Version2.2 2021-02-06T07:43:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(cc(c1)C(F)(F)F)C[NH+](Cc2ccc(cc2)C(F)(F)F)Cc3[nH+]c(co3)C(=O)[O-] C36053951 RHF 6-31G(d) (6D,7F) c1cc(cc(c1)C(F)(F)F)C[NH+](Cc2ccc(cc2)C(F)(F)F)Cc3[nH+]c(co3)C(=O)[O-] C01[X(C21H17F6N2O3)] 141 C1 514 [O-]C(=O)c1coc([nH+]1)C[NH+](Cc1cccc(c1)C(F)(F)F)Cc1ccc(cc1)C(F)(F)F [O-]C(=O)c1coc([nH+]1)C[NH+](Cc1cccc(c1)C(F)(F)F)Cc1ccc(cc1)C(F)(F)F [O-]C(=O)c1coc(C[NH+](Cc2ccc(cc2)C(F)(F)F)Cc3cccc(c3)C(F)(F)F)[nH+]1 InChIKey=QCPPGZFWPKOZDW-UHFFFAOYSA-O InChI=1S/C21H16F6N2O3/c22-20(23,24)15-6-4-13(5-7-15)9-29(11-18-28-17(12-32-18)19(30)31)10-14-2-1-3-16(8-14)21(25,26)27/h1-8,12H,9-11H2,(H,30,31)/p+1 InChI=1/C21H16F6N2O3/c22-20(23,24)15-6-4-13(5-7-15)9-29(11-18-28-17(12-32-18)19(30)31)10-14-2-1-3-16(8-14)21(25,26)27/h1-8,12H,9-11H2,(H,30,31)/p+1/fC21H17F6N2O3/h28-29H/q+1 c1cc(cc(c1)C(F)(F)F)C[NH+](Cc2ccc(cc2)C(F)(F)F)Cc3[nH+]c(co3)C(=O)[O-] C01[X(C21H17F6N2O3)] 141 C01 514 [O-]C(=O)c1coc([nH+]1)C[NH+](Cc1cccc(c1)C(F)(F)F)Cc1ccc(cc1)C(F)(F)F O=[C]([O])C1=C[O][C]([NH]1)C[NH](C[C]1[CH][CH][CH][C]([CH]1)C(F)(F)F)C[C]1[CH][CH][C]([CH][CH]1)C(F)(F)F [O]C(=O)C1=CO[C](C[NH](C[C]2[CH][CH][C]([CH][CH]2)C(F)(F)F)C[C]3[CH][CH][CH][C]([CH]3)C(F)(F)F)N1 InChIKey=JLXKSDAKSXPJHH-UHFFFAOYSA-N InChI=1S/C21H17F6N2O3/c22-20(23,24)15-6-4-13(5-7-15)9-29(11-18-28-17(12-32-18)19(30)31)10-14-2-1-3-16(8-14)21(25,26)27/h1-8,12,28-29H,9-11H2 InChI=1/C21H17F6N2O3/c22-20(23,24)15-6-4-13(5-7-15)9-29(11-18-28-17(12-32-18)19(30)31)10-14-2-1-3-16(8-14)21(25,26)27/h1-8,12,28-29H,9-11H2 3201.3380764324 -1734.9825323 1-A 19726.2622 117 397 514 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.45091 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459.11434 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 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 7.3975 7.4942 11.2306 12.7246 19.1016 25.4543 36.2392 56.5329 65.2077 76.0516 97.4024 109.8401 114.8637 140.7044 151.8285 170.5214 194.9430 205.3855 223.3896 246.9269 262.3775 307.3729 339.2937 349.9092 358.6025 364.8358 372.8656 387.4276 398.6168 418.9353 445.9273 454.3240 457.8408 480.0915 509.0208 520.1772 548.7026 562.3543 572.1920 631.0274 633.8874 645.4536 649.6054 659.1936 689.3079 696.3775 714.5406 737.8886 754.5124 784.4209 794.5133 823.7170 832.4439 835.6480 837.6943 844.8067 867.6864 907.5614 923.0119 928.2502 948.7650 956.9136 963.4115 985.1168 1004.3601 1007.6761 1053.5842 1067.8673 1070.4576 1079.6640 1082.2088 1092.4606 1095.3375 1103.3271 1112.3714 1121.5995 1136.0262 1139.6890 1146.0328 1181.3211 1187.1802 1205.4250 