23.4976 51.7421 36.8484 83.2222 73.3861 119.2591 80.7853 216.1074 33.1940 21.7481 76.4788 34.9461 29.0885 0.7467 0.7476 0.7488 0.7282 0.7499 0.7404 0.7059 0.7458 0.7370 0.7492 0.7073 0.4695 0.7446 0.6626 0.6495 0.6236 0.4231 0.3138 0.0949 0.7483 0.6748 0.1343 0.6518 0.5189 0.7472 0.6269 0.2539 0.6573 0.5130 0.4899 0.4072 0.4337 0.5812 0.1482 0.3893 0.4943 0.7245 0.1943 0.7226 0.2286 0.7257 0.3880 0.6299 0.1736 0.7205 0.7268 0.2461 0.6485 0.7226 0.6453 0.0286 0.1928 0.2814 0.0437 0.2736 0.3738 0.2718 0.1011 0.1732 0.5476 0.0325 0.7371 0.1931 0.2841 0.6075 0.1746 0.2003 0.2240 0.7457 0.3526 0.5881 0.2990 0.0101 0.2691 0.7438 0.6900 0.2239 0.3997 0.1919 0.2910 0.4772 0.6674 0.6284 0.1213 0.5558 0.3516 0.1003 0.7442 0.7448 0.5508 0.3831 0.1506 0.6096 0.2405 0.7335 0.7277 0.6266 0.6719 0.6997 0.1271 0.1379 0.4840 0.7500 0.6166 0.6432 0.2655 0.1636 0.7087 0.7428 0.7034 0.7239 0.5507 0.7305 0.6716 0.7425 0.4825 0.4375 0.6671 0.4908 0.6773 0.1553 0.7500 0.7498 0.6373 0.6173 0.7489 0.7417 0.7307 0.2307 0.7460 0.1114 0.6936 0.5176 0.7334 0.6709 0.5526 0.2300 0.2081 0.0605 0.1056 0.1959 0.0476 0.1830 0.1569 0.6740 0.0317 0.7451 0.3212 0.5078 0.7455 0.7104 0.6530 0.3748 0.6614 0.2403 0.6617 0.1193 0.2595 0.2425 0.1887 0.2503 0.1947 0.8550 0.8555 0.8564 0.8427 0.8571 0.8508 0.8276 0.8544 0.8486 0.8566 0.8286 0.6390 0.8536 0.7970 0.7875 0.7682 0.5946 0.4777 0.1734 0.8560 0.8058 0.2368 0.7892 0.6833 0.8553 0.7707 0.4049 0.7932 0.6781 0.6576 0.5787 0.6050 0.7351 0.2582 0.5604 0.6615 0.8402 0.3253 0.8389 0.3721 0.8410 0.5591 0.7729 0.2959 0.8375 0.8418 0.3950 0.7868 0.8390 0.7844 0.0555 0.3232 0.4392 0.0838 0.4297 0.5441 0.4274 0.1836 0.2952 0.7076 0.0629 0.8487 0.3237 0.4425 0.7558 0.2973 0.3338 0.3660 0.8543 0.5214 0.7406 0.4604 0.0201 0.4241 0.8531 0.8166 0.3659 0.5711 0.3220 0.4508 0.6461 0.8005 0.7718 0.2163 0.7145 0.5203 0.1822 0.8533 0.8538 0.7103 0.5539 0.2618 0.7575 0.3878 0.8463 0.8424 0.7704 0.8037 0.8233 0.2256 0.2424 0.6523 0.8571 0.7628 0.7829 0.4196 0.2813 0.8295 0.8524 0.8259 0.8399 0.7103 0.8443 0.8035 0.8522 0.6510 0.6087 0.8003 0.6584 0.8076 0.2689 0.8571 0.8570 0.7785 0.7634 0.8564 0.8517 0.8444 0.3749 0.8545 0.2005 0.8191 0.6821 0.8462 0.8030 0.7118 0.3740 0.3445 0.1142 0.1910 0.3276 0.0909 0.3094 0.2713 0.8053 0.0614 0.8539 0.4862 0.6736 0.8542 0.8307 0.7901 0.5453 0.7962 0.3875 0.7964 0.2132 0.4121 0.3903 0.3175 0.4004 0.3260 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 6 6 6 6 6 6 9 7 6 8 7 6 6 6 6 6 6 6 6 8 7 6 6 6 7 1 6 6 6 6 8 35 9 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 18.99840 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 78.91834 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 17152.1424 22435.2477 34794.8981 0.99977 0.02140 -0.00104 -0.02142 0.99952 -0.02226 0.00057 0.02228 0.99975 1 0.00505 0.00386 0.00249 0.10522 0.08044 0.05187 16.11 22.06 31.18 43.78 52.34 62.90 82.60 93.19 101.34 114.90 127.48 153.96 175.33 192.25 214.40 225.79 237.04 253.18 299.88 302.69 322.93 398.96 399.65 405.75 438.63 463.94 490.10 