Version2.4 2021-05-28T19:51:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 26-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)S(=O)(=O)N(C)c2ccc(cc2)C(=O)Nc3cc(cc(c3)C(=O)[O-])C(=O)[O-] C13169443 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)S(=O)(=O)N(C)c2ccc(cc2)C(=O)Nc3cc(cc(c3)C(=O)[O-])C(=O)[O-] C01[X(C23H18N2O7S1)] 147 C1 535 Cc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)C(=O)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-])C Cc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)C(=O)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-])C CN(c1ccc(cc1)C(=O)Nc2cc(cc(c2)C([O-])=O)C([O-])=O)[S](=O)(=O)c3ccc(C)cc3 InChIKey=OCYKRMAVKWNPAP-UHFFFAOYSA-L InChI=1S/C23H20N2O7S/c1-14-3-9-20(10-4-14)33(31,32)25(2)19-7-5-15(6-8-19)21(26)24-18-12-16(22(27)28)11-17(13-18)23(29)30/h3-13H,1-2H3,(H,24,26)(H,27,28)(H,29,30)/p-2 InChI=1/C23H20N2O7S/c1-14-3-9-20(10-4-14)33(31,32)25(2)19-7-5-15(6-8-19)21(26)24-18-12-16(22(27)28)11-17(13-18)23(29)30/h3-13H,1-2H3,(H,24,26)(H,27,28)(H,29,30)/p-2/fC23H18N2O7S/h24H/q-2 Cc1ccc(cc1)S(=O)(=O)N(C)c2ccc(cc2)C(=O)Nc3cc(cc(c3)C(=O)[O-])C(=O)[O-] C01[X(C23H18N2O7S1)] 147 C01 535 Cc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)C(=O)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-])C C[C]1[CH][CH][C]([CH][CH]1)[S@@]([O])(=O)N([C]1[CH][CH][C]([CH][CH]1)[C]([NH][C]1[CH][C]([CH][C]([CH]1)[C]([O])=O)[C]([O])=O)=O)C C[C]1[CH][CH][C]([CH][CH]1)[S]([O])(=O)N(C)[C]2[CH][CH][C]([CH][CH]2)C(=O)N[C]3[CH][C]([CH][C]([CH]3)C([O])=O)C([O])=O InChIKey=JHEWFZZCALBLFB-UHFFFAOYSA-N InChI=1S/C23H18N2O7S/c1-14-3-9-20(10-4-14)33(31,32)25(2)19-7-5-15(6-8-19)21(26)24-18-12-16(22(27)28)11-17(13-18)23(29)30/h3-13H,1-2H3,(H,24,26) InChI=1/C23H18N2O7S/c1-14-3-9-20(10-4-14)33(31,32)25(2)19-7-5-15(6-8-19)21(26)24-18-12-16(22(27)28)11-17(13-18)23(29)30/h3-13H,1-2H3,(H,24,26)/f/h24H 3294.7275727292 -1911.8487723 1-A 24485.2591 122 413 535 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320.4244 344.6966 351.9054 357.0560 368.5589 375.7204 397.1994 433.4805 455.9525 459.2469 466.2636 481.0110 506.8231 519.7329 532.3112 541.2468 551.2473 570.8032 590.1886 599.0173 622.8606 634.7283 653.5619 678.8414 696.4938 698.9058 736.5314 752.4055 781.2943 786.5260 792.2110 807.8906 863.9576 868.1423 871.6805 879.1979 899.3913 924.0717 951.1581 952.4917 959.7573 970.4890 980.2473 984.1704 1023.6346 1054.9060 1065.8184 1090.1062 1093.4366 1094.7965 1100.1182 1112.2033 1114.2663 1114.8551 1117.7684 1122.1711 1173.6491 1191.3361 1197.1555 1198.1343 1199.1654 1201.6839 1204.9431 1248.9784 1257.8286 1261.1998 1262.3490 1277.5247 1301.5984 1312.1438 1313.9493 1321.5128 1331.1769 1355.2149 1377.6666 1405.7901 1420.2136 1450.5786 1458.5430 1464.9348 1516.8785 1539.8889 1559.1305 1559.8539 1563.1702 1567.3088 1584.9289 1603.6808 1630.9573 1638.7481 1642.4643 1665.9819 1677.4694 