Version2.4 2021-06-07T09:05:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@@H]2C(=C(C(=O)N2c3nc(c(s3)C(=O)OC)C)[O-])C(=O)c4ccc(cc4)OC(C)C C39828066 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@@H]2C(=C(C(=O)N2c3nc(c(s3)C(=O)OC)C)[O-])C(=O)c4ccc(cc4)OC(C)C C01[X(C27H25N2O6S1)] 177 C1 594 COC(=O)c1sc(nc1C)N1C(=O)C(=C([C@H]1c1ccc(cc1)C)C(=O)c1ccc(cc1)OC(C)C)[O-] COC(=O)c1sc(nc1C)N1C(=O)C(=C([C@H]1c1ccc(cc1)C)C(=O)c1ccc(cc1)OC(C)C)[O-] COC(=O)c1sc(nc1C)N2[C@H](c3ccc(C)cc3)C(=C([O-])C2=O)C(=O)c4ccc(OC(C)C)cc4 InChIKey=MJAVMQRVOACQFI-OAQYLSRUSA-M InChI=1S/C27H26N2O6S/c1-14(2)35-19-12-10-18(11-13-19)22(30)20-21(17-8-6-15(3)7-9-17)29(25(32)23(20)31)27-28-16(4)24(36-27)26(33)34-5/h6-14,21,31H,1-5H3/p-1/t21-/m1/s1 InChI=1/C27H26N2O6S/c1-14(2)35-19-12-10-18(11-13-19)22(30)20-21(17-8-6-15(3)7-9-17)29(25(32)23(20)31)27-28-16(4)24(36-27)26(33)34-5/h6-14,21,31H,1-5H3/p-1/t21-/m1/s1/fC27H25N2O6S/h31h/q-1 Cc1ccc(cc1)[C@@H]2C(=C(C(=O)N2c3nc(c(s3)C(=O)OC)C)[O-])C(=O)c4ccc(cc4)OC(C)C C01[X(C27H25N2O6S1)] 177 C01 594 COC(=O)c1sc(nc1C)N1C(=O)C(=C([C@H]1c1ccc(cc1)C)C(=O)c1ccc(cc1)OC(C)C)[O-] COC(=O)[C]1[C]([N][C](S1)N1C(=O)[C]([C]([C](=O)[C]2[CH][CH][C]([CH][CH]2)OC(C)C)[C@H]1[C]1[CH][CH][C]([CH][CH]1)C)=O)C COC(=O)[C]1S[C]([N][C]1C)N2[C@H]([C]3[CH][CH][C](C)[CH][CH]3)[C](C(=O)[C]4[CH][CH][C]([CH][CH]4)OC(C)C)C(=O)C2=O InChIKey=KPMIVMLFLHLMJP-OAQYLSRUSA-N InChI=1S/C27H25N2O6S/c1-14(2)35-19-12-10-18(11-13-19)22(30)20-21(17-8-6-15(3)7-9-17)29(25(32)23(20)31)27-28-16(4)24(36-27)26(33)34-5/h6-14,21H,1-5H3/t21-/m1/s1 InChI=1/C27H25N2O6S/c1-14(2)35-19-12-10-18(11-13-19)22(30)20-21(17-8-6-15(3)7-9-17)29(25(32)23(20)31)27-28-16(4)24(36-27)26(33)34-5/h6-14,21H,1-5H3/t21-/m1/s1 3997.5077856565 -1992.6423342 1-A 21309.3334 133 461 594 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3.4096 5.0452 4.4687 4.3694 5.7896 5.5481 6.5901 6.9670 6.1517 7.9746 5.3487 4.3813 5.5162 3.8211 4.3370 4.4923 4.3552 8.5111 5.2513 6.9340 4.8956 6.0257 4.0721 1.8197 2.0602 1.8589 1.2618 1.9370 1.2390 1.4070 5.5124 1.4279 1.4583 1.5435 2.5076 1.3651 3.5494 2.4445 1.5945 2.9414 3.4454 2.2939 1.5148 1.5808 1.8179 2.0190 5.3302 4.2856 2.1396 2.8714 5.6802 1.7141 2.6398 1.6138 1.2707 1.2083 4.0353 1.7990 3.9521 2.7337 1.6243 6.8748 3.3261 3.7143 5.4938 1.4331 1.3481 5.0659 1.5598 1.2898 1.9131 1.2328 2.5811 2.0482 1.3455 1.3399 2.8276 1.3050 2.1215 1.2855 1.0545 1.2509 1.0459 1.0508 1.0465 1.0570 1.0485 1.1669 2.8115 1.1090 1.0579 2.5935 2.4371 6.7377 6.6659 5.4612 6.1862 10.2705 5.5625 12.7534 11.6527 13.0901 1.0377 1.0382 1.0841 1.0393 1.0419 1.0845 1.1022 1.0294 1.1025 1.1015 1.1011 1.1020 1.1032 1.1012 1.1083 1.1061 1.0924 1.0892 1.0987 1.0887 1.0941 1.0886 1.0937 1.0956 1.0946 0.0004 0.0006 0.0012 0.0018 0.0033 0.0040 0.0018 0.0033 0.0065 0.0149 0.0155 0.0176 0.0316 0.0103 0.0094 0.0237 0.0421 0.0464 0.0591 0.0373 0.0910 0.0318 0.1037 0.1403 0.0799 0.0404 0.1172 0.1602 0.0997 0.2255 0.1370 0.2269 0.3591 0.3703 0.3763 0.4555 0.3734 0.4673 0.3818 0.5435 0.4526 0.7224 0.3862 0.3967 0.7578 0.5509 0.5571 0.9575 1.0987 1.2170 0.6847 1.0782 0.9938 0.9774 1.5043 1.5508 1.8702 2.0147 1.8926 2.5018 1.9155 1.6134 2.0414 1.5292 1.7892 1.9592 1.9101 3.7464 2.4043 3.1912 2.3446 2.8998 2.0265 0.9182 1.0533 0.9733 0.6660 1.0487 0.7571 0.8808 3.6337 0.9749 1.0043 1.0800 1.7565 0.9683 2.5394 1.7612 1.1528 2.1624 2.6067 1.7865 1.2232 1.2877 1.5293 1.7011 4.7025 3.9536 1.9754 2.7341 