Version2.4 2021-06-11T01:21:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCC(CC2)c3nc4ccccc4o3)CCc5ccc(cc5)OC(F)F C23384927 RHF 6-31G(d) (6D,7F) C[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCC(CC2)c3nc4ccccc4o3)CCc5ccc(cc5)OC(F)F C01[X(C26H29F2N4O4)] 189 C1 598 FC(Oc1ccc(cc1)CC[C@@]1(C)NC(=O)N(C1=O)C[NH+]1CCC(CC1)c1nc2c(o1)cccc2)F FC(Oc1ccc(cc1)CC[C@@]1(C)NC(=O)N(C1=O)C[NH+]1CCC(CC1)c1nc2c(o1)cccc2)F C[C@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(C[NH+]3CCC(CC3)c4oc5ccccc5n4)C1=O InChIKey=DMWZCHRCFMQCFR-AREMUKBSSA-O InChI=1S/C26H28F2N4O4/c1-26(13-10-17-6-8-19(9-7-17)35-24(27)28)23(33)32(25(34)30-26)16-31-14-11-18(12-15-31)22-29-20-4-2-3-5-21(20)36-22/h2-9,18,24H,10-16H2,1H3,(H,30,34)/p+1/t26-/m1/s1 InChI=1/C26H28F2N4O4/c1-26(13-10-17-6-8-19(9-7-17)35-24(27)28)23(33)32(25(34)30-26)16-31-14-11-18(12-15-31)22-29-20-4-2-3-5-21(20)36-22/h2-9,18,24H,10-16H2,1H3,(H,30,34)/p+1/t26-/m1/s1/fC26H29F2N4O4/h30-31H/q+1 C[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCC(CC2)c3nc4ccccc4o3)CCc5ccc(cc5)OC(F)F C01[X(C26H29F2N4O4)] 189 C01 598 FC(Oc1ccc(cc1)CC[C@@]1(C)NC(=O)N(C1=O)C[NH+]1CCC(CC1)c1nc2c(o1)cccc2)F FC(O[C]1[CH][CH][C]([CH][CH]1)CC[C@@]1(C)[NH][C](=O)N(C1=O)C[NH]1CC[C@H](CC1)C1=N[C]2[C]([CH][CH][CH][CH]2)O1)F C[C@]1(CC[C]2[CH][CH][C]([CH][CH]2)OC(F)F)NC(=O)N(C[NH]3CC[C@H](CC3)C4=N[C]5[CH][CH][CH][CH][C]5O4)C1=O InChIKey=KYZICUNTACZQGU-AREMUKBSSA-N InChI=1S/C26H29F2N4O4/c1-26(13-10-17-6-8-19(9-7-17)35-24(27)28)23(33)32(25(34)30-26)16-31-14-11-18(12-15-31)22-29-20-4-2-3-5-21(20)36-22/h2-9,18,24,31H,10-16H2,1H3,(H,30,34)/t26-/m1/s1 InChI=1/C26H29F2N4O4/c1-26(13-10-17-6-8-19(9-7-17)35-24(27)28)23(33)32(25(34)30-26)16-31-14-11-18(12-15-31)22-29-20-4-2-3-5-21(20)36-22/h2-9,18,24,31H,10-16H2,1H3,(H,30,34)/t26-/m1/s1/f/h30H 3593.1939188734 -1717.4759804 1-A 41661.3295 131 467 598 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.37742 -26.37705 -20.73242 -20.69082 -20.67964 -20.67771 -15.84531 -15.76478 -15.72779 -15.65762 -11.53274 -11.52055 -11.50411 -11.48827 -11.44205 -11.43953 -11.43667 -11.42302 -11.38159 -11.37873 -11.37849 -11.37680 -11.37531 -11.34339 -11.34203 -11.34184 -11.32928 -11.31962 -11.31487 -11.31422 -11.31392 -11.31052 -11.30963 -11.30735 -11.30236 -11.30173 -1.74710 -1.66933 -1.58806 -1.58354 -1.54899 -1.50954 -1.49831 -1.44607 -1.36926 -1.33960 -1.26230 -1.23972 -1.22908 -1.20652 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499.21569 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 7.2036 8.1789 13.6179 21.1989 26.0852 27.7396 34.9861 48.4251 57.8283 63.5299 71.0437 99.7847 111.3067 127.0408 146.7195 154.2439 160.1962 179.7824 202.3087 211.7763 233.4336 246.1837 267.1455 271.3897 277.7979 289.3797 295.2847 309.5264 326.2463 339.7266 355.4551 406.6696 415.0343 419.3381 441.7339 460.5864 461.3172 472.7738 489.3392 492.7674 500.4289 515.7937 536.3027 553.3691 562.8333 586.1334 592.2767 606.0454 630.0430 637.1169 673.6989 681.9998 685.8041 698.0638 736.5306 785.0940 807.0835 812.1835 817.2889 823.3749 832.4188 837.2789 846.0106 847.1415 860.9136 871.5187 876.8730 880.4214 909.4429 919.2785 936.3064 944.6081 955.2332 973.0531 976.4018 980.2445 1001.7510 1030.3456 1034.3409 1057.8608 1068.8131 1071.6711 1075.0946 1077.8622 1086.4610 1093.4653 1104.0133 1108.6069 1115.7507 1121.5172 1121.8645 1130.7021 1170.2477 1171.1152 1194.0164 1207.6146 1211.1892 1218.6552 1219.6069 1230.5041 1233.3022 1266.0935 1274.3874 1290.9381 1297.0754 1298.6378 1307.1040 1312.5970 1313.9782 1324.7498 1328.3679 1346.7139 1361.8092 1382.5778 1395.5921 1403.9097 1412.7065 1417.3559 1421.5491 1432.0605 1450.3862 1455.9870 1461.6526 1466.9694 1476.6265 1481.3976 1496.2007 1508.1416 1533.5452 1536.4470 1539.2224 1549.5855 1564.3641 1567.1329 1570.7007 1574.1944 1577.1855 1597.5613 1601.3748 1606.4362 1622.1418 1623.3489 1629.8651 