1207.1959 1218.4242 1253.7486 1284.6492 1305.9047 1310.5235 1319.1785 1322.4543 1333.4824 1351.3498 1360.2146 1371.9971 1376.5326 1386.4173 1409.1672 1412.1507 1434.5794 1441.8120 1470.0095 1474.4150 1478.6509 1481.0364 1484.4696 1507.7018 1567.0667 1577.4963 1590.8908 1595.2850 1612.8389 1621.9805 1635.9967 1645.3320 1648.5922 1668.4383 1699.3194 1725.7100 1779.2891 1793.5501 1823.9047 1824.5797 1831.1354 2049.4991 3280.3382 3297.4865 3302.4569 3334.3214 3357.3452 3358.8728 3370.0022 3380.7341 3388.9845 3394.5766 3403.6408 3408.5492 3418.2088 3421.4978 3530.2322 3635.3041 3687.5872 17.9178 16.4406 9.6848 7.5116 8.1834 9.8771 7.3833 5.7748 8.2562 6.0770 5.8302 8.4971 7.9889 7.3481 7.5899 7.9872 6.0332 5.3732 6.0727 6.3089 5.6753 5.6063 5.1657 4.2540 5.9241 4.9652 4.3812 3.1728 4.4119 5.1424 5.1625 3.6717 3.1859 3.3634 4.0778 4.7683 8.4755 6.4081 5.3347 11.8305 11.1132 5.3798 4.4033 4.7845 4.6242 6.9892 6.6942 6.2214 5.4677 2.4639 3.6442 4.9761 11.8838 6.4398 4.6489 5.4791 7.0337 4.6755 1.5344 1.5301 1.4947 2.7203 1.5424 2.9822 1.7034 1.2179 1.4894 3.8491 3.1051 1.7509 2.5836 4.9823 2.1210 1.4357 3.5975 1.4175 2.9008 2.5163 1.3849 4.2081 2.7758 2.6875 2.1594 1.8033 2.5678 2.0636 1.5129 1.7646 1.4457 1.9695 1.5963 1.3858 12.3609 3.8961 12.7316 1.3489 4.7000 4.0521 8.3292 1.3443 1.6102 2.4570 1.4412 3.7342 1.2517 1.2901 1.4069 2.1580 1.4034 1.6222 2.9234 1.5732 1.4745 1.1366 1.0975 2.4438 2.5059 5.4803 6.1503 5.3511 6.8177 5.6832 5.4607 12.4510 1.0653 1.0619 1.0626 1.0915 1.1073 1.1096 1.1095 1.0918 1.0901 1.0923 1.0949 1.0949 1.0951 1.0960 1.1051 1.0868 1.0784 0.0006 0.0005 0.0007 0.0007 0.0018 0.0038 0.0057 0.0109 0.0207 0.0207 0.0326 0.0604 0.0621 0.0857 0.1031 0.1368 0.1351 0.1335 0.1785 0.2266 0.2302 0.3121 0.3504 0.3069 0.4488 0.3894 0.3589 0.2806 0.4130 0.5318 0.6048 0.4465 0.3935 0.4567 0.6225 0.7602 1.5034 1.1940 1.0291 2.7755 2.6310 1.3205 1.0948 1.2249 1.2945 1.9969 2.0137 1.9958 1.8339 0.8933 1.3553 1.9893 4.8520 2.6495 1.9221 2.3039 3.1200 2.2690 0.7702 0.7768 0.7927 1.4676 0.8435 1.7051 1.0124 0.7286 0.9741 2.5861 2.0963 1.2025 1.7828 3.5034 1.4993 1.0298 2.6227 1.0506 2.2057 1.9257 1.0717 3.4600 2.3050 2.3008 1.8541 1.5773 2.3781 2.0066 1.5201 1.7856 1.4823 2.0294 1.6724 1.4910 13.4746 4.3210 14.2137 1.5277 5.4989 4.7609 10.0996 1.6465 2.0501 3.1470 1.8566 4.8259 1.6251 1.7278 2.0356 3.1640 2.0927 2.4324 4.4805 2.4386 2.3252 1.8128 1.7575 4.0080 4.2635 9.6160 11.4720 10.1420 13.3627 11.1473 10.7879 30.8141 6.7537 6.8029 6.8277 7.1496 7.3540 7.3756 7.4238 7.3525 7.3764 7.4162 7.4734 7.4951 7.5386 7.5596 8.1148 8.4619 