Version2.1 2020-12-16T19:15:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(ccc1OCC(=[NH2+])NNS(=O)(=O)c2ccc(s2)Cc3c(cc(cn3)C(F)(F)F)Cl)Cl C01397385 RHF 6-31G(d) (6D,7F) c1cc(ccc1OCC(=[NH2+])NNS(=O)(=O)c2ccc(s2)Cc3c(cc(cn3)C(F)(F)F)Cl)Cl C01[X(C19H16Cl2F3N4O3S2)] 141 C1 543 Clc1ccc(cc1)OCC(=[NH2+])NNS(=O)(=O)c1ccc(s1)Cc1ncc(cc1Cl)C(F)(F)F Clc1ccc(cc1)OCC(=[NH2+])NNS(=O)(=O)c1ccc(s1)Cc1ncc(cc1Cl)C(F)(F)F FC(F)(F)c1cnc(Cc2sc(cc2)[S](=O)(=O)NNC(=[NH2+])COc3ccc(Cl)cc3)c(Cl)c1 InChIKey=WBGZAWYKYUIJJX-UHFFFAOYSA-O InChI=1S/C19H15Cl2F3N4O3S2/c20-12-1-3-13(4-2-12)31-10-17(25)27-28-33(29,30)18-6-5-14(32-18)8-16-15(21)7-11(9-26-16)19(22,23)24/h1-7,9,28H,8,10H2,(H2,25,27)/p+1 InChI=1/C19H15Cl2F3N4O3S2/c20-12-1-3-13(4-2-12)31-10-17(25)27-28-33(29,30)18-6-5-14(32-18)8-16-15(21)7-11(9-26-16)19(22,23)24/h1-7,9,28H,8,10H2,(H2,25,27)/p+1/fC19H16Cl2F3N4O3S2/h27H,25H2/q+1 c1cc(ccc1OCC(=[NH2+])NNS(=O)(=O)c2ccc(s2)Cc3c(cc(cn3)C(F)(F)F)Cl)Cl C01[X(C19H16Cl2F3N4O3S2)] 141 C01 543 Clc1ccc(cc1)OCC(=[NH2+])NNS(=O)(=O)c1ccc(s1)Cc1ncc(cc1Cl)C(F)(F)F [NH2][C]([NH]NS(=O)(=O)C1=[CH][CH]=[C](S1)C[C]1[N][CH][C]([CH][C]1Cl)C(F)(F)F)CO[C]1[CH][CH][C]([CH][CH]1)Cl N[C](CO[C]1[CH][CH][C](Cl)[CH][CH]1)NN[S](=O)(=O)c2sc(C[C]3[N][CH][C]([CH][C]3Cl)C(F)(F)F)cc2 InChIKey=GHKDRKJXYBVSKX-UHFFFAOYSA-N InChI=1S/C19H16Cl2F3N4O3S2/c20-12-1-3-13(4-2-12)31-10-17(25)27-28-33(29,30)18-6-5-14(32-18)8-16-15(21)7-11(9-26-16)19(22,23)24/h1-7,9,27-28H,8,10,25H2 InChI=1/C19H16Cl2F3N4O3S2/c20-12-1-3-13(4-2-12)31-10-17(25)27-28-33(29,30)18-6-5-14(32-18)8-16-15(21)7-11(9-26-16)19(22,23)24/h1-7,9,27-28H,8,10,25H2 3922.5358968824 -3183.1767364 1-A 33134.1010 137 406 543 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538.99930 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| 3.6824 8.1367 9.7087 13.0441 14.7822 22.6796 29.2244 46.6491 54.1794 63.5166 70.5334 90.3768 112.5292 119.7334 128.0835 146.2960 157.0789 163.1738 184.3197 224.3374 226.1736 249.8341 272.3022 288.8062 292.9284 311.9645 341.6107 345.2146 354.8297 369.5428 381.4074 408.0480 435.0886 439.8524 461.1619 461.3936 481.4622 495.2216 509.9627 518.5468 532.3030 553.7022 567.3918 569.1561 581.4511 606.3729 622.7713 637.0997 643.6018 649.2774 669.5523 695.4518 697.7430 705.4180 719.0191 746.8809 752.1530 753.1768 768.8506 776.5894 790.1251 802.8927 810.4239 827.5924 897.3676 912.4152 913.8503 931.5875 941.3974 955.4276 979.2466 1015.9430 1016.8899 1069.6185 1070.7123 1072.7376 1097.7423 1099.1470 1110.2351 1120.0540 1154.6923 1166.7967 1168.5006 1170.8245 1182.1959 1191.3047 1214.0158 1216.6433 1221.0653 1241.4264 1278.5166 1280.7863 1301.3828 1304.4290 1324.0827 1357.5136 1372.2949 1378.8142 1389.2708 1397.5922 1399.9198 1426.8943 1452.6444 1477.4184 1484.9600 1487.0683 1494.3775 1512.6294 1562.8964 1568.7304 1582.5120 1603.8718 1608.9411 1630.9411 1638.5242 