1636.0305 1639.6567 1639.9017 1643.1200 1644.3773 1646.4720 1646.5028 1647.3695 1660.9232 1697.3280 1785.1503 1797.9041 1813.9923 1823.8952 1858.4387 1975.5269 2058.8553 3210.0166 3220.5400 3227.0118 3232.0068 3234.4672 3253.7154 3254.5435 3262.8323 3271.2929 3281.6437 3287.2752 3291.3531 3296.1448 3297.6980 3320.4261 3328.1613 3346.4756 3353.9279 3357.4457 3371.8919 3377.5004 3391.6851 3400.4412 3405.6285 3409.1256 3410.4131 3443.0816 3606.4232 3886.4564 10.6710 7.4964 7.3689 4.7593 4.5179 6.4821 5.9156 5.3348 4.9945 6.4684 3.7570 6.8211 6.1013 3.6027 5.3366 8.0762 4.7790 5.3743 5.2996 5.8170 3.0416 2.0197 1.5553 2.7339 3.0195 6.3050 3.3711 2.9937 2.4016 4.5003 3.3443 3.5385 4.6046 4.5265 2.5555 2.8352 2.7972 2.5083 3.3769 3.8812 1.4172 3.3241 5.0144 5.2255 7.3475 2.9555 12.1758 3.2776 4.5200 3.6659 6.8917 7.0329 5.0149 6.8949 3.7894 3.6355 5.4248 3.7804 5.6307 4.5768 1.4818 3.1950 3.0639 3.2309 1.7546 4.5200 10.3266 1.8853 3.9827 2.8204 1.2816 1.8885 4.5520 2.7851 4.3762 1.4175 2.0709 2.3095 1.8936 2.5321 2.2888 1.6727 1.7377 1.3634 1.9678 1.3515 2.1118 2.1772 2.8957 2.8593 1.3166 2.2899 2.8451 2.7136 2.4123 1.7674 1.6501 4.5532 1.7685 2.0520 1.7605 5.1161 1.4886 4.0910 2.3575 2.3396 2.9477 1.7479 1.9231 2.4295 2.5041 3.0417 1.5515 1.2596 2.7675 2.0984 6.0970 1.4553 1.3696 1.5867 1.4415 1.2454 1.2863 2.8876 1.7342 1.2633 1.4667 1.4005 1.4088 1.5084 1.4066 1.2411 1.5768 1.2810 1.8044 1.4854 1.6068 2.0615 1.5964 1.5816 1.2853 1.0885 2.4708 1.1230 1.1964 1.0849 1.1085 1.0646 2.1183 1.1869 1.1115 1.0989 2.4944 6.3223 6.9480 7.3065 5.5242 9.4810 9.5326 12.1932 1.0642 1.0656 1.0402 1.0653 1.0678 1.0841 1.0977 1.0634 1.0695 1.1031 1.0999 1.0985 1.0634 1.1010 1.1049 1.1097 1.1063 1.0910 1.0916 1.1123 1.0889 1.0924 1.0950 1.0961 1.0979 1.0929 1.0941 1.0794 1.0808 0.0003 0.0003 0.0008 0.0013 0.0018 0.0029 0.0043 0.0074 0.0098 0.0154 0.0112 0.0400 0.0445 0.0343 0.0677 0.1132 0.0723 0.1023 0.1278 0.1537 0.0977 0.0721 0.0654 0.1186 0.1373 0.3111 0.1732 0.1690 0.1506 0.3060 0.2490 0.3448 0.4673 0.4690 0.2938 0.3544 0.3507 0.3303 0.4764 0.5553 0.2091 0.5210 0.8497 0.9428 1.3714 0.5982 2.5165 0.7093 1.0571 0.8767 1.8429 1.9273 1.3897 1.9796 1.2112 1.3203 2.0819 1.4692 2.2160 1.8281 0.6050 1.3196 1.2920 1.3661 0.7662 2.0227 4.6782 0.8610 1.9408 1.4043 0.6620 0.9928 2.4472 1.5537 2.4581 0.8025 1.2244 1.4446 1.1936 1.6695 1.5405 1.1318 1.1834 0.9333 1.3686 0.9521 1.5165 1.5766 2.1239 2.1190 0.9763 1.7249 2.2956 2.1928 2.0263 1.5186 1.4262 3.9841 1.5498 1.8306 1.5777 4.8319 1.4244 4.0169 2.3368 2.3247 2.9673 1.7743 1.9563 2.5121 2.6034 3.2503 1.6953 1.4186 3.1758 2.4368 7.1692 1.7225 1.6306 1.9172 1.7866 1.5556 1.6191 3.6613 2.2278 1.6335 1.9345 1.8768 1.9521 2.0980 1.9635 1.7558 2.2736 1.8535 2.6228 2.1687 2.3549 3.0999 2.4121 2.4048 1.9926 1.6900 3.8672 1.7710 1.8952 1.7190 1.7633 1.6960 3.3834 1.8959 1.7772 1.7861 4.2340 11.8707 13.2325 14.1654 10.8272 19.2931 21.9194 30.4522 6.4609 6.5117 6.3819 6.5562 6.5816 6.7623 6.8504 6.6699 6.7435 6.9994 7.0029 7.0115 6.8069 7.0544 7.1772 7.2419 7.2995 7.2308 7.2501 7.4512 7.3184 7.4042 7.4596 7.4900 7.5183 7.4891 7.6416 8.2714 9.6183 0.2397 0.7216 0.7632 0.3374 0.3144 0.2037 0.1875 0.2193 0.9842 0.5261 0.0305 0.9141 4.4274 0.8399 1.5117 5.7480 6.1552 5.4334 0.8804 0.5379 1.8322 0.7426 0.0548 4.1769 3.1707 0.4785 2.4605 4.0584 2.7325 37.8455 15.6105 6.5787 1.2229 1.9318 0.7373 10.3026 8.5968 75.8611 7.1065 4.5945 86.6785 0.8649 4.2863 5.2803 10.9152 9.3725 2.8633 3.8638 2.5803 0.2059 7.6383 3.9063 35.5109 0.8353 3.4796 1.0599 6.9351 4.2849 0.0342 11.6844 3.1643 11.1051 16.8243 0.4259 71.7266 39.2170 41.2347 14.0051 6.8831 18.0860 1.5764 39.0693 19.7510 35.6062 5.4744 0.0103 5.5438 55.5128 72.1176 19.3092 3.8539 7.1431 12.1074 3.3076 17.2802 1.1753 5.8144 4.5699 3.0998 0.1250 0.0047 8.1242 16.3776 15.3347 11.4745 8.2998 1.4501 36.6650 