8.6402 0.2116 0.4459 2.4928 3.8351 6.7744 3.0114 2.9135 1.8534 4.4389 6.0701 2.0570 0.1666 3.3506 7.3596 6.0821 5.5251 1.8760 6.8498 4.4968 0.4802 4.8242 5.8328 6.9050 2.6417 5.6650 2.5583 3.6740 1.1688 0.8910 9.8197 1.9591 3.1114 1.8163 3.4356 0.6318 6.8776 1.9476 22.0210 3.4966 0.6351 1.0662 4.8485 1.5416 12.8099 32.3510 0.5484 9.5279 33.7805 6.5102 23.4248 8.6415 25.9396 239.1117 43.9991 20.7513 28.0556 37.6459 6.7988 33.6917 14.9372 41.6950 40.6504 14.7067 66.0194 27.5435 88.7448 19.8787 4.9878 20.1178 11.3702 173.2670 3.2300 12.5904 1.6485 19.3987 0.9718 10.2611 7.2722 1.2019 124.2563 66.8699 95.8027 35.2167 6.2185 14.7669 51.5045 75.2742 18.4671 21.6903 0.8166 2.4252 46.4541 284.9369 19.0998 300.9701 39.7189 71.7833 226.4723 492.3030 14.6130 195.9139 335.8081 6.4320 278.9724 26.8727 28.9908 17.3120 13.4391 105.7881 99.3797 17.8944 0.9611 46.1313 5.0262 29.6432 6.1562 2.0376 35.2443 6.5565 2.2938 31.4010 33.0252 5.6221 669.6713 4.1296 2.8177 2.4442 14.3546 0.3660 1.4132 4.3627 12.6302 0.2332 0.2166 3.5455 0.1084 0.3146 0.4674 24.6355 338.5421 50.1876 0.0279 0.1689 0.7447 1.0443 1.6742 1.3132 3.5772 3.6064 1.4389 0.9594 2.3967 1.8949 0.2879 1.7061 0.5339 1.9652 2.3823 0.2835 2.8683 3.5548 2.3583 0.7213 2.1547 1.4950 0.8450 2.4983 1.3626 0.7462 0.6722 2.0054 0.6335 0.4143 0.6049 1.2056 2.6842 0.3909 1.2345 0.6733 1.5067 0.4310 0.2635 0.8892 1.2781 0.4362 1.9734 7.1457 3.7293 1.4566 2.2961 1.2424 5.2175 11.9785 0.1944 3.7805 3.0330 4.2111 3.7962 17.3116 1.5594 2.2462 1.0384 5.1783 0.2773 7.9513 2.1541 2.6214 0.4951 43.9409 2.6033 1.9617 11.2694 35.9443 4.4726 1.9530 3.7419 1.3332 17.9932 23.3622 0.5082 7.3663 3.6069 5.3095 2.7877 4.9876 8.7125 1.6966 10.0812 4.7490 5.6418 13.0799 3.7792 3.2043 2.1325 6.2917 2.5591 3.5057 3.1362 3.2023 10.5728 9.7113 1.3486 1.1186 3.8273 5.6670 4.1787 5.9253 8.4117 1.5668 7.0966 22.7142 2.1381 101.5731 32.5466 12.9260 14.1503 1.8416 4.5317 130.9985 5.4314 20.6878 17.5628 22.9087 54.7673 3.9893 36.3703 54.8074 128.2764 53.2104 27.5223 25.7083 45.9223 40.7578 89.6687 51.0026 86.6245 93.4355 95.5480 157.5948 63.2990 17.7710 27.1064 0.7451 0.7499 0.7497 0.7276 0.7427 0.7430 0.7434 0.6902 0.7482 0.7385 0.6907 0.6957 0.4767 0.7435 0.6861 0.3703 0.7436 0.5883 0.2615 0.7488 0.5233 0.5450 0.3782 0.6365 0.7500 0.3563 0.6793 0.7467 0.2333 0.7319 0.7104 0.4530 0.7100 0.7314 0.4072 0.7351 0.2699 0.3635 0.3086 0.7498 0.7274 0.2224 0.7417 0.2743 0.1384 0.7485 0.4309 0.5007 0.4957 0.0768 0.0755 0.0415 0.4151 0.2364 0.4124 0.5660 0.3944 0.0870 0.2108 0.7364 0.6626 0.6705 0.4913 0.6825 0.4316 0.4934 0.7057 0.4864 