5.4831 1.6830 2.6111 1.6009 1.2630 1.2228 4.0872 1.8309 4.0498 2.8836 1.7385 7.5867 3.7553 4.2801 6.6690 1.7534 1.6720 6.5330 2.0526 1.7315 2.6004 1.6986 3.6486 2.9404 1.9382 1.9302 4.0927 1.9037 3.1254 1.9727 1.6464 1.9582 1.6423 1.6534 1.6495 1.6738 1.6671 1.8561 4.4884 1.7830 1.7109 4.3561 4.1057 12.1875 12.2860 10.1554 11.9955 20.0231 10.9082 28.3634 26.2496 32.0497 6.2333 6.2802 6.5640 6.3133 6.3633 6.6486 6.8189 6.3902 6.9230 6.9243 6.9391 6.9678 7.0237 7.0505 7.2137 7.2665 7.1768 7.1677 7.3319 7.2771 7.3266 7.3455 7.3825 7.4046 7.4656 0.1589 0.3507 0.1921 0.7248 0.2855 0.1438 0.0549 0.3738 0.6591 3.8021 1.1434 1.1841 1.6805 0.8902 0.1772 1.0241 0.9197 1.2447 0.5099 2.1781 0.9140 0.4271 5.7600 3.1554 2.3775 1.3612 3.4324 1.3629 1.8955 1.4433 2.3872 1.6740 1.6646 5.2378 2.4990 6.9345 2.4429 2.2154 0.9417 8.4294 11.0645 2.8406 1.3051 0.0909 20.5192 8.2651 0.6740 3.4955 12.5939 9.3030 19.5733 9.0431 9.2011 1.5965 8.4299 33.9662 2.7024 0.3259 4.1369 13.3049 8.1535 7.0433 11.2904 16.8657 31.8333 5.9547 23.2983 52.7332 18.5874 37.0289 53.3736 33.2699 11.8073 11.3804 18.5290 31.2011 0.7366 15.6496 0.0917 0.0061 24.4377 4.5699 0.0768 3.2372 41.0526 0.1095 12.2331 18.6867 1.1304 4.4663 44.5476 48.3489 1.8212 3.4439 16.2293 3.8109 398.2911 76.8552 33.5907 10.5649 22.4883 13.5719 17.9907 154.2951 3.1379 3.0077 15.1299 22.0132 10.7699 1.2640 40.8165 86.9879 600.8013 331.6705 1131.0889 30.7487 1.2706 181.7815 70.0940 22.1850 222.4349 41.0132 717.2488 211.8682 6.3290 12.1991 190.5889 33.0441 47.0797 183.8700 0.9126 83.8357 2.9896 1.0971 4.5198 5.9938 2.5276 43.7804 474.6321 42.6402 8.6845 72.9354 17.3042 175.5763 11.3482 1.5110 39.5313 517.0200 3.4287 877.8836 368.6837 498.8886 62.3903 17.8870 41.3789 52.8722 22.7210 11.6041 38.9488 56.3245 4.1550 29.8470 17.7591 85.1609 44.8932 40.4973 35.0791 18.0238 42.9059 28.3355 4.5544 16.1263 19.7528 13.3726 6.3681 18.2386 19.1232 0.2694 0.6300 1.5694 2.8909 2.2670 3.1444 2.1643 2.4969 2.7706 2.0628 0.5799 1.3297 0.2095 0.7079 0.2531 4.9998 0.3808 0.3083 1.4364 0.4225 1.4512 0.4069 0.8016 1.2869 0.7490 0.2534 1.0767 1.6354 1.9654 1.1786 1.6511 1.5115 2.2069 1.7516 3.8579 0.9160 1.2796 0.7537 2.8397 2.3152 2.1064 1.5246 0.3414 0.8359 3.6398 1.4885 0.6279 3.3698 0.9594 1.4556 0.6114 2.2490 15.3460 4.1894 1.3380 3.1763 5.7647 5.0171 1.9659 3.4653 0.2121 2.0784 1.6402 4.8881 6.8531 3.2647 14.1347 2.0478 24.6883 13.6459 14.1651 1.4726 12.8128 5.5851 3.7001 1.5647 2.6689 1.2164 3.9913 6.3487 6.7725 2.4709 2.6907 2.6387 7.2797 0.3412 4.0028 1.1385 0.7882 0.2534 2.8665 25.5316 0.3280 2.4304 0.4364 0.8228 10.2750 5.7080 3.5127 2.5640 7.2998 2.9548 2.4465 13.9602 5.6933 7.7322 5.1863 5.3278 34.2298 0.9107 16.4475 43.0311 34.1208 4.3446 199.0178 3.8157 3.9880 98.2160 4.6871 6.8736 6.9196 11.6764 74.4698 36.9849 10.2340 11.8728 9.9084 4.0694 1.9956 74.5961 11.0021 18.8219 19.6451 15.3554 15.4846 37.8717 20.1223 53.6974 286.8382 9.7135 2.7801 0.4194 0.8402 48.4124 5.8022 4.3040 109.0047 89.2328 46.3932 50.5049 60.7676 78.8010 165.0344 3.6830 43.2259 215.5613 146.3028 99.5104 100.4112 122.1229 9.9106 56.4953 88.0367 131.1709 51.1951 47.6164 61.2756 73.0496 80.5783 56.4584 42.0091 43.5700 60.6655 47.2067 58.7275 90.8044 111.8368 0.4594 0.7404 0.7488 0.7416 0.6792 0.7285 0.7464 0.7327 0.7500 0.7474 0.7083 0.7222 0.7439 0.7473 0.7120 0.7438 0.4837 0.5840 0.6259 0.6407 0.5901 0.6246 0.5245 0.3757 0.4252 0.6871 0.4231 