549.11 561.75 575.46 582.75 608.88 622.82 663.22 670.21 732.63 750.51 769.86 788.13 793.33 807.43 810.60 849.80 868.67 906.66 913.55 933.84 970.82 971.18 981.05 1012.66 1035.62 1077.97 1153.37 1171.49 1182.79 1202.19 1213.06 1227.24 1241.97 1252.88 1274.88 1293.92 1323.62 1352.62 1375.46 1396.79 1419.06 1432.87 1437.65 1473.77 1498.90 1518.93 1538.91 1565.63 1592.88 1595.88 1599.42 1610.34 1619.75 1621.96 1657.78 1683.72 1685.91 1688.66 1716.25 1717.86 1749.77 1762.39 1783.91 1809.12 1838.63 1891.64 1895.01 1907.85 1929.82 1952.56 1959.21 1972.67 1995.60 2001.26 2005.05 2022.78 2048.32 2065.23 2075.17 2089.53 2097.03 2113.26 2126.77 2145.89 2166.10 2175.46 2192.38 2203.96 2231.32 2259.61 2267.07 2275.79 2296.80 2340.13 2354.78 2358.31 2360.24 2372.11 2373.30 2379.21 2385.20 2401.76 2410.75 2424.36 2479.63 2586.06 2590.27 2608.62 2628.12 2777.60 2855.35 4653.89 4670.56 4672.35 4693.25 4704.72 4713.98 4715.44 4734.15 4746.76 4760.09 4778.50 4780.66 4811.41 4829.67 4854.47 4877.35 4905.89 4906.63 4914.63 4930.40 5307.77 5533.46 5568.17 5771.06 0.484043 0.511614 0.512558 0.420426 -4057.581521 -4057.553949 -4057.553005 -4057.645138 3.090156D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE c1cc(c(c(c1)F)N2C(=O)Nc3ccc(cc3[C@@]2(C(=O)NCCC[NH+]4CCCC4)O)Br)F C03619957 RHF 6-31G(d) (6D,10F) C1 509.099983 |X|Y|Z| 105.001196 85.629059 37.811409 69.793143 26 6 7 22 4 |36.858105| |13.749906|36.858105| |8.042899|13.846316|36.858105| |6.854275|7.865530|13.781678|36.858105| |8.018513|6.901166|8.070279|13.759182|36.858105| |13.759245|7.898088|6.928903|7.877309|13.824335|36.858105| |5.324581|4.673212|5.350732|8.210219|14.474255|8.189267|97.533100| |4.536839|5.116661|7.776806|13.417883|7.806103|5.128303|15.631001|53.358707| |3.834519|4.276910|5.937869|7.999251|5.823744|4.233852|12.573512|18.892486|36.858105| |3.974126|4.417720|5.830204|7.070004|5.556572|4.293660|11.564953|11.455738|15.973183|73.516695| |3.019807|3.308610|4.280658|5.261106|4.254095|3.296227|9.814686|11.154360|13.791752|15.098303|53.358707| |2.749248|2.946480|3.703682|4.574586|3.891839|3.040840|9.408499|9.391698|7.819269|9.686056|18.555268|36.858105| |2.304727|2.428981|2.919193|3.450639|3.097844|2.531267|7.600653|6.273410|5.191434|7.382911|10.673721|13.723669|36.858105| |2.105569|2.193507|2.578457|3.005037|2.771387|2.311286|6.851507|5.199995|3.961398|5.820158|7.039293|7.953181|13.797742|36.858105| |2.199096|2.283309|2.682341|3.143194|2.912596|2.423669|7.207790|5.387416|3.792840|5.507236|6.240363|6.906809|7.962327|13.753538|36.858105| |2.571589|2.692309|3.245125|3.912198|3.536562|2.855963|8.682058|6.978651|4.515711|6.277073|7.082859|7.949020|6.869846|7.933050|13.810457|36.858105| |2.962984|3.170810|4.024988|5.094466|4.301564|3.304339|10.362000|10.587210|6.690820|8.398037|10.861474|13.772066|7.926295|6.873765|7.965876|13.742540|36.858105| |3.753031|4.150417|5.679936|7.668131|5.711402|4.164591|12.498769|17.617881|7.571560|9.371581|9.282892|7.603813|5.029216|4.443162|5.029727|7.549874|12.562340|36.858105| |3.487942