0.7392 0.1955 0.1594 0.0940 0.6970 0.7336 0.5661 0.5093 0.3882 0.3952 0.2127 0.1789 0.3873 0.7113 0.3468 0.4909 0.4536 0.7497 0.4466 0.2404 0.2169 0.2662 0.2345 0.2576 0.7227 0.7276 0.7016 0.7499 0.6879 0.4140 0.2197 0.7356 0.4952 0.2137 0.1225 0.1203 0.6390 0.1986 0.4717 0.3452 0.5586 0.2703 0.6394 0.2889 0.2853 0.7221 0.6418 0.5949 0.4400 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0.7613 0.8212 0.7196 0.6558 0.7067 0.2004 0.1311 0.0672 0.4543 0.8509 0.8178 0.8175 0.7830 0.7163 0.4605 0.3523 0.3994 0.3397 0.3202 0.4023 0.3228 0.3625 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 6 6 6 6 6 6 6 9 9 9 6 7 1 6 6 6 6 6 6 6 6 9 9 9 6 6 7 1 6 6 8 6 8 8 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 18.99840 18.99840 18.99840 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 12.00000 15.99491 15.99491 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 13583.2025 26061.3897 37664.9869 0.99993 0.01169 -0.00352 -0.01169 0.99993 0.00033 0.00352 -0.00029 0.99999 1 0.00638 0.00332 0.00230 0.13287 0.06925 0.04792 10.64 10.78 16.16 18.31 27.48 36.62 52.14 81.34 93.82 109.42 140.14 158.04 165.26 202.44 218.45 245.34 280.48 295.50 321.41 355.27 377.50 442.24 488.17 503.44 515.95 524.92 536.47 557.42 573.52 602.75 641.59 653.67 658.73 690.74 732.37 748.42 789.46 809.10 823.26 907.91 912.02 928.66 934.64 948.43 991.76 1001.93 1028.06 1061.66 1085.58 1128.61 1143.13 1185.15 1197.70 1202.31 1205.26 1215.49 1248.41 1305.78 1328.01 1335.55 1365.06 1376.79 1386.13 1417.36 1445.05 1449.82 1515.87 1536.42 1540.15 1553.40 1557.06 1571.81 1575.95 1587.44 1600.45 1613.73 1634.49 1639.76 1648.89 1699.66 1708.09 1734.34 1736.89 1753.04 1803.86 1848.32 1878.91 1885.55 1898.00 1902.72 1918.58 1944.29 1957.05 1974.00 1980.52 1994.75 2027.48 2031.77 2064.04 2074.45 2115.02 2121.35 2127.45 2130.88 2135.82 2169.25 2254.66 2269.67 2288.94 2295.26 2320.52 2333.67 2353.83 2367.27 2371.96 2400.51 2444.94 2482.91 2560.00 2580.52 2624.19 2625.16 2634.60 2948.77 4719.68 4744.35 4751.50 4797.34 4830.47 4832.67 4848.68 4864.12 4875.99 4884.04 4897.08 4904.14 4918.04 4922.77 5079.22 5230.39 5305.62 0.391101 0.417268 0.418212 0.324886 -1734.591431 -1734.565264 -1734.564320 -1734.657647 3.130203D-04 MUNgauss RevisionA2.1 retrievium 06-Feb-2021 DUDE c1cc(cc(c1)C(F)(F)F)C[NH+](Cc2ccc(cc2)C(F)(F)F)Cc3[nH+]c(co3)C(=O)[O-] C36053951 RHF 6-31G(d) (6D,10F) C1 459.114337 |X|Y|Z| 111.630305 81.279662 25.660281 61.518887 21 6 7 8 18 2 1 |36.858105| |13.796144|36.858105| |7.900561|13.655641|36.858105| |6.882711|7.951937|13.728512|36.858105| |7.955208|6.890611|7.909051|13.734108|36.858105| |13.720506|7.937994|6.832865|7.931953|13.783182|36.858105| |5.023925|4.458982|5.050325|7.668976|12.631175|7.548750|36.858105| |4.203701|3.903065|4.496797|6.438973|8.178937|5.669358|14.381519|97.533100| |4.626631|3.855669|4.011072|5.287565|8.132069|6.975121|14.503608|20.088817|97.533100| |4.126208|3.893480|4.564716|6.709473|8.165209|5.483922|14.424815|20.168375|20.072489|97.533100| |5.025724|7.565699|12.639102|7.569968|5.022101|4.435843|3.811692|8.074327|7.027796|8.292905|36.858105| |4.065884|5.501402|7.407821|5.624046|4.113948|3.686192|3.331428|7.538799|6.239867|7.119020|12.363873|53.358707| |3.432383|4.474857|5.644694|4.533246|3.457141|3.133060|2.902905|6.551815|5.531934|6.366724|9.338152|25.693391|0.500000| |4.090261|5.424723|5.985994|4.539015|3.669136|3.536346|2.971988|6.757520|5.781477|6.155926|7.401856|16.982423|0.259821|36.858105| |3.640011|4.759816|4.803789|3.657623|3.070257|3.063300|2.524966|5.606149|5.044090|5.332785|6.036495|10.324547|0.208696|12.623910|36.858105| |3.883347|4.982846|4.478658|3.407923|2.986349|3.125371|2.435163|5.307363|4.973621|5.097707|5.024496|7.234761|0.140622|7.574981|13.750800|36.858105| |3.197862|3.875187|3.512773|2.802724|2.511545|2.635545|2.103453|4.564756|4.365149|4.472203|3.922202|5.460826|0.112053|5.023283|7.917292|13.726372|36.858105| |2.688538|3.216246|3.077497|2.523592|2.242898|2.296192|1.919183|4.196658|3.971646|4.146274|3.578553|5.118183|0.111159|4.445570|6.861336|7.947716|13.787972|36.858105| |2.598605|3.146339|3.169463|2.614838|2.273761|2.267256|1.959240|4.334144|4.001579|4.263042|3.883712|5.917127|0.136690|5.029627|7.911255|6.872298|7.930134|13.711423|36.858105| |2.925261|3.653014|3.816012|3.079406|2.604375|2.554198|2.216004|4.948240|4.450053|4.787629|4.926366|8.374719|0.201008|7.573400|13.664158|7.942168|6.878629|7.952952|13.805743|36.858105| |2.293726|2.647283|2.526267|2.137408|1.937438|1.990984|1.688085|3.681920|3.538151|3.676627|2.853897|3.976429|0.086097|3.287216|4.444420|5.030735|7.581682|12.612189|7.613882|5.049263|36.858105| |2.026335|2.309028|2.246168|1.938815|1.761866|1.792642|1.557358|3.431416|3.267049|3.402518|2.539284|3.634100|0.079574|2.980254|3.868773|4.078282|5.401445|8.162126|6.835888|4.610145|14.455985|97.533100| |2.236401|2.579521|2.482791|2.111109|1.909516|1.952365|1.669200|3.609329|3.498765|3.677478|2.823039|3.800806|0.083001|2.996015|3.900053|4.285070|5.858291|8.177040|6.178686|4.408853|14.429496|20.141282|97.533100| |2.260933|2.550845|2.371901|2.022637|1.868342|1.952357|1.630296|3.545764|3.455829|3.526829|2.584009|3.553620|0.