1679.0114 1708.1375 1766.5552 1767.0626 1773.2387 1786.2955 1809.0992 1816.7284 1886.2165 1898.0636 1942.0432 3205.4064 3207.4574 3264.7310 3280.8998 3303.8105 3360.8106 3362.7083 3371.2223 3374.8778 3382.9496 3390.2655 3407.2729 3408.5979 3413.2460 3414.7986 3419.3853 3435.6578 3875.4031 8.7000 6.7562 6.7686 3.1293 1.3137 5.8082 5.5909 14.3762 8.3796 5.3071 5.0931 4.7746 6.6120 5.9850 6.6529 5.5228 7.1858 6.4464 3.1252 1.4457 4.9446 4.7845 5.8337 5.4867 6.9047 8.7900 4.6271 4.5519 6.6400 4.3459 7.9015 6.1779 4.7748 3.1600 4.3347 3.0752 5.6322 4.7121 6.6692 5.2597 3.8344 1.6804 3.6914 5.2114 6.5512 4.8808 5.0005 4.8616 5.6550 6.9461 6.3915 6.2840 3.9819 4.1299 6.2602 4.8225 5.3752 5.8101 6.1623 4.1193 5.6263 6.5974 1.3497 2.2433 1.5120 1.2635 5.6613 2.0494 8.2014 3.4373 1.4617 2.1466 6.1758 1.3354 1.5327 1.4536 1.4085 1.5066 2.1335 2.6972 1.5274 1.5547 2.7445 3.0453 1.8010 1.8379 2.2065 1.5757 3.2280 1.9179 2.3682 6.7014 3.2971 1.1541 1.2357 2.5945 3.0650 2.8682 5.9546 1.3194 3.4188 2.0903 1.4544 1.4223 4.8247 10.4240 9.3502 2.8234 2.3114 3.7579 1.3178 4.1383 1.1546 1.0445 1.0938 1.0555 1.0502 2.2642 2.2115 2.3086 6.5289 5.6903 6.4244 6.2054 5.3187 5.5275 12.5663 12.2911 10.5016 1.0509 1.0369 1.1021 1.1035 1.0879 1.0908 1.1034 1.0920 1.0907 1.0911 1.0911 1.0938 1.0916 1.0941 1.0950 1.0947 1.0903 1.0770 0.0001 0.0002 0.0022 0.0016 0.0008 0.0046 0.0077 0.0229 0.0159 0.0133 0.0160 0.0200 0.0521 0.0622 0.0805 0.0809 0.1329 0.1284 0.0744 0.0377 0.1356 0.1536 0.2398 0.2885 0.3860 0.5317 0.3239 0.3321 0.4988 0.3478 0.6572 0.5743 0.5286 0.3871 0.5386 0.3939 0.7678 0.7131 1.0614 0.8781 0.6618 0.3009 0.7086 1.0695 1.3850 1.1156 1.1870 1.2235 1.5354 1.9853 1.8395 2.0085 1.3282 1.4853 2.2817 1.7832 2.0671 2.5552 2.7364 1.8441 2.5624 3.1443 0.6790 1.1957 0.8082 0.6857 3.1416 1.1602 4.6804 2.1221 0.9584 1.4367 4.3240 0.9407 1.0823 1.0365 1.0266 1.1021 1.5623 1.9855 1.1332 1.2618 2.2950 2.5714 1.5232 1.5571 1.8773 1.3479 2.9668 1.7878 2.2194 6.2918 3.1704 1.1520 1.2535 2.6392 3.1537 2.9946 6.4434 1.4754 3.9808 2.4841 1.8031 1.7827 6.1003 14.1315 13.0632 4.0438 3.3136 5.4101 1.9073 6.1248 1.7496 1.6370 1.7307 1.6776 1.7174 3.7538 3.6733 3.9686 12.0045 10.4687 11.9019 11.6662 10.2560 10.7487 26.3415 26.0892 23.3358 6.3619 6.2849 6.9212 6.9987 6.9961 7.2593 7.3511 7.3122 7.3196 7.3569 7.3888 7.4819 7.4723 7.5103 7.5231 7.5410 7.5825 9.5306 0.1913 5.1766 0.8455 4.3787 0.6986 2.2210 0.1435 0.0532 2.0055 2.1180 5.0583 2.1746 4.8739 13.3110 5.2516 6.5075 2.0507 3.9771 2.9718 0.6723 0.2954 6.1038 3.4140 0.8365 8.8877 2.3054 10.4300 7.8073 2.3854 3.8949 2.4637 16.7930 1.1240 0.3939 2.9939 0.4397 3.9393 8.6112 13.8788 1.8323 15.5521 51.2710 19.3636 1.1719 70.0402 37.1089 0.4796 76.9748 58.8784 0.8011 2.2256 98.6179 41.7836 3.0235 34.2629 123.9462 64.9948 39.3281 48.6363 78.1277 20.5592 0.0731 28.0273 52.5793 4.9594 0.8764 