15.3313 40.1524 3.3672 269.5670 11.8826 142.9890 18.8443 2.7305 23.5514 39.5979 11.5279 60.8200 23.9376 34.3160 12.1562 9.2817 58.2297 65.3374 842.7136 5.1038 29.0847 2.0615 24.7217 2.3789 0.3870 20.0672 73.1154 28.4934 20.1604 12.6350 16.8832 24.4427 5.2713 55.7400 22.8464 15.8862 1.5497 46.5889 83.2929 20.7740 723.2985 84.6362 44.5838 0.2615 53.9103 3.8256 9.7575 8.7878 17.7833 3.1547 6.8891 2.0015 4.2312 25.1334 154.3504 6.8571 8.7830 6.8363 39.5665 116.9404 1054.1737 174.2007 27.5348 23.9495 9.3872 4.2434 3.3548 5.6869 12.9987 4.2251 4.8907 17.9864 6.9149 8.4923 8.3367 31.7548 7.2265 6.0855 7.7956 19.3307 15.3951 2.3684 2.0428 9.6716 4.8288 7.8050 7.1486 58.1842 0.5018 124.8989 111.9655 0.1349 0.2029 0.3548 7.6078 3.2241 2.9834 2.1887 1.5529 0.2703 2.0983 2.2235 1.1303 0.6478 0.4497 0.8667 0.0554 0.1609 1.8241 1.4052 0.6221 0.6811 0.3428 0.2688 0.1183 0.2810 1.1453 0.3035 0.5201 0.3736 1.0730 0.6118 1.5357 0.5723 3.1553 0.7544 0.4579 0.4022 2.0041 0.9377 1.0800 1.0199 2.5334 0.9421 2.4133 1.5118 1.5550 0.6368 1.0679 0.7871 0.0787 3.1834 8.8390 8.4795 6.5585 1.8720 1.1313 0.5397 13.6898 5.6206 2.0949 0.8843 4.3483 1.8990 7.5342 0.5957 1.6180 0.7887 5.0279 30.4342 3.4797 2.2593 2.1498 18.8735 6.3931 2.0829 1.7335 0.7097 2.3072 2.2608 4.0093 2.4103 4.6592 3.6499 0.2847 3.5557 0.2459 17.8506 18.4715 0.1178 15.7914 0.5680 7.3922 11.4860 2.0843 2.4675 5.4917 2.7821 1.4438 13.3494 5.9687 2.4199 1.7978 6.2078 7.4682 0.5123 3.4122 5.0259 7.2820 8.7675 3.3739 8.9787 75.6199 4.0699 0.6335 71.8640 6.3444 19.5021 11.6532 10.9988 16.9796 11.3649 7.3910 5.2895 9.8182 10.4171 4.6996 6.6293 2.0438 8.1263 4.9771 0.9519 6.4600 1.5444 1.3321 1.2077 2.9722 0.9464 0.6801 14.3610 13.1979 15.0616 25.2084 13.5737 1.9558 1.8396 13.6331 2.0405 7.3582 10.1095 3.5338 7.6883 10.5750 0.2326 5.9599 39.2760 147.1898 66.1730 129.1231 6.1631 11.1876 59.0633 20.2022 141.7450 18.7270 113.3999 25.4494 51.0925 36.1960 54.9226 11.5975 34.8178 69.9909 96.7905 65.7358 55.5260 52.9161 75.4665 56.4641 58.7555 27.0513 57.1111 134.6138 113.6782 28.7621 252.3109 136.0402 84.8242 24.9445 56.1877 0.7344 0.7500 0.7495 0.7499 0.7499 0.7279 0.7475 0.7281 0.6878 0.7389 0.7471 0.7457 0.6872 0.7491 0.0745 0.7499 0.1832 0.4838 0.1903 0.4277 0.5819 0.3139 0.7452 0.6445 0.7357 0.7500 0.4938 0.4814 0.3768 0.4856 0.5316 0.7352 0.7052 0.7374 0.4710 0.2233 0.1708 0.1194 0.6837 0.7341 0.5725 0.7219 0.7465 0.2764 0.7494 0.1022 0.7047 0.4020 0.5887 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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 3815.9008 77187.4456 77725.7987 1.00000 0.00184 0.00107 -0.00193 0.99622 0.08682 -0.00091 -0.08682 0.99622 1 0.02270 0.00112 0.00111 0.47295 0.02338 0.02322 10.36 11.77 19.59 30.50 37.53 39.91 50.34 69.67 83.20 91.41 102.22 143.57 160.15 182.78 211.10 221.92 230.49 258.67 291.08 304.70 335.86 354.20 384.36 390.47 399.69 416.35 424.85 445.34 469.40 488.79 511.42 585.11 597.14 603.33 635.56 662.68 663.73 680.22 704.05 708.98 720.01 742.11 771.62 796.17 809.79 843.32 852.15 871.96 906.49 916.67 969.30 981.25 986.72 1004.36 1059.70 1129.58 1161.21 1168.55 1175.90 1184.65 1197.66 1204.66 1217.22 1218.85 1238.66 1253.92 1261.62 1266.73 1308.49 1322.64 1347.14 1359.08 1374.37 1400.01 1404.82 1410.35 1441.30 1482.44 1488.19 1522.03 1537.78 1541.90 1546.82 1550.80 1563.18 1573.25 1588.43 1595.04 1605.32 1613.61 1614.11 1626.83 1683.73 1684.97 1717.92 1737.49 1742.63 1753.37 1754.74 1770.42 1774.45 1821.63 1833.56 1857.37 1866.20 1868.45 1880.63 1888.53 1890.52 1906.02 1911.23 1937.62 1959.34 1989.22 2007.95 2019.91 2032.57 2039.26 2045.29 2060.42 2086.78 2094.84 2102.99 2110.64 2124.54 2131.40 2152.70 2169.88 2206.43 2210.60 2214.60 2229.51 2250.77 2254.75 2259.89 2264.91 2269.22 2298.53 2304.02 2311.30 2333.90 2335.64 2345.01 2353.88 2359.10 2359.45 2364.08 2365.89 2368.91 2368.95 