1646.1448 1675.4737 1709.4863 1750.4231 1769.1217 1785.6109 1787.9023 1807.0183 1825.2788 1877.9068 3212.9924 3263.8298 3270.7404 3323.9114 3390.8983 3394.3019 3402.4929 3411.8457 3413.9648 3419.3049 3421.7778 3431.0622 3777.2637 3785.9161 3797.7004 3901.5681 13.3207 13.6920 8.2832 9.5889 5.0011 10.2419 12.4253 7.3449 8.2548 6.7859 5.8745 6.8120 5.0199 3.8065 11.8067 9.3382 11.0218 7.7286 8.2743 9.2687 8.4078 6.3571 9.4500 5.6429 6.7329 8.7672 8.9836 5.8972 4.4822 6.8046 4.6072 6.3380 4.7509 8.3989 7.3748 3.1025 7.8338 4.1687 6.1634 5.3457 3.9851 3.0461 2.6614 7.4931 2.6209 3.6238 2.2047 5.2176 2.4389 5.7175 3.3879 7.0150 7.8551 6.7739 7.4608 4.6401 1.4921 2.7160 6.1947 3.5416 1.9637 3.3509 3.4632 7.0326 3.9156 5.5913 1.2994 2.3235 1.5190 2.1350 3.0877 3.0690 2.0526 1.3744 1.5264 1.4613 1.3814 1.3450 3.2679 2.2556 1.8030 2.4710 4.4371 4.8394 2.7609 2.6831 2.7786 4.5887 3.9336 3.3058 15.3870 2.7253 1.5792 1.2078 3.0707 2.0507 12.3334 4.9450 1.7143 5.4356 1.0740 1.7250 1.2894 2.3687 1.7062 1.8252 1.9747 7.1516 3.3648 2.6239 1.5263 1.5578 4.2573 1.3042 2.8529 1.1208 2.2007 1.3539 5.3588 7.0293 3.2187 4.0503 5.5750 5.9831 2.8175 1.0567 1.1080 1.0623 1.1055 1.0902 1.0916 1.0939 1.0959 1.0967 1.0936 1.0946 1.0989 1.0489 1.0785 1.0784 1.1084 0.0001 0.0005 0.0005 0.0010 0.0006 0.0031 0.0063 0.0094 0.0143 0.0161 0.0172 0.0328 0.0375 0.0322 0.1141 0.1178 0.1602 0.1212 0.1656 0.2748 0.2534 0.2338 0.4128 0.2773 0.3404 0.5027 0.6177 0.4141 0.3325 0.5475 0.3949 0.6218 0.5299 0.9574 0.9241 0.3891 1.0699 0.6024 0.9444 0.8469 0.6653 0.5502 0.5048 1.4301 0.5221 0.7850 0.5038 1.2478 0.5952 1.4201 0.8948 1.9990 2.2532 1.9860 2.2726 1.5250 0.4973 0.9078 2.1575 1.2585 0.7223 1.2727 1.3402 2.8379 1.8578 2.7425 0.6393 1.1881 0.7931 1.1482 1.7445 1.8663 1.2506 0.9264 1.0310 0.9908 0.9808 0.9574 2.3733 1.6672 1.4164 1.9821 3.5695 3.9086 2.2734 2.2436 2.4128 4.0019 3.4556 3.0017 14.8190 2.6340 1.5758 1.2108 3.1719 2.2266 13.6845 5.5390 1.9495 6.2554 1.2402 2.0693 1.6031 3.0463 2.2167 2.3781 2.5982 9.6409 4.8425 3.8044 2.2520 2.3611 6.4932 2.0440 4.5128 1.7895 3.6399 2.3311 9.6740 12.9621 6.0464 7.6282 10.7256 11.7445 5.8542 6.4272 6.9542 6.6957 7.1963 7.3855 7.4096 7.4615 7.5163 7.5312 7.5334 7.5510 7.6220 8.8177 9.1081 9.1640 9.9411 0.2675 0.2233 0.4082 0.7085 0.1844 0.3559 0.1267 2.0653 5.3054 4.3943 1.3596 0.5571 11.1438 2.4091 1.7825 2.9391 2.1684 4.0469 1.1208 3.4391 2.9546 0.5630 0.3284 0.9478 2.7532 0.5503 8.6728 8.4990 4.1929 0.7138 0.4355 2.6606 3.3252 4.0923 7.7344 0.3845 4.8161 4.0203 2.1772 2.6663 8.6985 32.1021 12.3038 2.6729 7.6309 17.6798 42.1719 17.1300 8.7732 123.6862 149.4880 0.8804 4.4957 72.3017 3.3185 30.3946 166.6742 314.7194 13.7030 0.3958 52.2130 54.4558 260.4548 22.6262 9.1134 28.9767 17.3295 41.0277 73.1932 47.3774 8.4898 11.6220 2.4228 0.1660 18.0975 1.8754 0.1400 0.0444 