074893|2.970528|3.857300|4.633643|6.975423|8.142662|5.303055|4.036813|14.463306|20.077387|20.116824|97.533100| |3.655373|4.496343|6.067488|5.663634|4.206034|3.571970|3.602875|8.675006|6.590061|7.680615|7.454417|17.281672|0.259228|7.638303|5.009269|3.884488|3.104582|2.952741|3.361652|4.415259|2.405208|5.079125|5.182974|4.926073|36.858105| |3.083684|3.658514|4.873729|4.946528|3.743420|3.107897|3.411356|8.193557|6.227297|7.738677|6.057127|10.422678|0.206935|5.009899|3.893800|3.143036|2.653847|2.605356|2.983708|3.727811|2.189117|4.677932|4.823164|4.459223|12.724733|36.858105| |2.569063|2.986953|3.732394|3.723245|2.992923|2.570436|2.801193|6.707144|5.288281|6.434354|4.601680|7.792217|0.174352|4.200940|3.497284|2.829726|2.464552|2.491507|2.909125|3.562095|2.125928|4.629456|4.697279|4.294640|7.612722|14.813172|53.358707| |2.364517|2.734871|3.297123|3.211497|2.652059|2.336636|2.479429|5.935635|4.775416|5.624378|4.037441|7.068612|0.164197|4.105245|3.501494|2.804018|2.468337|2.537598|3.018659|3.697569|2.168990|4.793783|4.752051|4.355401|6.442438|8.958108|25.540735|0.500000| |2.338413|2.658229|3.277212|3.387341|2.788075|2.380023|2.696520|6.395709|5.121227|6.424303|3.885088|5.851638|0.128566|3.298256|2.874673|2.421507|2.160878|2.192401|2.509293|2.939772|1.917293|4.182403|4.305598|3.896856|5.207963|8.682543|18.684294|0.259804|36.858105| |2.574120|2.910171|3.696540|4.021201|3.247440|2.678430|3.188906|7.504355|5.901979|7.862677|4.247893|5.919594|0.123415|3.264191|2.812883|2.416570|2.140687|2.131326|2.385412|2.780698|1.864517|4.010816|4.211550|3.825677|5.282800|8.808622|12.068236|0.171697|14.284217|36.858105| |3.127532|3.623652|4.924095|5.503198|4.110757|3.264943|3.880211|9.188020|6.889304|9.299193|5.685746|7.929066|0.154131|4.053852|3.307624|2.803070|2.408766|2.347998|2.617516|3.140876|2.011579|4.272198|4.500457|4.138156|7.786408|14.736247|12.299198|0.169991|8.648209|13.748232|73.516695| |1.971382|2.209364|2.610234|2.648506|2.263487|1.989689|2.206564|5.207092|4.315015|5.227980|3.044485|4.577560|0.102566|2.762111|2.509188|2.141398|1.959646|2.027519|2.329852|2.649747|1.808621|4.015758|4.073442|3.667848|3.822939|5.254077|10.422998|0.211170|12.015507|6.893227|8.941343|36.858105| |1.931334|2.175521|2.537245|2.516342|2.157277|1.924517|2.075199|4.911992|4.087273|4.818419|2.989183|4.689991|0.107283|2.901119|2.652628|2.231608|2.046314|2.142084|2.505413|2.866092|1.903575|4.275756|4.244670|3.835183|3.880006|5.029776|10.347520|0.261421|8.365818|5.284924|7.827593|15.508993|73.516695| |1.830950|2.024650|2.365206|2.430784|2.113736|1.862128|2.093396|4.904788