2370.20 2389.70 2442.08 2568.43 2586.78 2609.93 2624.18 2673.88 2842.34 2962.23 4618.50 4633.64 4642.95 4650.14 4653.68 4681.37 4682.56 4694.49 4706.66 4721.55 4729.66 4735.52 4742.42 4744.65 4777.35 4788.48 4814.83 4825.55 4830.62 4851.40 4859.47 4879.88 4892.48 4899.94 4904.97 4906.82 4953.83 5188.84 5591.74 0.575494 0.605241 0.606185 0.506900 -1716.900486 -1716.870739 -1716.869795 -1716.969080 3.330035D-04 MUNgauss RevisionA2.1 retrievium 11-Jun-2021 DUDE C[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCC(CC2)c3nc4ccccc4o3)CCc5ccc(cc5)OC(F)F C23384927 RHF 6-31G(d) (6D,10F) C1 499.215687 |X|Y|Z| 197.986330 33.222696 36.863704 62.357642 29 6 7 8 24 4 1 |36.858105| |12.438679|36.858105| |7.612481|12.463561|36.858105| |6.207024|7.785437|16.100719|73.516695| |5.586117|8.140715|13.730771|14.849590|53.358707| |5.567556|8.096170|8.260271|9.853444|18.583412|36.858105| |4.230467|5.398120|5.540197|7.511369|11.400109|15.858209|73.516695| |7.681470|12.988142|8.283550|9.777009|11.833945|14.289885|14.681111|53.358707| |4.011092|5.117012|7.622113|11.666231|18.213376|7.733504|12.092737|7.320860|36.858105| |3.516083|4.090559|5.314962|8.411638|10.792025|6.352655|11.765991|6.147262|12.719838|53.358707| |3.550904|4.153175|5.004335|7.530818|10.414468|7.418975|16.041442|6.744940|9.477426|25.552324|0.500000| |2.765576|3.150286|3.900223|6.554304|6.968413|4.420254|8.513481|4.638288|7.697449|17.252391|0.257635|36.858105| |2.447783|2.678724|3.138847|5.280677|5.318711|3.641506|7.232269|3.983494|4.983387|10.414540|0.197682|12.507964|36.858105| |2.489064|2.619888|3.058587|5.238964|4.963862|3.359281|6.395633|3.803990|4.370042|8.816842|0.162999|7.530972|12.402225|36.858105| |3.018883|3.117890|3.653264|6.115915|5.987626|4.048443|7.539873|4.551633|4.960440|10.424498|0.197586|6.514397|7.586806|12.402322|36.858105| |3.666943|3.927568|5.028619|8.372715|8.682258|5.192375|9.003255|5.590499|7.607094|17.259670|0.256641|7.677847|6.516102|7.539427|12.510051|36.858105| |2.166128|2.236666|2.511083|4.299680|3.951773|2.786699|5.357308|3.260166|3.294032|6.006962|0.119871|4.940627|7.605314|12.739766|7.602384|4.942263|36.858105| |1.941705|1.983827|2.212929|3.854373|3.385938|2.373462|4.479011|2.841532|2.791041|4.795644|0.094294|3.943063|5.415051|7.714593|5.416827|3.946438|15.078107|53.358707| |1.786754|1.814285|1.977855|3.415980|3.005559|2.160585|4.114637|2.621000|2.416035|4.043682|0.082183|3.236829|4.283779|5.327848|4.283391|3.237742|9.058977|18.548001|36.858105| |1.594131|1.608225|1.735555|3.017574|2.593272|1.868792|3.526541|2.304372|2.059676|3.330707|0.067620|2.640612|3.298900|3.878701|3.298913|2.641472|5.492309|10.212243|13.737601|36.858105| |1.505168|1.515009|1.611213|2.782516|2.401064|1.757770|3.335373|2.185145|1.879978|3.000419|0.061949|2.342700|2.868006|3.229204|2.867447|2.342749|4.323894|6.969927|8.068527|13.783006|36.858105| |1.559595|1.573196|1.657766|2.829899|2.490642|1.853796|3.564026|2.299903|1.934117|3.103580|0.065375|2.395334|2.948526|3.243783|2.947173|2.394544|4.314138|6.298652|6.940677|7.847892|13.615319|36.858105| |1.735820|1.761596|1.861510|3.145052|2.842540|2.132754|4.163774|2.609710|2.214296|3.642448|0.077948|2.802491|3.567145|3.929634|3.564504|2.800787|5.448804|7.250356|7.825377|6.683584|7.836198|13.762795|36.858105| |1.874549|1.910937|2.059323|3.494772|3.175149|2.337621|4.548824|2.816493|2.524418|4.286542|0.090246|3.364072|4.538889|5.359801|4.535814|3.362824|8.895852|11.528121|13.811510|7.939651|7.026245|8.159483|13.824173|36.858105| |2.132363|2.199354|2.403583|4.034630|3.805158|2.796096|5.527295|3.281726|3.074202|5.515835|0.117621|4.333054|6.366785|7.857997|6.358580|4.329873|14.144496|11.699654|8.629860|5.406947|4.697392|5.212891|7.695466|13.952293|73.516695| |7.403345|12.356319|7.649207|11.086487|7.648240|5.571182|7.490070|10.383006|4.133067|4.476359|0.091892|2.702454|2.307