69.0803 97.9681 36.4182 3.6449 0.2140 16.7272 12.0767 0.4083 1.7388 0.8023 2.0346 2.4080 1.8832 15.6880 0.6175 4.5524 36.9324 119.8686 34.4887 7.1648 18.2063 20.5759 3.8050 136.1538 108.7111 5.6220 34.0589 7.7026 3.5528 12.0696 51.3406 2.9616 1.7570 0.2109 46.1187 274.0212 27.1754 39.5559 183.6051 905.2190 313.1378 5.0107 27.5832 27.2276 2.9030 57.6120 5.7114 4.0260 13.1807 10.9511 9.5819 16.5156 219.5030 252.5772 4.5925 4.9610 103.7847 5.7745 34.7275 25.5044 178.4885 868.4404 361.6807 39.9044 34.5095 21.7466 27.4111 27.7316 26.3098 12.3194 6.4154 20.9105 6.7595 10.3424 3.4063 6.2918 4.4119 2.1593 0.3569 0.0685 24.8936 1.7957 0.5373 2.7518 0.6340 0.4352 3.5723 6.5297 0.4785 1.6963 0.5801 2.7569 4.2326 0.5830 0.3663 0.5000 0.7891 1.4278 1.2408 2.2449 1.3273 2.9315 1.1928 0.9986 3.7585 3.9213 1.9660 3.9786 0.7140 4.9644 0.5864 4.0267 0.8978 2.2481 0.0752 0.5315 0.4338 0.5471 2.4110 1.4418 0.3214 0.8997 4.8808 0.7123 0.3122 0.6215 1.8161 0.1817 1.0803 7.9040 6.8471 4.6155 1.4478 1.9955 2.3758 0.7631 0.1714 19.7982 3.1073 3.6711 2.0437 19.8373 2.4946 3.6327 3.6766 4.3551 1.7036 14.8395 2.1824 6.6649 0.4967 2.7871 4.7695 34.0899 0.6251 1.9642 1.8476 1.7211 0.5783 0.3275 0.7391 0.2204 0.1425 17.3218 7.1874 1.0055 4.0563 1.0257 1.7650 4.2666 9.1654 14.4533 0.1769 3.3745 6.2900 2.3990 1.7355 4.2802 2.4017 3.0023 1.7313 39.5311 21.7415 0.4745 1.9063 2.0587 0.3112 23.3888 0.3599 3.5760 2.4613 13.3629 2.5374 8.7319 21.6047 11.1608 15.7869 14.7737 0.6182 7.4001 22.6651 1.7633 4.7498 20.9539 17.6037 46.5003 156.9007 0.0451 1.2041 25.4870 52.3362 165.6373 88.7542 64.9483 84.7900 105.5786 99.2005 60.7195 38.6699 76.1249 50.9368 77.9980 50.9705 10.4278 146.1245 49.2971 70.7359 76.9071 0.7345 0.7028 0.7211 0.7296 0.7498 0.6835 0.7495 0.7376 0.7394 0.6316 0.7490 0.7189 0.6145 0.5364 0.6604 0.7006 0.3821 0.6345 0.6822 0.7435 0.6849 0.5369 0.5361 0.3957 0.3351 0.6691 0.2531 0.6445 0.3521 0.3729 0.6600 0.4243 0.4086 0.7368 0.3692 0.1067 0.2758 0.3746 0.4335 0.6368 0.7482 0.2314 0.3234 0.6160 0.7276 0.4648 0.5582 0.2630 0.3303 0.7230 0.6815 0.6734 0.1121 0.0472 0.0253 0.1350 0.0193 0.3508 0.7298 0.2302 0.1199 0.7322 0.6675 0.6633 0.5800 0.7472 0.1224 0.7176 0.2495 0.6916 0.5678 0.0976 0.0981 0.6880 0.7147 0.6988 0.6967 0.4442 0.2995 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0.8227 0.8213 0.6151 0.4610 0.4197 0.7956 0.8465 0.3976 0.2058 0.8490 0.7028 0.8069 0.5593 0.3696 0.1972 0.1352 0.8490 0.1126 0.2910 0.6480 0.5966 0.5071 0.5578 0.6346 0.8565 0.3778 0.1990 0.7973 0.6770 0.6996 0.8333 0.2654 0.8109 0.6314 0.5240 0.6283 0.5376 0.7999 0.8506 0.8566 0.8331 0.8158 0.7400 0.4576 0.5615 0.7789 0.8564 0.8421 0.8543 0.7257 0.5932 0.4207 0.3530 0.2943 0.0723 0.0563 0.8569 0.8567 0.4096 0.5505 0.7383 0.4745 0.6064 0.5984 0.4340 0.3445 0.4269 0.3929 0.3081 0.3634 0.4250 0.2944 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 