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0.6669 0.7483 0.1621 0.6941 0.1436 0.1486 0.1405 0.6296 0.8508 0.8563 0.8516 0.8089 0.8429 0.8548 0.8457 0.8571 0.8555 0.8292 0.8387 0.8532 0.8554 0.8318 0.8531 0.6520 0.7374 0.7699 0.7810 0.7422 0.7689 0.6881 0.5462 0.5967 0.8145 0.5946 0.2554 0.7718 0.4637 0.8546 0.8562 0.5095 0.3450 0.8484 0.4102 0.8536 0.8571 0.1193 0.7928 0.4789 0.8456 0.8467 0.5718 0.6622 0.5486 0.8345 0.8561 0.6293 0.7349 0.8454 0.8546 0.4069 0.0939 0.8150 0.0876 0.8489 0.8437 0.8562 0.4283 0.6949 0.7989 0.8343 0.4854 0.3725 0.8497 0.1629 0.8547 0.1306 0.0309 0.2521 0.5287 0.5250 0.8141 0.8498 0.6292 0.8543 0.6966 0.8370 0.8553 0.5643 0.8043 0.7658 0.7087 0.5339 0.8536 0.7115 0.6824 0.2900 0.8568 0.8059 0.4069 0.8381 0.8570 0.8258 0.2894 0.4532 0.5474 0.8552 0.6592 0.8514 0.3674 0.8196 0.2030 0.8566 0.2751 0.3633 0.8035 0.1100 0.8426 0.6192 0.1693 0.2833 0.2576 0.6182 0.7933 0.6536 0.6140 0.6667 0.8101 0.7984 0.8501 0.8342 0.4854 0.4567 0.7759 0.5565 0.8553 0.8098 0.4373 0.8418 0.5691 0.8570 0.8526 0.8564 0.8236 0.8546 0.7385 0.5047 0.2275 0.7670 0.5108 0.8468 0.5276 0.7515 0.7788 0.5288 0.8424 0.6545 0.5377 0.3876 0.3312 0.0971 0.6032 0.1550 0.1076 0.1456 0.4292 0.8570 0.0096 0.8437 0.8561 0.8525 0.8461 0.8390 0.8034 0.8555 0.7824 0.6486 0.5700 0.8001 0.8561 0.2790 0.8195 0.2512 0.2588 0.2464 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 6 6 6 6 6 6 6 6 1 6 6 6 8 7 6 7 6 6 16 6 8 8 6 6 8 6 8 6 6 6 6 6 6 8 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 14.00307 12.00000 12.00000 31.97207 12.00000 15.99491 15.99491 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 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 13790.5680 28890.7079 33614.0313 0.99989 -0.01453 0.00183 0.01456 0.99973 -0.01787 -0.00156 0.01789 0.99984 1 0.00628 0.00300 0.00258 0.13087 0.06247 0.05369 17.82 20.82 29.59 35.87 48.19 58.59 64.58 74.11 77.32 90.98 95.39 103.18 124.21 132.42 142.40 149.81 180.37 196.43 207.89 228.83 244.53 264.74 284.36 292.13 321.77 334.42 348.87 384.76 404.37 419.08 421.82 434.15 459.14 481.62 514.37 520.57 547.81 551.79 570.95 591.63 599.15 634.85 661.29 673.50 680.95 709.09 730.57 780.54 799.04 802.18 839.97 866.52 883.96 886.53 955.46 991.00 998.55 1007.97 1039.68 1049.88 1121.71 1137.48 1140.29 1185.77 1203.94 1237.87 1241.34 1243.60 1268.32 1271.61 1297.18 1300.31 1322.31 1331.49 1340.25 1356.35 1361.85 1379.20 1465.27 1483.02 1521.85 1548.81 1555.52 1567.97 1568.79 1578.67 1585.47 1591.03 1593.75 1607.16 1630.42 1654.19 1684.39 1691.75 1719.20 1720.51 1760.60 1800.36 1801.04 1829.07 1841.62 1857.32 1864.19 1866.90 1868.75 1885.58 1886.46 1891.01 1897.46 1925.13 1939.24 1969.09 1991.68 2012.13 2065.21 2073.32 2087.54 2128.62 2150.23 2171.76 2185.31 2200.24 2228.59 2245.88 2249.74 2249.80 2255.09 2263.88 2275.10 2321.96 2342.09 2345.20 2348.88 2351.23 2353.34 2358.74 2363.54 2364.02 2368.37 2376.75 2383.74 2429.26 2432.88 2520.98 2544.75 2556.08 2610.15 2617.21 2624.87 2795.34 2813.30 2932.98 4594.05 4610.07 4612.30 4619.84 4632.35 4641.17 4662.28 4670.22 4697.11 4699.60 4705.47 4713.35 4729.59 4743.02 4782.01 4804.39 4804.45 4808.40 4842.10 4846.18 4850.51 4869.02 4869.85 4872.95 4895.15 0.508305 0.541232 0.542176 0.437940 -1992.134029 -1992.101102 -1992.100158 -1992.204394 3.496093D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE Cc1ccc(cc1)[C@@H]2C(=C(C(=O)N2c3nc(c(s3)C(=O)OC)C)[O-])C(=O)c4ccc(cc4)OC(C)C