|4.101066|5.555058|6.008093|4.428296|3.571387|9.050621|10.590291|5.698198|7.840479|7.299879|5.597492|4.141024|3.767935|4.217154|5.755784|7.492428|12.250729|36.858105| |3.521268|4.135929|5.244025|5.268713|4.129298|3.510122|8.288074|7.860948|4.348650|6.419253|5.481896|4.203579|3.346272|3.178793|3.627035|4.784149|5.443053|7.965795|15.814069|73.516695| |3.042362|3.616040|4.772502|4.872514|3.670266|3.050914|7.589173|8.594480|5.598600|7.909768|7.799864|5.646342|4.296032|3.777991|3.977150|4.950486|6.379492|7.659511|14.157872|15.139146|53.358707| |2.782033|3.355387|4.166767|3.906474|3.067680|2.686969|6.256759|6.104105|4.143503|6.409545|5.646716|4.002675|3.328038|3.025884|3.155354|3.699359|4.318032|4.980149|7.878031|12.376748|17.928843|36.858105| |2.382587|2.767924|3.263813|3.141542|2.603823|2.323230|5.450051|4.813754|3.252070|5.076625|4.569268|3.452254|3.030132|2.903565|3.107783|3.557004|3.813373|4.133123|6.059901|10.865413|10.534074|12.425488|36.858105| |2.174116|2.520990|2.850442|2.662813|2.261356|2.079021|4.705499|3.897586|2.679275|4.343824|3.693390|2.726541|2.456404|2.366368|2.496018|2.774454|2.931857|3.177119|4.262382|8.009047|6.819866|7.553951|12.497244|36.858105| |1.932396|2.184252|2.413775|2.296438|2.006938|1.863834|4.239158|3.332942|2.284743|3.715630|3.172064|2.397903|2.215040|2.194564|2.344592|2.559639|2.599070|2.750415|3.506104|6.746751|5.238878|4.944875|7.607295|12.708110|53.358707| |2.002483|2.251629|2.482386|2.373833|2.084738|1.937186|4.405501|3.426050|2.302774|3.717792|3.172856|2.427823|2.228865|2.230696|2.430089|2.689206|2.692810|2.882202|3.696675|7.413464|5.271508|4.766725|7.251965|9.362861|25.696509|0.500000| |1.777804|1.997274|2.151809|2.023128|1.795330|1.697696|3.783301|2.871474|1.986059|3.293336|2.726292|2.032726|1.893771|1.872428|1.979441|2.136270|2.172831|2.305177|2.828221|5.438805|4.143594|3.789403|4.929906|7.547776|17.276184|0.259641|36.858105| |1.596148|1.760826|1.885124|1.803788|1.626951|1.541261|3.474791|2.566984|1.780442|2.950466|2.466491|1.865954|1.768740|1.779081|1.888884|2.005844|1.994850|2.074157|2.469067|4.719308|3.548361|3.067287|3.918939|5.069823|10.953580|0.201951|12.513436|36.858105| 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|1.882218|1.928952|2.189051|2.482756|2.371388|2.053165|5.820589|3.969954|2.770048|4.226312|4.286164|4.094434|4.600655|6.689962|10.055368|6.701508|4.600193|3.555674|3.207311|5.273693|4.115714|2.575012|2.660564|2.221658|2.958672|0.063170|1.861742|1.826564|2.010378|2.271979|6.296112|2539.412838| |5.314170|8.161925|14.319391|8.193121|5.334896|4.669478|9.229643|9.404912|5.787163|9.907402|6.018921|3.766323|2.972504|2.606981|2.687702|3.223554|4.017073|5.514882|6.326944|10.338198|8.137481|5.478894|3.937420|3.417958|3.770556|0.078013|2.442898|2.090522|2.062326|2.418151|8.273401|74.363477|97.533100| |17.736385|8.943823|5.696889|4.943750|5.687241|8.947751|9.633052|4.917337|3.167707|5.878553|3.520515|2.381181|2.041433|1.885365|1.965052|2.259907|2.544645|3.111850|2.952987|5.376881|3.575215|2.459974|2.149069|1