434|2.223638|2.535916|3.084113|1.929971|2.365938|1.601505|1.437281|1.360596|1.407967|1.559219|1.675775|3.374072|36.858105| |6.046329|7.336755|4.882323|7.461211|5.564127|4.417975|6.427151|8.283197|3.200534|3.689561|0.077419|2.289504|2.017666|1.951578|2.206601|2.571767|1.734448|2.140666|1.470684|1.331468|1.273456|1.324318|1.459445|1.546673|3.075763|12.397162|36.858105| |4.180254|4.854789|3.805651|6.194617|4.483999|3.446102|5.264767|5.794863|2.744828|3.180305|0.066082|2.040119|1.804673|1.734233|1.915759|2.201538|1.554142|1.937084|1.335308|1.218550|1.167976|1.210108|1.322978|1.396074|2.749185|7.552421|12.578097|36.858105| |3.389996|4.026785|3.344776|5.427757|4.162662|3.253368|5.144181|5.219961|2.625201|3.055924|0.063969|1.996226|1.768019|1.673894|1.821576|2.072168|1.506666|1.877880|1.299552|1.187676|1.142038|1.186118|1.296356|1.362467|2.677926|5.659580|7.528071|13.700043|36.858105| |2.767356|3.168020|2.772732|4.645364|3.487546|2.666153|4.314545|4.104545|2.277101|2.684689|0.055761|1.791395|1.598331|1.514073|1.625858|1.829096|1.372970|1.725364|1.197419|1.101565|1.060944|1.098106|1.192055|1.248962|2.434824|4.169770|5.007439|7.894845|13.799975|36.858105| |2.626816|2.900085|2.573251|4.427237|3.175611|2.374021|3.827929|3.640170|2.089270|2.478530|0.050968|1.660243|1.488154|1.424706|1.529015|1.716209|1.295622|1.639071|1.136972|1.050537|1.010719|1.041243|1.124410|1.178611|2.285940|3.768305|4.427648|6.832385|7.959781|13.752055|36.858105| |2.937455|3.156452|2.757775|4.801691|3.302065|2.438562|3.866302|3.806700|2.142749|2.537601|0.051894|1.681781|1.506882|1.458533|1.580099|1.783488|1.323037|1.675163|1.158788|1.070087|1.027032|1.055729|1.139766|1.198114|2.325512|4.181596|4.998424|7.860170|6.876643|7.932807|13.769463|36.858105| |3.722645|4.012432|3.324189|5.687581|3.864739|2.870139|4.439409|4.657449|2.428952|2.848053|0.058404|1.850159|1.648460|1.601294|1.759653|2.008713|1.442697|1.815065|1.251556|1.149289|1.100837|1.134119|1.230992|1.298360|2.537006|5.710719|7.544816|13.742205|8.006829|6.919152|7.984737|13.741179|36.858105| |2.212018|2.411125|2.198894|3.823912|2.759329|2.052873|3.366316|3.074631|1.854809|2.226728|0.045692|1.513985|1.366655|1.307418|1.389007|1.543673|1.196731|1.522508|1.059438|0.983838|0.948386|0.975137|1.047927|1.095097|2.111072|2.987500|3.360293|4.584553|5.292455|8.215051|13.891404|7.790226|5.177523|73.516695| |2.036442|2.171571|2.005674|3.540560|2.505890|1.844251|3.029477|2.743943|1.697983|2.054451|0.041926|1.403643|1.273741|1.227127|1.300797|1.439273|1.127358|1.442261|1.004215|0.936359|0.902442|0.924651|0.989229|1.033304|1.982674|2.630092|2.898292|3.750810|3.989891|5.302809|7.967530|6.559019|4.445643|25.123876|36.858105| |2.036147|2.123119|1.935742|3.409476|2.408744|1.782780|2.926778|2.677487|1.620846|1.978043|0.040467|1.345206|1.228851|1.192356|1.270338|1.399116|1.099813|1.408761|0.983609|0.918773|0.887270|0.909741|0.972002|1.012782|1.938557|2.541733|2.867800|3.652543|3.711138|4.625753|6.686632|6.467158|4.473430|15.289617|14.299739|97.533100| |2.086822|2.223990|2.086702|3.747404|2.576096|1.862971|3.037786|2.757801|1.753237|2.107014|0.042633|1.440469|1.300286|1.256010|1.330609|1.481199|1.148929|1.472484|1.020541|0.951123|0.913052|0.931963|0.996362|1.045369|2.007965|2.703568|2.879153|3.663205|3.727379|4.650585|6.709868|6.454896|4.475417|15.295015|14.292588|20.040356|97.533100| |17.599514|8.831228|6.830710|11.543893|6.537077|4.464729|6.265862|7.604191|3.669942|4.347825|0.087210|2.579951|2.281842|2.338175|2.788117|3.377546|2.040037|2.521776|1.699334|1.526909|1.437065|1.476227|1.627964|1.760640|3.526952|6.841340|5.533531|4.098273|3.260603|2.723370|2.657999|3.047400|3.867171|3.986235|2.092319|4.722533|4.896863|0.500000| |17.601922|8.800697|5.524197|8.261960|6.133206|4.847568|6.901400|9.367783|3.388598|4.155144|0.087439|2.465982|2.226841|2.255372|2.696591|3.143