C39828066 RHF 6-31G(d) (6D,10F) C1 505.143334 |X|Y|Z| 71.739385 52.019350 116.002551 75.647870 23 6 7 16 20 2 1 |36.858105| |12.604995|36.858105| |7.539671|13.788535|36.858105| |5.001538|7.892968|13.686269|36.858105| |4.401120|6.762038|7.886528|13.789199|36.858105| |5.015616|7.884751|6.914544|8.006841|13.654264|36.858105| |7.545180|13.644574|8.006641|6.925786|7.896791|13.829698|36.858105| |3.251713|4.382090|4.980274|7.503171|12.449916|7.488432|4.992479|36.858105| |3.035019|3.977436|4.797076|7.379157|8.963481|5.597882|4.199508|17.547929|0.500000| |2.878355|3.696465|3.968418|5.249451|7.433752|6.051685|4.292514|12.547137|0.241932|36.858105| |2.553881|3.162719|3.244275|4.005973|5.438488|5.112004|3.762515|7.891361|0.166437|13.555868|36.858105| |2.556389|3.167954|3.246924|4.013048|5.470534|5.144053|3.775993|7.957047|0.170005|8.078658|12.375224|36.858105| |2.291914|2.750407|2.773333|3.283575|4.192932|4.128865|3.237237|5.393221|0.126802|5.439348|7.786771|16.087814|73.516695| |2.915174|3.758425|4.013204|5.314695|7.700580|6.296139|4.405030|12.909429|0.253889|8.140192|8.064548|13.581576|14.689715|53.358707| |2.840363|3.574471|3.843189|4.872421|6.128750|5.202553|4.013358|7.635264|0.194533|5.209880|5.170106|7.793113|11.809351|19.013916|36.858105| |2.615370|3.162696|3.255616|3.829871|4.603448|4.360756|3.574875|5.185887|0.132232|4.071691|4.325204|6.475720|11.828203|11.035963|14.793199|53.358707| |2.466064|2.895120|3.015857|3.433708|3.816000|3.582401|3.123760|4.083012|0.110967|3.262236|3.344729|4.479583|8.187366|7.390512|8.670885|19.040465|36.858105| |2.527601|2.975780|3.234461|3.727087|3.911086|3.477800|3.075420|4.138366|0.119650|3.202145|3.124575|3.958349|6.834065|6.867440|7.818906|11.247560|14.014013|36.858105| |2.826409|3.502245|4.046223|5.162987|5.426186|4.291388|3.593979|6.107882|0.192746|4.206974|3.838644|4.788530|7.515897|9.574729|10.915292|10.114689|7.488587|10.892618|388.023441| |2.318063|2.633034|2.869118|3.169511|3.160902|2.852081|2.632709|3.242802|0.095375|2.619264|2.536413|3.044576|5.305978|4.998351|4.917440|6.980404|7.494240|13.058766|48.234330|36.858105| |2.116111|2.346431|2.496362|2.685673|2.694338|2.507393|2.355588|2.741737|0.079102|2.289983|2.255578|2.682046|4.786673|4.223744|3.981091|5.955315|6.299902|8.026468|34.340739|15.933956|73.516695| |2.341830|2.654665|2.990324|3.309086|3.152822|2.764992|2.575488|3.208418|0.097857|2.583022|2.432003|2.819796|4.791076|4.666880|4.343303|5.660164|5.260073|8.254756|46.996967|14.297759|15.309122|73.516695| |2.111493|2.320945|2.584005|2.763140|2.600726|2.331440|2.224022|2.613301|0.078939|2.181799|2.063991|2.333728|4.006846|3.723484|3.287755|4.376537|3.922216|5.259463|31.668305|8.143835|12.936255|24.005992|36.858105| |2.198436|2.490014|2.522597|2.758088|3.020843|2.966520|2.685371|3.155594|0.084962|2.679679|2.811205|3.619208|6.964911|5.430985|5.338573|10.663590|12.712151|7.419807|33.674734|5.966242|10.940283|7.548773|3.476584|36.858105| |2.279264|2.729288|2.746777|3.239801|4.123637|4.084823|3.213008|5.275751|0.121926|7.898339|15.763884|8.023099|11.889167|7.436133|4.011646|4.889079|2.875370|2.665863|22.180982|2.221791|3.580313|3.781259|1.839745|2.515601|73.516695| |2.814709|3.524607|3.808200|4.796719|5.890366|5.011216|3.917232|7.293865|0.177104|13.253489|7.576065|5.070598|6.969352|6.943698|3.809880|4.265469|2.647483|2.651227|24.032077|2.258371|3.553488|4.040730|1.