26.8525 120.6298 0.7559 8.5284 36.5583 23.6281 40.2950 8.0578 77.0782 39.7946 100.5228 22.9023 254.1043 46.6624 4.6535 26.7305 43.6970 28.6875 293.1326 146.6232 33.7480 460.4420 0.7337 41.1048 1.5713 413.8642 56.7914 19.2808 75.0740 233.0570 84.4383 0.5505 29.9250 55.1723 133.1383 11.3652 10.3843 45.5451 222.7977 27.0681 21.3962 25.1384 201.9337 111.4727 10.0253 83.0028 432.0561 22.0696 5.7375 4.0413 1.7401 17.7687 2.1521 5.9686 2.3514 0.7032 0.2262 1.0444 2.8788 264.7503 78.6813 36.7614 268.9079 0.8802 0.6228 1.6840 0.2822 8.3457 0.8079 1.9766 4.9418 0.3757 1.2486 0.3445 1.0438 0.9618 0.7862 0.5234 0.1359 0.5643 1.9478 0.7486 1.3480 2.2606 0.8371 1.9042 1.0831 2.7783 2.1060 2.8960 0.6439 2.3881 3.3049 1.4940 2.1169 1.0671 2.3216 4.6606 0.3554 1.5323 0.5757 3.6352 2.1821 0.9304 0.4118 0.7007 0.3645 3.2080 1.4708 1.1396 0.5865 0.8517 2.3639 12.1801 7.3149 1.1009 3.1337 9.5635 2.3416 0.9345 3.2374 13.8210 0.7870 4.2796 8.5250 15.6262 2.4838 2.6761 11.7703 2.2300 12.6653 1.0547 3.4731 18.8391 21.2939 0.7432 1.8207 1.5350 4.4384 1.0062 0.1849 0.5799 8.0504 0.2189 4.0276 8.0960 7.7416 14.3535 0.7599 8.9775 16.5544 7.7352 4.0936 12.7725 3.6958 12.5265 5.1093 5.4563 6.0060 3.6656 3.7393 5.7694 13.6938 10.7318 3.6886 1.3906 2.6461 7.0814 2.3880 7.3319 5.5954 0.2864 2.3645 2.1884 14.1085 268.4784 14.7172 6.4697 6.4326 0.6501 2.3930 12.5648 6.2305 10.8466 0.8727 37.6064 44.8187 12.3097 73.0088 28.2113 89.2178 38.5338 44.3832 66.2674 102.1291 59.4715 153.7076 58.7730 61.9000 123.1998 28.8550 63.5745 76.0426 28.3837 0.7451 0.7478 0.7473 0.7483 0.7481 0.7094 0.7414 0.7498 0.6890 0.7430 0.6189 0.7473 0.4215 0.5445 0.6335 0.7129 0.4782 0.7412 0.4042 0.2382 0.4779 0.6080 0.4247 0.7488 0.1678 0.7331 0.6145 0.6513 0.1899 0.7477 0.7496 0.6759 0.5899 0.7416 0.3912 0.4989 0.4943 0.4744 0.6409 0.5986 0.7493 0.4852 0.7472 0.4888 0.2712 0.4592 0.6450 0.6956 0.4225 0.7399 0.2041 0.7397 0.5782 0.2424 0.1290 0.3366 0.7248 0.7172 0.1229 0.7341 0.2010 0.1466 0.3464 0.5224 0.2749 0.2225 0.7440 0.0714 0.7463 0.0314 0.1582 0.1091 0.6330 0.7439 0.7455 0.6393 0.6987 0.7496 0.1799 0.4075 0.2561 0.2002 0.5997 0.5065 0.3369 0.4056 0.0958 0.3613 0.1301 0.4079 0.0458 0.2163 0.6726 0.3588 0.4361 0.4241 0.6596 0.4916 0.3234 0.1628 0.7448 0.2640 0.7151 0.5573 0.6436 0.4435 0.0756 0.4774 0.7036 0.2230 0.5156 0.4984 0.3386 0.7023 0.2991 0.7213 0.3202 0.3901 0.6991 0.2403 0.6678 0.6450 0.5465 0.5045 0.3335 0.0313 0.7237 0.0946 0.7488 0.3601 0.6625 0.2787 0.1881 0.1733 0.7411 0.2935 0.1589 0.1813 0.2702 0.0981 0.7225 0.8540 0.8557 0.8554 0.8561 0.8559 0.8300 0.8515 0.8570 0.8159 0.8525 0.7646 0.8554 0.5930 0.7051 0.7757 0.8324 0.6470 0.8514 0.5757 0.3848 0.6468 0.7562 0.5962 0.8563 0.2874 0.8460 0.7612 0.7888 0.3192 0.8556 0.8569 0.8066 0.7420 0.8517 0.5624 0.6657 0.6616 0.6436 0.7812 0.7489 0.8567 0.6534 0.8553 0.6567 