025|2.003424|2.456603|1.683353|1.512635|1.441579|1.501508|1.665727|1.776179|3.555556|6.645277|6.623287|4.419201|3.529676|2.855226|2.706150|3.040040|3.903343|4.027775|2.080030|4.741256|4.730107|0.300868|0.500000| |17.566755|8.780505|7.048013|10.366689|7.773048|5.660270|7.848510|9.532209|4.171246|5.235594|0.108180|2.956784|2.653878|2.763579|3.478782|4.231970|2.395244|2.900486|1.953476|1.729864|1.627509|1.688567|1.891152|2.055574|4.189897|5.428759|4.581885|3.401246|2.885858|2.412949|2.290912|2.516993|3.072111|3.500138|1.825815|4.105805|4.204026|0.300672|0.302129|0.500000| |6.639250|8.688260|5.822132|7.667479|8.265337|9.375505|12.867497|26.039092|4.299114|5.222506|0.119179|3.017557|2.679372|2.565653|3.035928|3.544411|2.253812|2.686863|1.847715|1.634792|1.565656|1.659699|1.880744|2.001331|4.102781|6.433863|6.146230|4.277171|3.906688|3.047594|2.675801|2.777095|3.390107|4.018017|2.008439|4.445976|4.479032|0.136426|0.190526|0.169496|0.500000| |3.493619|4.508213|6.020519|9.364009|12.521493|6.918931|11.880789|6.684416|17.647556|12.467736|0.224554|7.439050|4.790883|3.932823|4.172225|5.604496|3.063904|3.562744|2.296943|1.972661|1.813876|1.872690|2.138118|2.410868|5.165430|3.920473|3.104818|2.732525|2.690263|2.347817|2.126039|2.141627|2.396314|3.373311|1.724437|3.671120|3.990428|0.089190|0.084760|0.098052|0.112883|0.500000| |3.840089|4.708494|7.358614|13.459262|12.668198|5.701593|8.812567|6.139031|17.670117|12.258050|0.182246|6.786275|4.529918|4.168780|4.611692|7.069171|3.145640|3.721546|2.339025|2.011870|1.821307|1.847613|2.086313|2.387337|5.076587|3.947567|3.030120|2.647448|2.506006|2.205194|2.057294|2.128442|2.398127|3.261847|1.695259|3.635205|3.983560|0.102069|0.089118|0.110111|0.102145|0.298579|0.500000| |2.637190|3.075010|3.726040|6.178968|6.685078|4.407584|8.750239|4.604670|7.250246|12.370361|0.224323|17.628246|8.809314|5.484174|4.893504|5.610323|4.090425|4.593189|2.886080|2.407542|2.176342|2.243497|2.606367|3.035110|6.733571|2.709571|2.308298|2.079773|2.068451|1.860336|1.708068|1.710977|1.871388|2.775462|1.438922|3.084196|3.311806|0.068166|0.066077|0.076634|0.083862|0.235112|0.170525|0.500000| |2.668593|3.008865|3.809885|6.731598|6.409394|3.880878|7.072071|4.243124|7.077416|12.406872|0.181276|17.597207|8.769788|6.763736|5.746568|7.026792|4.531923|5.209629|3.080928|2.557357|2.242544|2.245865|2.567051|3.077747|6.767897|2.622915|2.205168|1.985367|1.932718|1.748935|1.636782|1.665141|1.823409|2.662714|1.396955|3.006698|3.250031|0.070680|0.065631|0.078726|0.076395|0.184591|0.204547|0.300778|0.500000| |2.436608|2.671840|3.034704|4.979412|5.199616|3.775130|7.901458|4.100499|4.620996|9.336155|0.207829|8.870640|17.550079|8.800529|6.784452|5.678914|6.982026|6.693555|4.225731|3.259562|2.925862|3.119129|3.904787|4.844621|12.601593|2.298261|2.037952|1.816396|1.790411|1.612783|1.491389|1.503330|1.646168|2.433009|1.270441|2.762328|2.899129|0.062240|0.062375|0.073355|0.077885|0.126672|0.111816|0.215688|0.173040|0.500000| |2.167616|2.364344|2.740673|4.692409|4.495584|3.085826|6.049944|3.468864|4.150017|7.602331|0.144618|8.977250|17.579963|8.788506|5.508616|4.894528|6.874236|7.410840|4.324929|3.391367|2.921615|2.950339|3.484437|4.398482|10.099899|2.087327|1.841522|1.672007|1.649745|1.507378|1.407801|1.419005|1.537537|2.316084|1.218041|2.637935|2.799648|0.056781|0.055222|0.064422|0.065430|0.115214|0.108771|0.212933|0.214320|0.303427|0.500000| |2.391693|2.504315|2.967289|5.244106|4.667397|3.059918|5.640946|3.532745|4.157660|7.741017|0.135264|6.797341|8.847543|17.569604|8.850847|6.812684|9.203771|10.189095|4.912790|3.747957|3.054491|2.960156|3.422579|4.528696|10.310778|2.152059|1.878675|1.683168|1.619786|1.474336|1.397158|1.434568|1.568797|2.286213|1.212827|2.648411|2.808473|0.063533|0.059863|0.073216|0.065829|0.103550|0.116620|0.139220|0.199144|0.173522|0.215124|0.500000| |3.049213|3.