968037|2.240284|10.988242|36.858105| |2.585370|3.117706|3.237138|3.807762|4.507645|4.225015|3.484039|5.131011|0.126521|8.090809|6.451068|4.316460|6.273559|5.545966|3.173841|3.711877|2.329154|2.301339|19.963069|1.990899|3.183097|3.540556|1.751553|2.023346|11.074381|15.729536|73.516695| |2.885088|3.587330|4.138450|5.265662|5.554035|4.416909|3.688914|6.216543|0.177573|7.490350|4.947857|3.928645|5.642368|5.824485|3.457061|3.856316|2.487386|2.581919|23.824582|2.251660|3.520678|4.145872|2.036092|2.099675|7.453743|12.537791|14.583653|36.858105| |3.027156|3.650254|4.152479|4.799481|4.693944|4.019672|3.615223|4.600990|0.128357|5.168731|3.836970|3.167041|4.716974|4.648235|2.886296|3.325061|2.187939|2.271359|20.214742|2.024846|3.204420|3.744909|1.874022|1.883363|6.081876|7.602176|11.829964|13.755423|36.858105| |2.872075|3.329334|3.886245|4.280532|3.878260|3.333535|3.135493|3.738116|0.109160|3.899329|3.062171|2.659610|4.061823|3.948474|2.561036|2.986971|2.015739|2.127635|18.710921|1.940533|3.079993|3.651761|1.856095|1.747444|4.921731|5.012899|8.061612|7.861819|13.729070|36.858105| |2.619303|3.026643|3.637749|4.121256|3.646307|3.036730|2.826908|3.655458|0.113071|3.657334|2.902716|2.593812|3.986189|3.909217|2.590563|3.002967|2.055313|2.210961|19.671428|2.037535|3.212877|3.905255|1.991151|1.770912|4.631027|4.407780|6.860873|6.792812|7.941760|13.728341|36.858105| |2.516943|2.979274|3.613712|4.388493|3.995520|3.187355|2.851884|4.318312|0.142493|4.258785|3.303539|2.962670|4.495423|4.527856|2.974144|3.370900|2.293323|2.489780|22.908829|2.265435|3.526363|4.360214|2.186153|1.943810|5.158887|4.978226|7.308031|7.880142|6.919283|7.949388|13.710887|36.858105| |2.627768|3.213704|3.839869|4.971346|4.917510|3.779394|3.207700|5.834576|0.195335|6.087330|4.335411|3.713174|5.429020|5.680052|3.519559|3.880136|2.556697|2.728882|25.840117|2.402894|3.716934|4.521605|2.215900|2.136163|6.529987|7.446471|9.737389|13.692748|8.019734|6.892538|7.929376|13.786759|36.858105| |2.393799|2.670685|3.175046|3.435357|3.005093|2.569744|2.454866|2.977345|0.091781|2.921691|2.418425|2.219275|3.483001|3.329375|2.272805|2.684120|1.873373|2.029940|17.597718|1.913839|3.042522|3.709984|1.931601|1.633472|3.916350|3.355148|5.394992|4.579740|5.179853|7.813426|14.019731|8.194882|5.286279|73.516695| |2.313543|2.498271|2.884052|2.975956|2.624459|2.326159|2.280439|2.539993|0.075920|2.520109|2.134395|1.961321|3.114081|2.902575|1.992859|2.395144|1.678469|1.801210|15.205730|1.712236|2.755505|3.293086|1.736889|1.484620|3.511587|2.889586|4.812338|3.729922|4.436683|6.546650|7.867559|5.225381|3.954207|24.037830|36.858105| |2.141592|2.266516|2.608243|2.646423|2.319324|2.070359|2.051129|2.240521|0.067266|2.177758|1.880645|1.767038|2.839634|2.623585|1.840763|2.235764|1.591583|1.721877|14.293711|1.666823|2.697102|3.239105|1.738619|1.417478|3.100278|2.409763|4.008332|2.978791|3.347411|4.407864|5.258412|4.117624|3.218125|14.484637|12.523197|36.858105| |2.039727|2.189135|2.448898|2.541796|2.330308|2.105256|2.050658|2.302259|0.067815|2.360417|2.034766|1.844923|2.951158|2.668798|1.817649|2.205127|1.537814|1.629364|13.575415|1.545015|2.506491|2.935744|1.551996|1.372881|3.413046|2.749813|4.739012|3.444218|4.093880|5.632665|6.082445|4.436598|3.559247|14.001637|12.488878|7.541657|36.858105| |17.529995|8.827296|5.872060|4.288058|3.946506|4.595206|6.703155|3.010687|0.077485|2.773693|2.479434|2.427365|3.883169|3.667036