.998914|2.446721|0.051704|1.676652|1.512894|1.470215|1.620616|5.845434|58.353134|9.614935|0.500000| |8.833645|17.757297|8.971710|5.631493|4.970135|5.612968|8.324760|5.670766|3.645721|6.750693|3.996776|2.627023|2.206862|2.006085|2.079806|2.416188|2.796309|3.543716|3.686090|6.750053|4.588537|3.285922|2.727155|2.556730|3.005857|0.062888|2.049843|1.791844|1.725118|1.935965|6.185166|60.652349|16.696429|0.213022|0.500000| |8.842296|5.614025|4.984482|5.638015|8.980140|17.757490|16.749836|5.684710|3.597278|6.501884|3.974797|2.748091|2.347377|2.173066|2.277551|2.635681|2.963238|3.559115|3.051946|5.364940|3.597202|2.349428|2.076066|1.873674|2.319075|0.049226|1.562672|1.433231|1.420840|1.571761|7.036281|66.915397|8.319421|0.213283|0.123131|0.500000| |2.755482|2.983537|3.711340|4.374532|3.714471|2.985185|8.636612|8.147371|9.617617|14.261270|25.987653|9.240813|7.301787|4.787408|4.036487|4.281407|5.813610|5.031904|4.227695|5.950926|6.277837|3.605730|2.979192|2.478697|2.921358|0.059117|1.869620|1.700264|1.793394|2.096871|6.816700|98.321540|8.622456|0.066628|0.074687|0.074726|0.500000| |2.162642|2.276025|2.697805|3.123365|2.831095|2.356014|6.889673|5.469828|4.776775|7.216967|9.710535|8.897888|17.718335|8.933170|5.656172|4.950577|5.640296|4.100858|3.518740|5.163141|5.107886|3.032742|2.748767|2.284563|2.803461|0.056972|1.784116|1.667898|1.804317|2.095249|6.004665|130.171096|6.210779|0.053635|0.057932|0.061048|0.217812|0.500000| |1.889370|1.956737|2.257970|2.581444|2.418149|2.060516|5.957254|4.303772|3.312230|5.058959|5.691299|5.654294|8.939414|17.754885|8.917756|5.649309|4.955335|3.553825|3.127980|4.827869|4.323551|2.651823|2.587383|2.160823|2.765731|0.057079|1.753688|1.684363|1.852699|2.122790|5.667724|219.605784|5.141083|0.047514|0.050168|0.054377|0.112937|0.215464|0.500000| |2.600599|2.702308|3.201586|3.799450|3.502452|2.880627|8.499556|6.361340|3.925784|5.622575|5.739648|5.659293|4.955482|5.646729|8.930360|17.778732|8.934182|7.005670|5.692047|9.161958|6.256647|3.573646|3.545986|2.791842|3.571828|0.078194|2.189556|2.068407|2.208643|2.579264|13.528070|219.641830|7.075025|0.063788|0.067490|0.074204|0.098402|0.107573|0.124255|0.500000| |2.949514|3.459693|4.576054|4.841644|3.659148|3.000944|7.713165|9.119296|6.743583|9.209321|10.300297|6.915142|5.050060|4.158429|4.144670|4.982068|6.844741|7.308919|9.412121|10.892139|26.043123|9.038534|5.951954|4.229181|4.550534|0.091793|2.720156|2.366054|2.502787|3.132490|8.665504|103.493363|12.596228|0.070714|0.088942|0.072556|0.164076|0.123728|0.096189|0.121402|0.500000| |3.073943|3.840421|4.734982|4.142110|3.220646|2.878575|6.368416|6.042833|3.976952|6.335088|5.103692|3.537886|2.936558|2.681003|2.813044|3.317757|3.858518|4.717861|7.303372|12.995034|12.512585|17.590043|8.821270|7.038339|6.387047|0.128441|3.784164|3.006073|2.972462|3.764791|7.023397|79.640516|14.927440|0.075422|0.107006|0.069096|0.091247|0.074925|0.065757|0.091091|0.189634|0.500000| |2.586684|3.102770|3.788658|3.544051|2.822638|2.492933|5.800574|5.528740|4.022117|6.421670|5.611