6 6 6 6 6 6 6 16 8 8 7 6 6 6 6 6 6 6 6 8 7 6 6 6 6 6 6 6 8 8 6 8 8 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 12.00000 31.97207 15.99491 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 12.00000 12.00000 12.00000 12.00000 15.99491 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 1.00783 1.00783 1.00783 8402.7210 38520.1543 44002.5017 0.99997 -0.00585 -0.00559 0.00590 0.99994 0.00910 0.00554 -0.00913 0.99994 1 0.01031 0.00225 0.00197 0.21478 0.04685 0.04101 7.10 11.07 33.49 42.41 45.80 52.57 69.75 74.84 81.65 93.80 105.12 121.38 166.34 191.10 206.16 226.84 254.94 264.57 289.20 302.50 310.41 335.85 380.04 429.79 443.17 461.02 495.94 506.31 513.72 530.27 540.58 571.48 623.68 656.01 660.75 670.85 692.07 729.21 747.78 765.88 778.73 793.12 821.26 849.15 861.85 896.16 913.23 940.33 976.70 1002.10 1005.57 1059.70 1082.54 1124.11 1131.64 1139.81 1162.37 1243.04 1249.06 1254.15 1264.97 1294.02 1329.53 1368.50 1370.42 1380.88 1396.32 1410.36 1416.00 1472.78 1517.77 1533.47 1568.42 1573.21 1575.17 1582.82 1600.21 1603.18 1604.03 1608.22 1614.55 1688.62 1714.07 1722.44 1723.85 1725.33 1728.96 1733.64 1797.00 1809.73 1814.59 1816.24 1838.07 1872.71 1887.88 1890.48 1901.36 1915.27 1949.85 1982.16 2022.62 2043.37 2087.06 2098.52 2107.71 2182.45 2215.56 2243.24 2244.28 2249.05 2255.01 2280.36 2307.34 2346.58 2357.79 2363.14 2396.98 2413.50 2415.72 2457.63 2541.68 2542.41 2551.29 2570.08 2602.89 2613.87 2713.84 2730.89 2794.17 4611.86 4614.82 4697.22 4720.48 4753.45 4835.46 4838.19 4850.44 4855.70 4867.31 4877.84 4902.31 4904.21 4910.90 4913.13 4919.73 4943.15 5575.84 0.405238 0.433382 0.434326 0.338776 -1911.443534 -1911.415391 -1911.414447 -1911.509996 3.204729D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE Cc1ccc(cc1)S(=O)(=O)N(C)c2ccc(cc2)C(=O)Nc3cc(cc(c3)C(=O)[O-])C(=O)[O-] C13169443 RHF 6-31G(d) (6D,10F) C1 466.083473 |X|Y|Z| 140.027945 62.656123 30.817617 64.663483 22 6 7 16 19 2 1 |36.858105| |12.614819|36.858105| |7.572339|13.673005|36.858105| |5.023233|7.892099|13.802611|36.858105| |4.439330|6.849751|7.962706|13.704800|36.858105| |5.007513|7.890315|6.876461|7.910843|13.762096|36.858105| |7.538511|13.719736|7.961513|6.876425|7.962824|13.745872|36.858105| |3.143099|4.185934|4.736321|6.955373|10.761480|6.960586|4.732662|388.023441| |2.863577|3.678233|3.831885|4.949827|7.340037|6.485082|4.415918|94.457929|73.516695| |2.871419|3.686993|4.408611|6.435898|7.372996|5.003092|3.855839|94.854718|13.644659|73.516695| |2.842307|3.626849|4.041827|5.425327|6.928195|5.331704|3.998385|82.133475|13.731515|13.592309|53.358707| |2.670853|3.309439|3.443789|4.218161|5.406325|4.954877|3.804024|50.921308|12.133177|8.920159|17.728791|36.858105| |2.854272|3.572633|4.176036|5.503445|5.860965|4.482925|3.673079|51.119846|8.919154|11.277135|18.017762|7.681041|36.858105| |3.095268|3.815254|4.376540|5.281