0.4267 0.6294 0.7842 0.8205 0.5940 0.8505 0.3390 0.8504 0.7327 0.3903 0.2284 0.5036 0.8404 0.8353 0.2189 0.8467 0.3348 0.2557 0.5145 0.6863 0.4313 0.3640 0.8532 0.1332 0.8547 0.0608 0.2732 0.1967 0.7752 0.8531 0.8542 0.7800 0.8226 0.8569 0.3049 0.5790 0.4078 0.3336 0.7498 0.6724 0.5040 0.5771 0.1749 0.5308 0.2303 0.5794 0.0876 0.3556 0.8043 0.5281 0.6073 0.5956 0.7949 0.6592 0.4888 0.2800 0.8537 0.4178 0.8339 0.7157 0.7831 0.6144 0.1405 0.6462 0.8260 0.3647 0.6804 0.6653 0.5059 0.8251 0.4605 0.8381 0.4851 0.5613 0.8229 0.3874 0.8008 0.7842 0.7067 0.6706 0.5001 0.0608 0.8397 0.1729 0.8563 0.5295 0.7970 0.4359 0.3166 0.2954 0.8513 0.4538 0.2742 0.3070 0.4254 0.1786 0.8389 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 8 6 6 7 1 1 7 7 16 8 8 6 6 6 6 16 6 6 6 6 6 6 7 6 9 9 9 17 17 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 15.99491 12.00000 12.00000 14.00307 1.00783 1.00783 14.00307 14.00307 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 18.99840 18.99840 18.99840 34.96885 34.96885 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 13059.6223 53448.6625 62999.5261 0.99999 -0.00213 -0.00456 0.00213 1.00000 -0.00021 0.00456 0.00020 0.99999 1 0.00663 0.00162 0.00137 0.13819 0.03377 0.02865 5.30 11.71 13.97 18.77 21.27 32.63 42.05 67.12 77.95 91.39 101.48 130.03 161.90 172.27 184.28 210.49 226.00 234.77 265.19 322.77 325.41 359.46 391.78 415.53 421.46 448.85 491.50 496.69 510.52 531.69 548.76 587.09 626.00 632.85 663.51 663.84 692.72 712.51 733.72 746.07 765.87 796.65 816.35 818.89 836.58 872.44 896.03 916.64 926.00 934.17 963.34 1000.60 1003.90 1014.94 1034.51 1074.60 1082.18 1083.65 1106.20 1117.34 1136.81 1155.18 1166.02 1190.72 1291.11 1312.76 1314.83 1340.35 1354.46 1374.65 1408.92 1461.72 1463.08 1538.94 1540.52 1543.43 1579.41 1581.43 1597.38 1611.51 1661.34 1678.76 1681.21 1684.56 1700.92 1714.02 1746.70 1750.48 1756.84 1786.14 1839.50 1842.77 1872.40 1876.78 1905.06 1953.16 1974.43 1983.81 1998.85 2010.82 2014.17 2052.98 2090.03 2125.68 2136.53 2139.56 2150.08 2176.34 2248.66 2257.05 2276.88 2307.61 2314.91 2346.56 2357.47 2368.44 2410.63 2459.57 2518.47 2545.37 2569.10 2572.39 2599.90 2626.17 2701.89 4622.78 4695.92 4705.87 4782.37 4878.75 4883.64 4895.43 4908.88 4911.93 4919.62 4923.18 4936.53 5434.64 5447.09 5464.04 5613.49 0.372456 0.401443 0.402387 0.301299 -3182.804281 -3182.775293 -3182.774349 -3182.875437 3.390508D-04 MUNgauss RevisionA2.0 retrievium 16-Dec-2020 DUDE c1cc(ccc1OCC(=[NH2+])NNS(=O)(=O)c2ccc(s2)Cc3c(cc(cn3)C(F)(F)F)Cl)Cl C01397385 RHF 6-31G(d) (6D,10F) C1 538.999299 |X|Y|Z| 161.714115 76.791457 32.948139 74.238737 24 6 7 8 16 18 3 1 2 |36.858105| |13.702757|36.858105| |7.944303|13.828183|36.858105| |6.862624|7.938677|13.721715|36.858105| |7.919769|6.878131|7.958456|13.820606|36.858105| |13.811423|7.973896|6.917156|7.971862|13.746033|36.858105| |7.834937|5.177548|4.612760|5.275631|8.152862|13.821039|73.516695| |6.737765|4.518678|3.804266|3.994230|5.274290|7.993323|24.593632|36.858105| |4.419202|3.347953|2.989257|3.209386|4.104072|5.232702|14.565362|12.603298|36.858105| |3.870591|3.057886|2.856587|3.188466|4.136477|4.836475|13.166773|7.853105|14.806437|53.358707| |3.218957|2.635600|2.490995|2.759029|3.445319|3.864206|9.489364|5.683884|9.538984|25.924581|0.500000| |4.167000|3.295890|3.154487|3.657369|4.969128|5.589737|15.739061|7.441588|9.657146|25.945362|0.305700|0.500000| |3.658714|2.888613|2.563273|2.672098|3.239358|3.992256|9.554388|7.854244|14.399775|11.333989|0.209179|0.166439|53.358707| |2.921016|2.407775|2.194312|2.304431|2.737103|3.192725|7.272832|5.144670|8.166149|9.602868|0.221372|0.143063|18.872545|53.358707| |2.572678|2.172865|1.992507|2.075872|2.412190|2.756911|5.990908|4.051640|5.511280|6.993408|0.161572|0.114441|9.907733|15.292194|388.023441| |2.199690|1.898562|1.770306|1.854226|2.128706|2.364634|5.026340|3.233789|4.226953|5.781027|0.139800|0.098173|7.005113|10.630485|95.568405|73.516695| |2.823844|2.365285|2.172525|2.280094|2.677860|3.069504|6.737507|4.485543|5.986304|7.840552|0.174021|0.131005|9.170289|10.611199|95.188455|13.481245|73.516695| |2.447031|2.092569|1.889479|1.919430|2.178877|2.510979|5.231704|3.600438|4.357980|5.175167|0.110472|0.089309|7.934299|9.410277|78.193282|13.161135|13.137347|36.858105| |2.120963|1.850252|1.683352|1.702508|1.903924|2.157995|4.393965|2.935800|3.436936|4.205287|0.090380|0.074326|5.981111|7.093720|49.463894|11.335153|8.897110|14.077378|36.858105| |2.039961|1.800819|1.627746|1.622988|1.789487|2.029414|4.032897|2.683268|2.978946|3.605671|0.075431|0.065217|5.003231|5.418469|34.084035|7.703530|7.008819|8.267010|13.371651|36.858105| |2.242597|1.971535|1.758554|1.735116|1.909180|2.193535|4.324145|2.920862|3.137667|3.706039|0.075662|0.067485|5.210790|5.271441|32.450998|6.819809|7.210106|7.725983|8.215382|14.081439|36.858105| |2.695441|2.301460|2.033499|2.021757|2.270316|2.666693|5.405647|3.795648|4.160742|4.737153|0.095338|0.084568|7.096055|6.859649|44.429465|8.077409|10.531256|10.970486|7.399547|7.432299|11.001770|388.023441| |2.127247|1.906498|1.695143|1.648541|1.783283|2.036698|3.904427|2.587488|2.659128|3.167691|0.063803|0.059006|4.215815|4.122673|24.087682|5.235356|5.651968|4.824758|5.039610|7.437020|12.612481|47.902824|36.858105| |1.928110|1.753156|1.577529|1.537171|1.649554|1.855343|3.522060|2.275360|2.334740|2.853416|0.057824|0.053816|3.588395|3.561342|21.396970|4.772448|5.185988|4.037314|4.206058|5.678238|7.595771|37.369796|12.553436|36.858105| |1.963760|1.800200|1.620157|1.570800|1.674540|1.877451|3.520858|2.248591|2.264648|2.783871|0.055960|0.053132|3.388596|3.307676|19.801052|4.382207|5.014906|3.529472|3.473048|4.238034|5.477668|33.268