|4.131546|5.035874|2.695477|3.897868|0.085834|2.392838|2.204738|1.922343|1.778488|1.836295|2.076243|2.312134|1.661654|3.687688|3.774136|3.392446|3.185370|4.193216|7.321064|0.143452|8.089154|6.035675|7.666243|15.906702|14.966621|73.516695| |17.742161|8.937541|5.630797|4.959281|5.657640|8.916922|4.090509|7.919208|9.013240|7.757114|4.098531|4.717655|0.083585|3.631886|3.383337|3.774470|3.197163|2.648378|2.497506|2.743341|2.292431|4.533598|5.010309|5.187815|3.109315|2.656875|3.091082|0.058914|2.078474|2.253937|4.742645|1.786522|3.130778|2.964008|0.500000| |8.965128|17.732830|8.882719|5.650249|4.963311|5.654817|3.563494|7.224118|7.159651|7.227263|7.007723|7.294315|0.125834|5.734665|5.587179|6.432186|4.846206|3.813620|3.603088|4.124282|3.067661|5.865818|6.679792|6.672972|4.123249|3.370626|3.859120|0.073523|2.511833|2.683687|5.782721|2.128423|3.771094|3.461648|0.216444|0.500000| |4.959579|5.641354|8.882109|17.730575|8.963640|5.660368|7.199226|14.862034|10.926787|16.397140|6.977197|7.541222|0.128379|4.201101|3.391345|3.069270|2.572267|2.378462|2.514483|2.966431|2.030403|4.195666|4.536446|4.283664|6.141388|5.974154|5.878726|0.099628|4.016082|5.068764|13.295848|3.012265|4.974594|4.909863|0.107683|0.123907|0.500000| |8.906214|5.649783|4.934329|5.645406|8.927578|17.758739|6.963844|11.949110|17.814041|11.395521|3.549333|4.174557|0.074132|2.996069|2.650823|2.731763|2.359646|2.069739|2.030682|2.251592|1.824307|3.718748|4.026204|4.065241|3.022196|2.686385|3.095304|0.057967|2.131829|2.381849|5.019538|1.811569|3.115992|3.040074|0.214960|0.124417|0.124539|0.500000| |4.230182|5.691797|8.850652|7.087135|4.711219|3.979376|3.787235|8.008813|6.903434|8.699421|17.644053|12.333243|0.231523|5.525063|4.749277|4.011044|3.335589|3.168474|3.487257|4.268335|2.612319|5.312735|5.933236|5.297430|6.944956|6.871690|7.048326|0.120683|4.555155|5.214475|12.599928|3.437608|5.821488|5.426543|0.097539|0.144878|0.210254|0.090627|0.500000| |4.747197|7.186714|8.848642|5.642410|4.205825|3.979191|3.262519|6.841149|6.257077|7.131897|17.661961|12.411346|0.232263|7.032329|6.977631|6.021063|4.722694|4.268000|4.554724|5.660857|3.319973|6.459617|7.475080|6.666215|5.570335|4.739565|5.344485|0.099676|3.391552|3.592104|7.888067|2.784668|4.923838|4.426874|0.112756|0.217442|0.142440|0.090622|0.302501|0.500000| |5.008989|6.715770|6.860214|5.080943|4.213342|4.190747|3.293723|7.453402|6.421935|6.599195|6.992647|12.288176|0.182636|17.669539|8.784997|7.215831|4.733334|3.960551|4.164899|5.562116|3.024539|6.110365|6.226555|6.365224|6.720101|4.472670|5.002684|0.097805|2.988033|3.046181|6.788843|