|2.572742|3.243736|2.227235|2.255136|17.861215|2.068827|3.385068|3.701607|1.891263|2.008830|3.997572|2.777207|4.642967|2.822972|3.034144|2.862888|2.549986|2.413011|2.520816|4.138340|2.286416|2.096871|2.044723|0.500000| |17.528867|8.826251|5.870481|4.288916|3.946449|4.590410|6.698421|3.008083|0.077786|2.655174|2.418713|2.475818|4.013275|3.818006|2.796929|3.597936|2.522167|2.555852|19.632210|2.358726|3.873872|4.174323|2.126165|2.285364|3.862268|2.543111|4.178708|2.556519|2.626296|2.488447|2.308361|2.253101|2.360538|3.785149|2.055071|1.926843|1.831425|0.302300|0.500000| |17.563899|8.834028|7.229526|4.733639|3.939586|4.167111|5.562133|3.003892|0.080236|2.652692|2.339479|2.340370|3.744607|3.644430|2.641128|3.299246|2.328202|2.434754|19.374152|2.279596|3.699664|4.173516|2.145687|2.077176|3.723318|2.627585|4.281352|2.774982|2.946559|2.895783|2.679442|2.539826|2.582355|4.442488|2.438663|2.290624|2.115487|0.301719|0.301723|0.500000| |6.969658|8.931355|17.688924|8.921640|5.634589|4.971481|5.665294|4.076114|0.114395|3.358287|2.792722|2.792499|4.324569|4.598568|3.317316|3.898675|2.734936|2.990723|25.997439|2.751560|4.283608|5.230545|2.603825|2.322049|4.287567|3.309189|5.093843|3.724130|3.850313|3.838907|3.687333|3.562270|3.585495|5.940551|3.074441|2.839249|2.544541|0.151715|0.151628|0.221396|0.500000| |4.088520|5.639426|8.928217|17.711185|8.942055|5.669489|4.979020|6.964948|0.227184|4.945213|3.757519|3.758775|5.522014|6.736967|4.659569|4.935175|3.338245|3.765270|38.815908|3.265678|4.853731|6.297113|2.952409|2.667290|5.447885|4.636577|6.479609|5.516721|4.893638|4.596950|4.758021|5.308098|5.799650|7.022557|3.281938|2.929187|2.739080|0.099466|0.099450|0.112990|0.216784|0.500000| |4.097420|5.628491|4.974347|5.677577|8.905503|17.725200|8.964417|6.971526|0.140680|6.376294|6.021304|6.071154|8.623308|9.079079|5.219464|6.204096|3.594609|3.340186|28.220482|2.715480|4.302575|4.585680|2.184667|3.032802|8.572731|5.016690|7.810037|4.090955|3.662639|3.009822|2.747040|2.906764|3.486475|4.155006|2.126589|1.896124|1.962621|0.108487|0.108238|0.095977|0.107851|0.124429|0.500000| |7.008139|8.889810|5.672152|4.976544|5.632426|8.968362|17.680736|4.081377|0.096480|3.716861|3.432511|3.444673|5.424791|5.183524|3.512742|4.455948|2.880006|2.771645|22.020999|2.403575|3.899835|4.128850|2.034957|2.559600|5.400074|3.434876|5.659522|3.173172|3.150944|2.757632|2.481369|2.484334|2.767302|3.887390|2.063487|1.868503|1.884029|0.190596|0.190272|0.140394|0.124251|0.107917|0.217197|0.500000| |2.151324|2.325897|2.550022|2.655450|2.493091|2.281002|2.216133|2.446772|0.072498|2.055098|1.951872|2.200921|3.794698|3.486607|3.059579|4.155135|3.730493|4.778689|28.119041|7.200441|12.892480|16.452204|17.625154|3.428966|3.108395|1.861465|2.965756|1.917276|1.785068|1.767933|1.874920|2.026753|2.053625|3.240341|1.658697|1.663874|1.483287|0.053295|0.060948|0.060892|0.071725|0.077283|0.059305|0.056783|0.500000| |1.900530|2.079849|2.285940|2.453648|2.355077|2.129921|2.020299|2.412273|0.072521|2.051971|1.968411|2.228984|3.883116|3.481775|3.051643|4.142529|3.722683|4.776272|28.094233|7.197582|12.901434|16.452086|17.624984|3.421057|3.149026|1.852403|2.952411|1.901481|1.746019|1.725601|1.850531|2.036827|2.070272|3.196690|1.621237|1.623178|1.464110|0.047819|0.053201|0.053349|0.063553|0.072467|0.056224|0.051825|0.300471|0.500000| |2.109779|2.312744|2.620107|2.796698|2.572554|2.278233|2.182510|2.575989|0.079