576|7.425229|13.738377|36.858105| |1.758319|1.631895|1.487790|1.447563|1.532475|1.692757|3.154039|1.974292|1.994229|2.500014|0.050566|0.048139|2.935969|2.902355|17.409833|3.956203|4.444266|2.970486|2.961183|3.473552|4.098735|25.871193|4.989221|7.957667|13.759964|36.858105| |1.591073|1.479352|1.359545|1.330878|1.409436|1.545365|2.891683|1.800338|1.843603|2.334199|0.047688|0.044862|2.727897|2.748593|16.553855|3.863113|4.136658|2.816863|2.918320|3.445847|3.817751|23.109422|4.494713|6.993390|8.026462|13.825124|36.858105| |1.582801|1.462197|1.341835|1.317651|1.402757|1.543124|2.912287|1.828008|1.895135|2.390757|0.049139|0.045560|2.852294|2.911222|17.591499|4.148646|4.264552|3.086721|3.345590|4.146595|4.428544|24.682422|5.248212|8.343771|7.067251|8.022928|13.727319|36.858105| |1.718993|1.572841|1.431207|1.403378|1.502962|1.670904|3.175798|2.025290|2.106943|2.618792|0.053706|0.049450|3.232117|3.290165|19.871801|4.607721|4.722805|3.672403|4.068153|5.510032|6.128341|30.290845|7.947783|14.388239|8.070612|6.919205|8.034855|14.504377|53.358707| |1.435625|1.347674|1.250558|1.226886|1.291291|1.399900|2.603288|1.597132|1.633251|2.095377|0.042920|0.040595|2.384182|2.411260|14.393989|3.418438|3.621181|2.357897|2.435609|2.764727|2.954965|18.654453|3.319357|4.506734|5.053682|7.580298|12.662228|7.588922|6.943801|36.858105| |1.353772|1.279724|1.188557|1.161103|1.214826|1.313459|2.426174|1.483176|1.505727|1.930405|0.039421|0.037527|2.191578|2.204569|12.907269|3.075337|3.228164|2.099913|2.179089|2.480069|2.638415|16.556901|3.019674|3.933116|4.291767|5.856175|8.154388|6.114701|6.027651|14.427381|97.533100| |1.361839|1.276022|1.190656|1.175911|1.241234|1.339595|2.505022|1.531673|1.584660|2.050412|0.042345|0.039655|2.317751|2.377969|14.310467|3.463598|3.567407|2.322632|2.437591|2.725590|2.806404|17.710196|3.024515|3.931141|4.098371|5.392232|8.170313|6.803927|6.348644|14.429185|20.155695|97.533100| |1.447007|1.364361|1.270171|1.245902|1.307086|1.411251|2.611021|1.589816|1.615824|2.083081|0.042539|0.040612|2.330116|2.342045|13.969290|3.299541|3.585594|2.239793|2.258342|2.498785|2.699847|17.828981|2.974010|3.886149|4.631090|6.950303|8.160360|5.301570|5.532039|14.433253|20.128884|20.065605|97.533100| |2.295187|2.100356|1.859766|1.779707|1.892030|2.149626|3.979391|2.556976|2.486805|3.009158|0.059280|0.057891|3.649069|3.423203|19.926899|4.276861|5.237280|3.427827|3.169645|3.651447|4.826102|34.488713|6.022548|6.956263|10.947113|7.073953|4.798025|4.294741|6.532365|3.661203|7.355186|6.932685|8.208090|448.794386| |4.767603|7.055167|10.983067|7.039644|4.776425|4.244171|5.775438|2.837217|2.351450|3.088287|0.056476|0.068372|2.838017|2.492645|12.034878|2.714645|3.246154|1.626233|1.472132|1.437784|1.547341|12.433787|1.512866|1.423475|1.468388|1.363267|1.250380|1.228798|1.769531|1.160635|2.499628|2.484321|2.659876