584|5.308712|4.393881|3.829742|37.644492|7.224553|8.166635|10.560308|6.398853|13.703519|36.858105| |2.883096|3.377181|3.916834|4.408234|4.087453|3.486333|3.228706|28.268700|5.656591|6.668737|6.970814|4.429448|7.932819|13.797972|36.858105| |2.551713|2.940962|3.480106|3.958423|3.585710|3.005893|2.781312|25.990948|5.202792|6.607711|6.133677|3.757465|6.832214|7.913832|13.710558|36.858105| |2.412940|2.827855|3.379657|4.054857|3.748712|3.038236|2.722460|29.461818|5.749753|7.977342|6.979190|3.985324|7.943290|6.895774|7.969061|13.720868|36.858105| |2.523466|3.056702|3.639939|4.668812|4.599362|3.571675|3.043703|40.492665|7.416655|10.978712|10.607331|5.256358|13.760064|7.941792|6.880536|7.891058|13.732679|36.858105| |2.317847|2.562954|2.972199|3.194317|2.867250|2.494950|2.386445|20.268278|4.229970|5.200495|4.514974|2.914800|4.426093|5.053422|7.672076|12.554457|7.424350|4.970694|36.858105| |2.226863|2.415661|2.718540|2.846462|2.604811|2.334299|2.263524|18.193512|3.890213|4.547994|4.066351|2.738684|3.834737|4.564573|6.781167|8.122394|5.341943|4.035610|15.849893|73.516695| |2.189861|2.398103|2.810042|3.006550|2.655952|2.300477|2.210742|18.845409|3.951245|5.010363|4.017558|2.562787|3.777371|4.005864|5.303803|7.911637|6.490822|4.437729|14.210807|14.905988|53.358707| |1.988722|2.120569|2.434935|2.529375|2.248946|1.994062|1.948557|15.785425|3.393798|4.178457|3.285825|2.150637|2.940245|3.114786|3.905163|5.010780|4.364848|3.326597|7.664045|11.593609|17.951199|36.858105| |2.059618|2.156366|2.480056|2.506966|2.190724|1.957275|1.946470|14.986633|3.236396|3.967026|3.035538|1.991475|2.657979|2.827830|3.444250|4.123467|3.641284|2.925586|5.586522|8.941686|10.668611|13.763992|36.858105| |1.844443|1.899484|2.141031|2.141419|1.898648|1.723354|1.724893|13.016046|2.861352|3.432200|2.611681|1.740191|2.227711|2.350706|2.772561|3.190319|2.899243|2.420980|4.069223|6.925867|6.987445|7.922268|13.727784|36.858105| |1.646234|1.699948|1.892173|1.912185|1.728345|1.577678|1.567731|12.049921|2.675820|3.168694|2.440205|1.642883|2.066508|2.163922|2.532223|2.916297|2.688167|2.255477|3.707012|6.482651|6.190065|6.935419|7.978796|13.661691|36.858105| |1.606923|1.679689|1.868697|1.918901|1.754060|1.594724|1.566732|12.438416|2.759932|3.269233|2.561536|1.727074|2.187817|2.280838|2.693719|3.176640|2.936968|2.420793|4.145376|7.281343|6.960853|7.936613|6.831659|7.813559|13.665588|36.858105| |1.746258|1.852581|2.085518|2.172478|1.979118|1.776733|1.729500|14.136972|3.094192|3.725436|2.959116|1.972323|2.592227|2.709785|3.297343|4.093936|3.717270|2.926334|5.780815|9.721397|10.569975|13.780229|7.912340|6.811036|7.958025|13.702111|36.858105| |1.429108|1.491113|1.637498|1.686477|1.567165|1.437315|1.407520|11.238867|2.527936|2.941397|2.318512|1.583966|1.947289|2.011127|2.321996|2.679235|2.532342|2.142726|3.318270|5.956002|5.201043|4.997262|4.393985|4.926604|7.394