011|2.159957|2.014459|2.234283|3.790713|3.564994|3.059652|3.957983|3.391715|4.429263|29.644271|5.939068|9.238835|16.964665|17.648893|2.977106|3.193429|1.976704|3.122278|2.082144|1.926968|1.934937|2.103565|2.307889|2.294745|3.672386|1.850417|1.872448|1.639351|0.052546|0.058348|0.060291|0.074684|0.084815|0.058800|0.055165|0.298648|0.298620|0.500000| |2.009528|2.269769|2.296770|2.527429|2.799816|2.752251|2.466994|3.010478|0.080880|2.633730|2.835464|3.678200|7.417949|5.236953|4.907800|9.634430|9.012854|5.858195|29.760677|4.832195|8.840245|6.504631|3.072071|17.559523|4.584759|2.199876|3.562036|2.039199|1.820568|1.683157|1.705311|1.878328|2.074495|2.793393|1.428427|1.360577|1.331924|0.051651|0.057585|0.052733|0.058782|0.068272|0.079636|0.065766|0.082880|0.085959|0.074417|0.500000| |2.083761|2.320915|2.369094|2.553241|2.713365|2.641645|2.444253|2.797211|0.076871|2.388836|2.462851|3.054812|5.758702|4.600741|4.382789|7.740814|8.855771|6.950680|30.624966|6.730728|14.356566|8.138087|3.866644|17.685385|3.950587|2.039337|3.286292|1.944694|1.760791|1.654589|1.688475|1.845528|1.996469|2.799134|1.435607|1.383390|1.324986|0.052786|0.060339|0.055373|0.061635|0.069478|0.073751|0.064750|0.107804|0.107689|0.089272|0.298944|0.500000| |2.307312|2.593158|2.560166|2.744222|3.029237|3.086809|2.838173|3.067289|0.080691|2.630543|2.772665|3.531066|6.790991|5.221911|4.907753|9.636981|9.003824|5.864048|29.772448|4.855556|8.890014|6.533487|3.087266|17.555656|4.439868|2.208945|3.575075|2.055229|1.862101|1.720853|1.723803|1.870020|2.055943|2.822739|1.453930|1.384890|1.346171|0.058600|0.067605|0.059878|0.065004|0.072190|0.088570|0.076480|0.086653|0.083079|0.074742|0.303152|0.299108|0.500000| |3.124519|3.713251|3.989986|4.384951|4.450211|4.097846|3.767173|4.210187|0.111626|4.880658|3.776980|3.075002|4.619879|4.400089|2.724856|3.196062|2.092411|2.138233|18.583078|1.905559|3.043435|3.481581|1.749677|1.822729|6.143634|7.137897|12.733772|8.983149|17.736526|8.933270|5.653117|4.977873|5.690266|7.424757|3.844822|2.982050|3.671082|0.089535|0.075005|0.083005|0.101328|0.117320|0.105511|0.093147|0.046693|0.045397|0.049609|0.049023|0.047204|0.050567|0.500000| |2.851382|3.184754|3.609560|3.746745|3.386144|3.035970|2.959050|3.179342|0.090979|3.303037|2.691559|2.365032|3.668219|3.473469|2.286337|2.714840|1.846503|1.939658|16.649850|1.787760|2.864583|3.355667|1.725734|1.621237|4.405697|4.113156|6.957990|5.634003|8.961366|17.755087|8.854795|5.635969|4.965570|12.375422|7.182244|4.659939|6.339036|0.080496|0.068309|0.080716|0.101208|0.108532|0.076488|0.073607|0.046044|0.044620|0.049963|0.043348|0.042825|0.044612|0.217175|0.500000| |2.300773|2.678974|3.231869|3.859929|3.507422|2.831941|2.555608|3.835235|0.128990|3.681726|2.978782|2.757634|4.260391|4.216409|2.856926|3.266409|2.262781|2.491932|22.735246|2.305033|3.585101|4.507487|2.280807|1.922306|4.692712|4.052811|6.101267|5.610861|4.976833|5.664524|8.964618|17.724459|8.880046|13.515245|4.872854|4.145896|4.146038|0.060857|0.057987|0.065011|0.090071|0.131160|0.072333|0.062418|0.058105|0.059274|0.067719|0.051671|0.051135|0.050906|0.107964|0.124142|0.500000| |2.451440|2.992756|3.523453|4.615833|4.791970|3.667153|3.047301|6.352503|0.229684|6.512072|4.759790|4.165631|6.049324|6.383507|3.926206|4.254654|2.783798|2.977507|28.789455|2.586018|3.969720|4.844189|2.342945|2.297433|7.034980|6.882922|9.018616|8.919030|5.681408|4.962678|5.651151|8.965