|13.445629|448.794386| |17.749007|8.968516|5.670707|4.949467|5.619984|8.850861|12.421093|7.429502|4.687113|5.269366|0.089938|0.110586|5.486380|4.260987|19.558369|4.113670|5.315928|2.683072|2.311022|2.243569|2.505297|21.610576|2.383642|2.126111|2.158612|1.904316|1.711523|1.707891|2.549820|1.528759|3.242020|3.246856|3.451125|20.543408|31.700190|0.500000| |8.914742|17.754378|8.947376|5.648864|4.957552|5.666801|7.426393|3.909996|2.985753|3.675632|0.065749|0.079070|3.627879|3.051037|14.554986|3.188673|3.922811|2.013458|1.796538|1.772522|1.953328|15.972988|1.919804|1.766475|1.821508|1.649661|1.490062|1.468844|2.150002|1.357041|2.914151|2.875869|3.090547|17.205400|53.838391|0.217170|0.500000| |4.949508|5.652938|8.911897|17.754497|8.942786|5.661488|7.583422|3.336429|2.813905|3.895602|0.070249|0.091145|3.237122|2.854875|13.563288|3.071762|3.709030|1.758727|1.573390|1.499075|1.590795|13.037963|1.514088|1.422393|1.453812|1.350734|1.248469|1.234867|1.780076|1.158533|2.471189|2.506514|2.651515|13.095626|53.770262|0.107515|0.124329|0.500000| |5.648593|4.956687|5.648827|8.918793|17.742316|8.933308|13.394230|4.879028|4.122649|6.044519|0.103442|0.156145|4.376496|3.786281|17.390717|3.884562|4.836179|2.159066|1.889037|1.755676|1.851634|15.635671|1.714007|1.592100|1.609599|1.480857|1.371006|1.367895|1.989250|1.260541|2.662602|2.742455|2.870005|14.404022|31.584273|0.123816|0.107636|0.214655|0.500000| |6.749665|4.586891|3.752637|3.796971|4.767019|7.016501|16.502039|17.533196|9.035849|8.457782|0.135362|0.163614|9.492575|6.498270|29.202489|5.685548|8.439050|3.805578|3.046212|2.832153|3.181483|30.578664|2.838600|2.500550|2.508169|2.178988|1.956187|1.968766|2.975485|1.722241|3.581498|3.685567|3.875219|23.591661|22.758871|0.224183|0.113134|0.088231|0.119820|0.500000| |6.685896|4.555492|3.734124|3.782934|4.751889|6.975090|16.504779|17.547751|8.969806|8.207426|0.131638|0.156904|9.783224|6.501515|26.175848|5.346044|6.818225|3.428369|2.873525|2.670730|2.903305|25.844609|2.603674|2.251089|2.200429|1.922282|1.758990|1.798422|2.729467|1.557566|3.278991|3.354955|3.465305|20.008066|22.667903|0.221441|0.112389|0.087987|0.119685|0.299335|0.500000| |3.735372|2.951294|2.560680|2.601402|3.085650|3.861069|8.725906|7.420750|9.437941|8.149432|0.150376|0.132774|25.910325|12.590485|44.979729|8.073724|10.321423|6.137910|4.638561|4.047798|4.381572|43.301056|3.532133|2.904079|2.717423|2.307248|2.125105|2.230931|3.495659|1.835109|3.804803|3.979536|4.014604|23.789631|16.819588|0.119272|0.077040|0.063954|0.082943|0.200414|0.209096|0.500000| |2.673555|2.238822|2.047805|2.138817|2.503913|2.882561|6.370538|4.385986|6.259415|7.595177|0.173308|0.120308|12.977306|25.857095|58.839116|12.874036|10.125549|6.244737|5.272582|4.016093|3.754907|32.028581|2.953055|2.526900|2.310300|2.033222|1.948033|2.087843|3.223797|1.712913|3.547718