638|3.829857|3.265159|2.913710|2.932049|3.310738|3.872777|4.240372|5.828892|8.997106|12.628378|17.595168|8.800856|6.752328|6.112388|0.114784|3.593688|2.917726|3.034835|3.960213|6.057209|81.659763|11.198115|0.064084|0.085364|0.060973|0.103003|0.085078|0.071944|0.086894|0.235124|0.302237|0.500000| |2.179588|2.484577|2.920457|2.894392|2.434995|2.159165|5.208076|4.545900|3.163575|4.913814|4.641541|3.600358|3.261326|3.163580|3.348665|3.706991|3.883473|3.924931|5.335070|8.957910|9.482485|8.857761|17.566919|8.807112|9.158687|0.172210|4.477213|3.783552|4.326221|6.644416|5.954400|97.546798|7.718399|0.054777|0.067412|0.054127|0.084930|0.082223|0.078757|0.100340|0.163511|0.173705|0.214622|0.500000| |2.468596|2.837827|3.331258|3.250064|2.719745|2.424044|5.707647|4.933997|3.201721|4.941548|4.435057|3.448132|3.005826|2.947079|3.274866|3.859454|4.010254|4.451827|6.724209|13.558763|9.830675|8.939669|17.578762|8.877460|9.687839|0.223015|4.685888|3.882044|4.069725|5.688477|7.096561|96.720670|8.743045|0.061749|0.076875|0.060253|0.079324|0.074408|0.072432|0.111320|0.149941|0.210882|0.174403|0.301626|0.500000| |2.320031|2.729045|3.041478|2.756986|2.336808|2.177662|4.782632|3.915811|2.656235|4.358552|3.557695|2.583431|2.299386|2.200408|2.325508|2.614774|2.793614|3.130137|4.201781|8.224481|6.424598|7.037125|8.821271|17.605513|12.470382|0.223714|7.168746|4.684733|4.275394|5.553790|5.083609|70.456943|8.307711|0.059467|0.078289|0.054230|0.066267|0.059532|0.055737|0.073746|0.110028|0.216801|0.170872|0.173037|0.208695|0.500000| |2.039693|2.359059|2.654028|2.479459|2.114728|1.949656|4.418359|3.639164|2.575644|4.236278|3.588017|2.609016|2.383827|2.275576|2.347300|2.555884|2.720270|2.886918|3.720429|6.687580|6.139939|6.620961|8.729808|17.607593|12.432006|0.182312|6.902584|4.760192|4.850527|6.947271|4.566832|71.033417|7.177436|0.052322|0.066796|0.048987|0.068036|0.062600|0.058291|0.070204|0.111608|0.167310|0.192067|0.212718|0.172966|0.301464|0.500000| 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|1.512635|1.646432|1.783263|1.753087|1.592004|1.489538|3.463768|2.546750|1.773436|2.903794|2.512077|1.951013|1.889733|1.948948|2.086643|2.167130|2.090453|2.100371|2.450301|4.590353|3.508732|2.887031|3.749200|4.203219|8.278886|0.165675|5.794124|8.718678|17.623781|8.736036|3.594648|70.770589|4.384310|0.039615|0.045714|0.038709|0.048120|0.049239|0.051754|0.062171|0.065756|0.075371|0.076085|0.109031|0.105599|0.101623|0.109836|0.128446|0.137360|0.224570|0.188300|0.500000| |1.464533|1.605318|1.737970|1.692570|1.528326|1.432685|3.309376|2.458663|1.742177|2.882851|2.473736|1.886505|1.831601|1.855934|1.939103|2.001972|1.975331|1.984236|2.314639|4.246709|3.417725|2.886551|3.655847|4.354764|8.106199|0.141119|6.316055|8.728126|17.616629|8.820445|3.334526|64.327226|4.327217|0.038411|0.044911|0.037146|0.047884|0.048411|0.049491|0.056290|0.065044|0.075123|0.079050|0.107371|0.096386|0.103789|0.124208|0.130944|0.172700|0.176172|0.222354|0.303675|0.500000| 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