143778|3.530105|5.716514|5.870333|4.272560|8.341929|4.781391|4.604667|9.353028|0.207963|5.685617|6.787081|8.798950|17.547815|8.862329|6.975167|6.691920|4.223118|3.258176|2.924093|3.116222|3.899398|4.837933|12.571789|2.541350|2.248309|1.938290|1.850334|1.643342|1.535609|1.581345|1.765113|2.476043|1.299299|2.862165|2.970419|0.076554|0.077033|0.098076|0.090429|0.110871|0.113564|0.127799|0.132260|0.198231|0.138931|0.173530|0.500000| |2.947539|2.929382|3.375733|5.789664|5.216190|3.526125|6.361008|4.155840|4.125613|7.605763|0.144522|4.890971|5.508999|8.791102|17.578839|8.976726|6.875673|7.419273|4.326763|3.392934|2.921869|2.949391|3.482129|4.396584|10.089981|2.395069|2.103052|1.829793|1.725601|1.547175|1.468072|1.527499|1.699800|2.375425|1.259069|2.780286|2.903519|0.076767|0.073359|0.095588|0.077763|0.097052|0.111243|0.107773|0.128970|0.138933|0.123209|0.215211|0.303353|0.500000| |3.447574|3.660691|4.835082|8.743904|7.660909|4.370421|7.343884|4.932578|7.003861|12.427374|0.181059|7.047683|5.768709|6.791836|8.772542|17.600709|4.542152|5.222690|3.085645|2.560807|2.244536|2.247041|2.568042|3.080386|6.773728|2.965382|2.452518|2.132006|2.000345|1.783089|1.689512|1.762796|1.973558|2.712563|1.431447|3.124218|3.340958|0.091589|0.081550|0.108126|0.086943|0.145508|0.214567|0.144328|0.213267|0.132491|0.129510|0.200395|0.172955|0.213901|0.500000| |4.523201|4.700465|5.990638|9.548946|9.980690|5.991192|9.686672|6.617698|7.131023|12.364258|0.222505|5.609557|4.888560|5.485860|8.801498|17.659301|4.088090|4.595907|2.885063|2.407300|2.174879|2.240248|2.600823|3.029921|6.716590|3.478429|2.873842|2.397034|2.217517|1.933344|1.815217|1.905136|2.177621|2.875671|1.505848|3.311247|3.483157|0.112811|0.104722|0.153264|0.114348|0.144188|0.181028|0.126666|0.144204|0.127390|0.107755|0.139571|0.214657|0.213132|0.301429|0.500000| |1.528454|1.538973|1.667438|2.927466|2.467671|1.760211|3.286643|2.181791|1.964735|3.133239|0.062760|2.493064|3.037864|3.567083|3.038445|2.494487|4.742138|9.030531|8.867206|17.744446|8.854797|5.589762|4.854946|5.639494|7.776104|1.383076|1.279340|1.175929|1.144779|1.065622|1.020281|1.040620|1.114637|1.702494|0.914265|2.017907|2.094986|0.040971|0.040209|0.045909|0.042863|0.052240|0.053967|0.063153|0.068438|0.081439|0.087780|0.099901|0.081423|0.087844|0.068546|0.063183|0.500000| |1.393486|1.398560|1.480821|2.568037|2.186871|1.599916|3.016637|2.005887|1.703768|2.674937|0.055056|2.080645|2.484394|2.755809|2.484059|2.080788|3.510546|5.589709|5.700684|8.954207|17.732899|8.914343|5.620102|5.032715|6.603119|1.265302|1.189590|1.096610|1.073138|1.001138|0.956518|0.971646|1.037731|1.600748|0.859094|1.902405|1.955378|0.037124|0.037200|0.041651|0.040021|0.045805|0.046093|0.054133|0.055825|0.069984|0.070634|0.073693|0.069950|0.070644|0.055872|0.054106|0.213595|0.500000| |1.471081|1.480906|1.545361|2.634085|2.308278|1.731342|3.326148|2.167080|1.775626|2.805443|0.059399|2.146068|2.577272|2.772003|2.576017|2.145162|3.501911|4.996192|4.988537|5.623431|8.907118|17.731656|8.960257|5.741300|7.407331|1.333732|1.264411|1.159394|1.139136|1.057352|1.002925|1.015147|1.087715|1.673653|0.893319|1.980612|2.020704|0.038686|0.039609|0.044034|0.043740|0.047999|0.047071|0.056520|0.055947|0.076160|0.071565|0.070748|0.076090|0.071535|0.055965|0.056430|0.123598|0.216719|0.500000| |1.768545|1.798924|1.878922|3.142076|2.882522|2.203697|4.357986|2.699902|2.219014|3.631017|0.079372|2.747500|3.432483|3.640777|3.429099|2.744857|4.698511|5.896800|5.588634|4.855330|5.580748|8.829593|17.749082|8.850941|12.034191|1.591399|1.499429|1.356171|1.332766|1.222472|1.148386|1.161304|1.255806|1.900417|1.006181|2.226239|2.271802|0.045736|0.047459|0.053444|0.054544|0.059847|0.057388|0.071997|0.068910|0.107991|0.091607|0.086971|0.107806|0.091512|0.068910|0.071789|0.105895|0.123471|0.213254|0.500000| |6.807372|8.908178|7.063885|11.