|3.817253|3.713341|18.882091|13.883771|0.079572|0.058376|0.054420|0.070598|0.111897|0.119776|0.214434|0.500000| |1.961499|1.722889|1.584158|1.613229|1.801910|2.015860|4.103321|2.685173|3.179356|4.014590|0.088180|0.071169|5.414522|6.733381|45.491069|12.525201|8.023870|8.898259|17.753711|8.595990|5.716540|37.523141|4.022464|3.517451|2.967410|2.617897|2.634790|3.018818|4.820127|2.257173|4.575461|5.173776|4.710593|21.708761|11.175976|0.058640|0.046327|0.041695|0.050101|0.075798|0.073099|0.112114|0.145767|0.500000| |1.846093|1.650170|1.500578|1.493204|1.631988|1.831425|3.595928|2.350127|2.575457|3.167239|0.066360|0.057986|4.215185|4.552795|27.553760|6.581692|5.793463|5.744342|8.627425|17.765752|8.917255|37.654434|6.659562|5.441162|3.971855|3.362150|3.475496|4.378862|7.993251|2.810369|5.748236|6.316268|5.592185|26.523141|10.750830|0.056034|0.045331|0.038523|0.044526|0.068245|0.065508|0.093464|0.095652|0.201417|0.500000| |2.322106|2.078470|1.823951|1.754660|1.892058|2.183593|4.144282|2.769846|2.763120|3.241678|0.064249|0.060737|4.328685|4.074319|23.004555|4.906250|5.542378|4.399819|4.301782|5.646806|8.887136|46.506082|17.638464|8.825390|6.997192|4.663186|3.984997|4.320125|7.899313|3.037967|6.319172|6.134160|6.302192|56.458010|13.033446|0.073389|0.058643|0.044475|0.050000|0.085754|0.078108|0.102808|0.080323|0.097208|0.139075|0.500000| |1.975034|1.783872|1.593534|1.548991|1.667647|1.891554|3.610414|2.371255|2.439992|2.928833|0.059234|0.054696|3.864351|3.817850|21.718465|4.867281|4.992647|4.213050|4.668228|7.012379|9.027368|36.975298|17.612912|9.036660|5.731815|4.287488|4.110186|5.016610|10.298233|3.129977|6.600605|6.508357|6.198269|37.580340|11.499125|0.061174|0.050042|0.039673|0.044608|0.070870|0.067198|0.089361|0.077789|0.107794|0.200089|0.302873|0.500000| |1.745843|1.633593|1.494202|1.449995|1.525733|1.676361|3.095247|1.917037|1.916444|2.416585|0.048670|0.046934|2.776793|2.723908|16.195009|3.679133|4.213955|2.676914|2.617465|2.969123|3.462393|23.134535|4.055950|5.653795|8.916411|17.761495|8.898526|5.668252|6.777653|6.949558|12.536390|11.055390|17.434446|54.164929|11.053724|0.052243|0.045984|0.037659|0.040885|0.058983|0.051605|0.060229|0.052736|0.064982|0.079271|0.110306|0.098240|0.500000| |1.466770|1.359391|1.255053|1.236724|1.314932|1.437335|2.713459|1.691641|1.764084|2.244908|0.046410|0.042834|2.650033|2.734312|16.443369|3.965606|3.945012|2.830273|3.132867|3.799016|3.824963|21.619657|4.300243|5.888129|5.054380|5.674028|8.879605|17.735403|12.743112|6.994486|13.531027|16.677416|10.830616|27.760071|9.260904|0.043709|0.037864|0.032327|0.035764|0.050096|0.046316|0.057091|0.054950|0.080855|0.115544|0.099884|0.119697|0.124015|0.500000| 3179.842717 -15344.668099 5350.315881 -291.203448 -7105.712949 3922.536179 -3183.176770 2.001048 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