511|12.310998|7.514716|36.858105| |1.345579|1.391671|1.517809|1.550161|1.442307|1.332584|1.312698|10.283110|2.330017|2.685325|2.099985|1.442567|1.741392|1.797986|2.047316|2.311642|2.193786|1.894097|2.786662|5.026998|4.288542|3.999736|3.799663|4.505574|6.721617|8.057810|5.275392|15.464450|73.516695| |1.399538|1.471557|1.612997|1.678463|1.575403|1.442930|1.401459|11.450821|2.581280|2.993058|2.388836|1.637919|2.007862|2.059454|2.370299|2.752935|2.632264|2.225193|3.367406|6.050682|5.146584|4.604280|3.826690|3.972771|5.238303|8.077479|6.912784|15.385482|15.213271|73.516695| |1.851914|1.871061|2.093759|2.050267|1.808280|1.657952|1.682547|12.200201|2.702456|3.209409|2.401291|1.607159|2.010184|2.118428|2.435385|2.700635|2.484536|2.145173|3.242013|5.566765|5.232370|4.996460|7.529788|12.316924|7.376519|4.921944|4.386310|3.694107|6.449910|5.463893|36.858105| |2.061746|2.068736|2.336750|2.253036|1.953569|1.787408|1.830637|12.953474|2.852845|3.410639|2.519307|1.675191|2.107459|2.228376|2.547690|2.789073|2.560304|2.230014|3.264572|5.520839|5.194960|4.609483|6.929521|8.078902|5.230985|3.972401|3.825076|3.073990|5.283166|4.735877|15.368655|73.516695| |1.670500|1.677016|1.850165|1.811744|1.619319|1.498517|1.521581|10.989370|2.461860|2.881091|2.159490|1.459373|1.784749|1.871052|2.120844|2.324001|2.162959|1.895791|2.739656|4.784408|4.303722|3.996031|5.280952|8.056108|6.693185|4.493463|3.789045|3.623361|6.694093|5.277883|15.472700|15.213231|73.516695| |17.547556|8.855051|6.722001|4.601993|3.980431|4.301449|5.892760|20.738902|4.742849|4.890608|3.531406|2.409413|2.607102|2.761129|2.609597|2.375389|2.276014|2.365169|2.184691|3.706579|2.864087|1.931504|2.022527|1.825503|1.623840|1.573223|1.697269|1.399115|2.352196|2.425650|1.855795|3.699954|2.983019|0.500000| |17.576200|8.833909|5.573144|4.169486|3.968376|4.743192|7.235269|20.704951|4.880767|4.657327|3.614717|2.569977|2.614862|2.827660|2.614446|2.307776|2.188975|2.302109|2.104803|3.636066|2.695535|1.810256|1.862418|1.684514|1.519645|1.488867|1.609906|1.336564|2.244345|2.334220|1.689713|3.308609|2.735698|0.301408|0.500000| |17.556118|8.859618|6.769111|4.619050|3.984958|4.292052|5.861766|20.798440|4.675728|4.795909|3.738570|2.586905|2.843248|3.178315|3.051326|2.678413|2.469931|2.525989|2.472681|4.268084|3.159311|2.118468|2.212336|1.976085|1.751032|1.700595|1.847523|1.502828|2.515050|2.604696|1.990407|3.963777|3.176072|0.302485|0.301354|0.500000| |7.029593|8.894129|17.711677|8.970031|5.662283|4.953382|5.652548|27.860436|5.719649|6.859943|4.737286|2.981648|3.739962|3.965202|3.786211|3.474847|3.321956|3.419847|3.072652|4.974191|4.038910|2.602781|2.716544|2.336018|2.029294|1.976768|2.196666|1.713075|2.828942|2.971096|2.314886|4.685731|3.600344|0.190473|0.140685|0.192979|0.500000| |4.097331|5.625960|8.925395|17.761092|8.903291|5.638681|4.957235|47.199460|8.111937|12.990530|7.349321