2.498997|4.585174|3.914754|0.121829|0.191964|0.123374|0.096955|0.142298|0.179056|0.500000| |3.457856|4.265027|4.692718|3.900040|3.256193|3.111407|2.746838|6.425809|5.386105|5.699551|5.512473|12.357851|0.217580|17.626419|8.892076|5.889343|4.313426|4.002807|4.652071|6.841202|3.050022|6.442689|6.185379|6.218840|7.570012|4.978124|5.923686|0.123138|3.329738|3.193883|6.901069|2.835132|5.422565|4.315056|0.086807|0.121760|0.103809|0.075054|0.126231|0.142850|0.301635|0.500000| |4.634454|5.907199|4.841484|3.650811|3.281305|3.563161|2.621957|5.673346|5.395550|5.378215|4.919489|6.765975|0.124204|6.994115|8.898408|17.727957|8.946633|5.661660|4.952989|5.639682|4.105198|7.663618|8.118529|9.044156|3.790658|3.027606|3.641997|0.072699|2.309278|2.343631|4.885259|2.025840|3.713933|3.255190|0.128004|0.223236|0.088572|0.086105|0.107626|0.156314|0.220485|0.151598|0.500000| |3.131734|3.653379|3.203701|2.604624|2.394111|2.565346|2.014753|4.341875|4.242587|4.271862|3.413326|4.603578|0.092931|4.097992|5.643416|8.921453|17.758992|8.927625|5.643396|4.958365|7.011930|11.160238|12.569524|17.736886|2.716785|2.352868|2.974474|0.060499|1.946480|1.944863|3.865709|1.774035|3.269344|2.891900|0.089750|0.126997|0.065963|0.064695|0.081865|0.111790|0.112740|0.099775|0.216375|0.500000| |2.285801|2.710007|2.768720|2.348844|2.055762|2.033190|1.802302|4.003072|3.693377|3.959618|3.365519|5.101127|0.119876|4.101425|5.635692|4.954105|5.645033|8.898749|17.746540|8.941810|7.067383|16.907872|13.747591|10.896126|3.035111|2.792964|3.817755|0.082108|2.454744|2.298673|4.378041|2.339031|4.518680|3.716703|0.061078|0.084100|0.063719|0.051039|0.087084|0.106637|0.095906|0.109637|0.107570|0.124138|0.500000| |2.700307|3.317596|3.612564|3.014896|2.528912|2.424969|2.190060|4.957036|4.366761|4.773491|4.739651|8.664400|0.229170|6.972759|8.829076|5.630784|4.952503|5.663994|8.994106|17.667565|4.123915|8.981036|8.414133|7.575267|4.816219|4.181370|5.663471|0.124497|3.331679|3.046063|6.039428|3.028037|5.981799|4.595466|0.069597|0.099745|0.082925|0.059573|0.119459|0.141798|0.139932|0.194987|0.123597|0.107581|0.217618|0.500000| |3.216019|3.825257|4.709985|4.410054|3.542395|3.126220|3.125117|7.664265|5.898895|6.608323|5.508745|12.340667|0.215965|7.478594|4.929029|3.773167|3.042492|2.927993|3.377697|4.468202|2.387758|5.126411|5.063142|4.893070|17.647014|9.063361|9.686828|0.190249|4.769635|4.502322|10.403720|3.733792|7.058839|5.467403|0.078240|0.100560|0.128839|0.075393|0.141483|0.126529|0.176803|0.251667|0.101251|0.073774|0.085425|0.139848|0.500000| 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