995154|6.698998|4.520584|6.305869|7.623507|3.833115|4.169224|0.083427|2.560390|2.188939|2.134447|2.417762|2.942952|1.853726|2.294815|1.547443|1.395396|1.316258|1.352073|1.487149|1.602507|3.205849|17.573585|8.822740|6.862972|5.024883|3.971119|3.805680|4.426444|6.072220|5.388369|2.726786|5.931241|6.483948|0.205512|0.164030|0.140689|0.133955|0.099827|0.106845|0.070640|0.070515|0.059752|0.055434|0.058222|0.066217|0.064265|0.080773|0.091538|0.037525|0.034108|0.035551|0.041880|0.500000| |5.462808|8.872505|7.192902|10.502332|7.972547|5.762166|7.892007|9.616758|4.457353|4.653966|0.095500|2.850714|2.390546|2.251078|2.519129|3.071515|1.943790|2.377237|1.606145|1.439171|1.361293|1.409088|1.562599|1.681629|3.395440|17.541100|8.866639|7.030989|6.110909|4.482016|3.877269|4.068662|5.192520|5.504310|2.676717|5.677219|6.183457|0.140899|0.137625|0.123111|0.164460|0.123200|0.116745|0.081217|0.076684|0.066173|0.060377|0.060486|0.069977|0.065115|0.082155|0.093519|0.038459|0.035141|0.037055|0.044317|0.303667|0.500000| |5.508627|6.766236|4.545100|6.721492|5.571659|4.772027|7.095597|9.255098|3.199381|3.756190|0.080676|2.326984|2.067113|1.983412|2.244348|2.583372|1.771859|2.174054|1.502564|1.357469|1.304585|1.366423|1.513001|1.595024|3.178923|8.805683|17.532654|8.929227|7.163007|4.739699|3.986789|4.210683|5.676476|5.550291|2.672504|5.947570|5.850526|0.131396|0.173552|0.122629|0.213801|0.087309|0.081873|0.065649|0.061292|0.058793|0.052243|0.052443|0.064523|0.058947|0.067226|0.080021|0.036047|0.033791|0.036318|0.043491|0.173202|0.210039|0.500000| |6.687108|6.649098|4.470052|7.028915|5.034063|3.945916|5.818574|7.303194|2.926393|3.462491|0.072411|2.149736|1.921648|1.889908|2.153842|2.484456|1.691985|2.098219|1.445683|1.313393|1.257907|1.306639|1.435150|1.517350|3.001197|8.805960|17.569591|8.929725|5.685739|4.226762|3.989141|4.724927|7.138807|5.519197|2.762432|6.332264|6.192820|0.175137|0.227395|0.136660|0.153528|0.077392|0.077874|0.059423|0.057750|0.053822|0.048710|0.050651|0.060980|0.057819|0.065993|0.077945|0.035095|0.032700|0.034701|0.040913|0.212416|0.173662|0.303480|0.500000| |3.373929|4.131100|3.427850|5.413288|4.427116|3.584410|5.747815|5.718688|2.784080|3.244908|0.068865|2.115736|1.871474|1.752782|1.905659|2.163508|1.576455|1.952879|1.353723|1.232731|1.187408|1.239201|1.361011|1.428500|2.819816|5.509336|6.962183|8.891576|17.694673|8.980093|5.665901|4.952322|5.667025|7.627629|3.345911|7.022401|7.049468|0.087467|0.097371|0.081017|0.121297|0.080454|0.072312|0.061497|0.056237|0.053106|0.048378|0.046748|0.054203|0.049697|0.057367|0.064117|0.032878|0.030917|0.033063|0.039042|0.128094|0.174028|0.214405|0.143876|0.500000| |2.460535|2.815931|2.520189|4.220980|3.249810|2.497902|4.126288|3.753731|2.160921|2.569747|0.053551|1.736381|1.555676|1.463498|1.557197|1.737686|1.332979|1.677148|1.167633|1.076205|1.039012|1.076637|1.167326|1.219250|2.370701|3.542656|4.076827|5.618126|8.887001|17.742764|8.969577|5.659892|4.978097|13.583302|4.959894|9.478424|9.527223|0.066768|0.070181|0.060713|0.077751|0.062674|0.057897|0.050487|0.046981|0.043751|0.040980|0.039535|0.043809|0.041035|0.046993|0.050555|0.028907|0.027264|0.028852|0.033300|0.093006|0.107756|0.112091|0.097184|0.215367|0.500000| |2.694337|2.815059|2.510648|4.451544|3.005079|2.195159|3.500909|3.383349|1.973186|2.358547|0.047979|1.573092|1.417441|1.380908|1.491744|1.674751|1.257586|1.601078|1.108381|1.027595|0.986168|1.010457|1.086203|1.141087|2.204404|3.575040|4.093001|5.629287|4.960817|5.637780|8.881185|17.803448|8.944809|12.367397|7.143492|17.446931|17.213833|0.078996|0.077138|0.064927|0.068323|0.054481|0.054959|0.044237|0.043515|0.039140|0.037207|0.037906|0.041314|0.040311|0.046279|0.049570|0.027839|0.025982|0.027010|0.030661|0.107738|0.095540|0.097197|0.112414|0.107629|0.124283|0.500000| 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