|3.996105|5.918405|5.357300|4.672141|4.470493|4.787827|5.481327|3.544725|5.426625|4.645749|2.811679|2.771765|2.330967|2.069155|2.081879|2.382563|1.813507|2.945053|3.208379|2.209163|4.319828|3.439977|0.108357|0.095957|0.108778|0.216119|0.500000| |4.081459|5.623482|4.956571|5.638322|8.930758|17.750258|8.894390|47.261794|13.311617|8.230448|7.121380|5.315634|4.140302|3.974955|3.152513|2.739749|2.796144|3.315583|2.289502|3.842225|2.871105|1.840308|1.793653|1.592477|1.472896|1.496711|1.661627|1.362131|2.248686|2.443475|1.528536|2.903490|2.474029|0.099608|0.112758|0.099196|0.107578|0.124155|0.500000| |6.977988|8.912881|5.651372|4.953053|5.662778|8.944678|17.707480|27.836850|6.889422|5.759267|4.668343|3.420256|3.138643|3.292614|2.831095|2.452569|2.389218|2.640128|2.144949|3.669311|2.707479|1.777121|1.777913|1.593723|1.457931|1.455704|1.593979|1.317552|2.195062|2.332739|1.562085|3.007018|2.531456|0.152627|0.221861|0.151174|0.124094|0.107584|0.215243|0.500000| |2.475795|3.028439|3.098961|3.744368|4.853189|4.623671|3.537673|48.092167|14.031279|8.564397|12.437130|17.686246|5.675830|4.732150|3.561220|3.155634|3.402481|4.390439|2.532764|4.241796|3.101162|1.944323|1.811521|1.600825|1.518811|1.593102|1.800747|1.473575|2.398898|2.710711|1.487910|2.751893|2.417722|0.062796|0.066968|0.065774|0.074874|0.098596|0.146335|0.090340|0.500000| |2.413977|2.901224|3.036632|3.610717|4.287463|3.944175|3.222555|38.124923|8.934875|7.532487|12.597890|17.633978|7.369056|6.458931|4.650053|3.956199|4.154884|5.325262|3.067646|5.185536|3.608259|2.217400|2.022236|1.766977|1.683405|1.789313|2.055614|1.650244|2.658381|3.060235|1.615349|2.966656|2.612133|0.060810|0.064576|0.066085|0.075104|0.097856|0.114548|0.081805|0.300543|0.500000| |2.959923|3.696212|3.699074|4.373754|5.699352|5.720558|4.400725|44.642541|10.839115|7.816074|12.136294|17.532446|6.481193|6.377072|4.411427|3.579100|3.606923|4.473809|2.832593|4.816155|3.366378|2.096017|1.963891|1.720481|1.615963|1.685366|1.912806|1.541321|2.506731|2.814638|1.601243|2.982184|2.585081|0.072586|0.079996|0.079578|0.087458|0.109837|0.173305|0.110857|0.300288|0.300492|0.500000| |3.351551|4.160654|4.496590|5.181259|5.518889|4.937203|4.330724|36.343879|7.357939|7.391610|9.684535|6.901183|8.891521|17.724415|8.950500|5.641418|4.964515|5.645258|4.131598|7.011229|4.575123|2.733280|2.537373|2.151811|1.985162|2.071690|2.409953|1.844508|2.963243|3.343935|1.971744|3.698431|3.121924|0.080909|0.086384|0.095519|0.109798|0.134665|0.124902|0.104197|0.138796|0.185628|0.221228|0.500000| |2.906672|3.290835|3.695283|3.906080|3.612104|3.230642|3.109459|24.025725|4.996279|5.617093|5.648362|3.828710|5.638504|8.909450|17.756030|8.973089|5.674740|4.959221|7.244763|13.447114|6.737799|3.861643|3.472841|2.822200|2.571829|2.712306|3.274451|2.334025|3.678318|4.199370|2.491833|4.631550|3.861862|0.072483|0.073651|0.087621|0.100963