903|17.719837|7.612581|3.316246|2.825573|3.037860|0.064843|0.062265|0.066539|0.090727|0.149047|0.096152|0.073558|0.059595|0.061258|0.066984|0.062450|0.059370|0.060640|0.124815|0.107746|0.214866|0.500000| |2.576353|2.758297|3.177912|3.187020|2.772824|2.484214|2.478062|2.605659|0.076659|2.576379|2.171634|1.992115|3.152786|2.958155|2.025134|2.435742|1.701128|1.817966|15.329778|1.721507|2.771847|3.293856|1.731468|1.505226|3.563326|2.965319|4.952177|3.808839|4.760330|7.178485|7.254371|4.799997|3.839633|16.550036|17.561145|8.945314|8.855226|0.071322|0.062634|0.076019|0.095096|0.095730|0.062477|0.062179|0.046273|0.044665|0.050984|0.040069|0.040344|0.041210|0.117562|0.250376|0.119306|0.088745|0.500000| |2.045970|2.124449|2.395676|2.386029|2.112179|1.920356|1.924359|2.026296|0.059977|1.982539|1.732704|1.629405|2.635474|2.399740|1.687081|2.069073|1.475177|1.585015|12.967292|1.539513|2.510559|2.971203|1.605104|1.325306|2.879952|2.188773|3.695123|2.640010|2.989805|3.819658|4.231486|3.393897|2.775236|10.276986|8.826432|17.543762|6.861104|0.056186|0.051306|0.060955|0.072409|0.071840|0.049100|0.049210|0.042984|0.041751|0.047788|0.035368|0.035984|0.036122|0.076156|0.116478|0.093661|0.068423|0.213301|0.500000| |2.294281|2.423935|2.838702|2.849313|2.438782|2.161609|2.156168|2.323785|0.070214|2.208684|1.901187|1.808440|2.902815|2.720483|1.928932|2.337681|1.675391|1.829927|15.229562|1.782401|2.873124|3.499220|1.883479|1.486319|3.106177|2.402735|3.941347|2.961550|3.276360|4.222050|5.059993|4.101127|3.223632|13.123751|8.848903|17.575758|5.497818|0.061606|0.057225|0.069131|0.087925|0.088686|0.054441|0.054195|0.050132|0.048433|0.056814|0.039387|0.040422|0.040309|0.080907|0.121077|0.115889|0.079160|0.215658|0.300208|0.500000| |1.949718|2.074307|2.376345|2.452710|2.181194|1.941408|1.902471|2.150627|0.065064|2.097254|1.825769|1.720904|2.778833|2.542981|1.790657|2.179682|1.557116|1.687724|13.959191|1.640995|2.659433|3.197689|1.724898|1.389266|3.021105|2.305093|3.837770|2.823088|3.073522|3.915083|4.824988|4.024950|3.126450|13.064662|8.847797|17.559410|6.857501|0.052862|0.049250|0.057432|0.070955|0.075852|0.049811|0.048287|0.045574|0.045032|0.051777|0.037189|0.037750|0.037516|0.075776|0.110612|0.117959|0.077719|0.174383|0.300239|0.301084|0.500000| |2.087060|2.263076|2.510984|2.634088|2.456958|2.226120|2.149339|2.444462|0.071315|2.567551|2.200264|1.958591|3.116116|2.808094|1.884582|2.279186|1.573412|1.654245|13.851514|1.552652|2.516093|2.926179|1.534134|1.402358|3.709191|3.080606|5.398684|3.898984|4.811898|6.671164|6.522759|4.700655|3.892199|12.550043|8.776593|5.486393|17.591819|0.058545|0.051908|0.059361|0.071142|0.077984|0.057968|0.054886|0.040714|0.040257|0.044693|0.037903|0.037382|0.038269|0.120212|0.212069|0.116445|0.090633|0.210107|0.139907|0.123099|0.140762|0.500000| |1.960720|2.065350|2.274290|2.312853|2.126427|1.954572|1.930010|2.077458|0.060486|2.126569|1.858513|1.694689|2.730846|2.439625|1.671332|2.047033|1.432674|1.511715|12.425017|1.440747|2.352546|2.727826|1.451817|1.289153|3.139529|2.449208|4.275890|2.967244|3.519887|4.587982|4.651683|3.575499|2.997413|10.096311|8.817896|6.813276|17.536795|0.055046|0.049041|0.056715|0.065963|0.068193|0.050769|0.049742|0.038784|0.038093|0.042511|0.034733|0.034642|0.035250|0.091209|0.149460|0.093646|0.072432|0.213202|0.202995|0.139961|0.167378|0.301042|0.500000| 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