|0.111118|0.081420|0.077111|0.087466|0.111668|0.110192|0.215006|0.500000| |2.182382|2.509444|2.973297|3.487938|3.218231|2.655173|2.407307|25.404350|5.122603|7.144762|5.672830|3.351380|5.659161|4.964987|5.656061|8.907361|17.729083|8.951163|6.821315|8.724820|9.544110|4.738835|3.834309|3.059039|2.873919|3.194392|4.110518|2.751600|4.189833|5.126875|2.577233|4.655402|3.994345|0.058019|0.055202|0.061926|0.082612|0.114653|0.068500|0.059340|0.082414|0.096924|0.084388|0.107738|0.124579|0.500000| |2.338321|2.816338|3.313908|4.254575|4.310368|3.365880|2.839288|41.320974|7.742916|12.484919|9.791417|4.902900|8.953654|5.655670|4.959530|5.623337|8.887292|17.762200|4.047943|5.986938|5.210637|2.993399|2.661381|2.246550|2.112435|2.264354|2.692090|2.032926|3.213766|3.766471|2.007550|3.696727|3.183165|0.061676|0.059673|0.064157|0.086435|0.138898|0.088494|0.068988|0.121212|0.135407|0.112889|0.124274|0.107693|0.215283|0.500000| |2.268562|2.515978|3.013360|3.286477|2.853732|2.421688|2.308244|20.382534|4.206774|5.581092|4.258570|2.642112|4.014201|4.071109|5.127290|7.698697|7.331040|4.924057|9.561483|10.904032|26.086855|9.193308|6.922334|4.702523|4.086998|4.415987|6.105549|3.408935|5.115147|5.989550|3.699623|6.717737|5.408610|0.060997|0.056562|0.066114|0.088817|0.107072|0.061285|0.057156|0.065500|0.074815|0.070211|0.093781|0.126734|0.234738|0.119449|0.500000| |2.299627|2.403191|2.810182|2.799874|2.388364|2.122129|2.129251|15.984596|3.420240|4.235970|3.192842|2.075106|2.800425|3.000286|3.638753|4.261118|3.737102|3.043378|5.449524|8.521223|9.764701|8.867098|17.733786|8.986203|5.675911|4.931864|5.625725|3.521512|5.583813|5.616022|7.111232|14.192631|8.699740|0.062960|0.057015|0.069116|0.087503|0.086487|0.053397|0.053620|0.052263|0.057853|0.057223|0.074949|0.101885|0.106359|0.076368|0.192845|0.500000| |1.532596|1.570030|1.730765|1.739384|1.582030|1.455970|1.452110|11.022281|2.470485|2.890837|2.217265|1.504161|1.851615|1.931737|2.222020|2.506258|2.336708|2.003001|3.074198|5.442636|4.929482|4.989153|5.673195|8.934942|17.778409|8.942550|5.665930|6.895220|13.394137|8.526590|6.862179|8.497276|13.282124|0.042163|0.039507|0.045186|0.051463|0.051884|0.037908|0.037735|0.038870|0.042736|0.041186|0.049740|0.062846|0.068981|0.052571|0.092664|0.124856|0.500000| |1.682430|1.798802|2.014133|2.124798|1.965344|1.764021|1.700204|14.292321|3.139205|3.756616|3.039465|2.036419|2.667524|2.762521|3.345948|4.200842|3.886726|3.044495|5.775261|9.812118|9.627591|8.874815|5.626693|4.922866|5.665942|8.964351|17.755195|7.077880|8.672872|14.091006|3.517514|5.616290|5.571224|0.045214|0.043324|0.049148|0.058117|0.064581|0.046159|0.043597|0.051659|0.059672|0.054392|0.067864|0.091123|0.121266|0.078072|0.156950|0.123549|0.124742|0.500000| 1909.291929 -11130.239317 4237.174301 -222.803525 -5206.576613 3294.727810 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