Version2.2 2021-02-10T01:18:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 06-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1C)CC(=O)N(CCC[NH+](C)C)c2nc3c(ccc(c3s2)C)C C10699224 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1C)CC(=O)N(CCC[NH+](C)C)c2nc3c(ccc(c3s2)C)C C01[X(C24H32N3O1S1)] 177 C1 503 C[NH+](CCCN(c1nc2c(s1)c(C)ccc2C)C(=O)Cc1ccc(c(c1)C)C)C C[NH+](CCCN(c1nc2c(s1)c(C)ccc2C)C(=O)Cc1ccc(c(c1)C)C)C C[NH+](C)CCCN(C(=O)Cc1ccc(C)c(C)c1)c2sc3c(C)ccc(C)c3n2 InChIKey=SXZYUMWLPZUTIS-UHFFFAOYSA-O InChI=1S/C24H31N3OS/c1-16-10-11-20(14-19(16)4)15-21(28)27(13-7-12-26(5)6)24-25-22-17(2)8-9-18(3)23(22)29-24/h8-11,14H,7,12-13,15H2,1-6H3/p+1 InChI=1/C24H31N3OS/c1-16-10-11-20(14-19(16)4)15-21(28)27(13-7-12-26(5)6)24-25-22-17(2)8-9-18(3)23(22)29-24/h8-11,14H,7,12-13,15H2,1-6H3/p+1/fC24H32N3OS/h26H/q+1 Cc1ccc(cc1C)CC(=O)N(CCC[NH+](C)C)c2nc3c(ccc(c3s2)C)C C01[X(C24H32N3O1S1)] 177 C01 503 C[NH+](CCCN(c1nc2c(s1)c(C)ccc2C)C(=O)Cc1ccc(c(c1)C)C)C C[NH](CCCN([C]1=N[C]2[C]([C]([CH][CH][C]2C)C)S1)C(=O)C[C]1[CH][CH][C]([C]([CH]1)C)C)C C[C]1[CH][CH][C]([CH][C]1C)CC(=O)N(CCC[NH](C)C)C2=N[C]3[C](C)[CH][CH][C](C)[C]3S2 InChIKey=GHCXICPHYNVONB-UHFFFAOYSA-N InChI=1S/C24H32N3OS/c1-16-10-11-20(14-19(16)4)15-21(28)27(13-7-12-26(5)6)24-25-22-17(2)8-9-18(3)23(22)29-24/h8-11,14,26H,7,12-13,15H2,1-6H3 InChI=1/C24H32N3OS/c1-16-10-11-20(14-19(16)4)15-21(28)27(13-7-12-26(5)6)24-25-22-17(2)8-9-18(3)23(22)29-24/h8-11,14,26H,7,12-13,15H2,1-6H3 2886.4490780666 -1563.024251 1-A 17715.9880 110 393 503 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.05595 -20.63806 -15.86678 -15.71961 -15.65116 -11.45861 -11.44918 -11.44577 -11.44567 -11.44242 -11.39668 -11.38111 -11.34330 -11.33848 -11.33242 -11.31937 -11.31683 -11.31258 -11.30599 -11.30378 -11.29936 -11.29597 -11.29459 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35.2240 45.3803 62.4313 70.1253 99.4023 104.4864 105.7850 125.5163 129.7331 139.7186 146.5391 154.9165 156.1075 167.6532 184.8472 198.6935 213.9907 223.1057 231.6200 261.1857 264.8732 288.5347 303.6461 313.5620 327.9507 338.3409 362.9208 372.7567 383.2203 405.2796 422.4495 463.1901 472.2815 477.2832 492.9833 493.6394 525.4757 537.0134 540.6635 572.9871 595.1426 599.7583 601.5553 618.0996 642.1980 649.7589 688.6475 724.6531 739.3762 778.1948 785.7909 803.3541 808.2483 821.1404 843.7462 861.7148 881.4691 920.1073 927.4512 949.8375 962.5027 997.5967 1005.1434 1023.0592 1024.5879 1052.2762 1063.0784 1070.1271 1072.5002 1074.1559 1092.6662 1107.5772 1115.5063 1124.3695 1141.5858 1156.4525 1156.6763 1164.3481 1170.9043 1173.5008 1174.7576 1182.6872 1201.1796 1239.7728 1240.1753 1243.4020 1266.5607 1285.4096 1296.3544 1301.6356 1332.1587 1352.4851 1355.7099 1364.2270 1368.6603 1371.0330 1397.2453 1404.9256 1428.2736 1439.8075 1441.6632 1454.0660 1472.3986 1491.9391 1539.3312 1542.7368 1549.6066 1563.8440 1564.3483 1570.6670 1576.1582 1576.4608 1580.6740 1582.0182 1583.2793 1592.4643 1613.1553 1616.2313 1621.9057 1624.8459 1626.4665 1629.4574 1632.6181 1637.8007 1638.1133 1639.5904 1639.9725 1640.2538 1642.5496 1643.9300 1655.4078 1657.8130 1660.4903 1664.7786 1680.8830 1708.8043 1779.1373 1780.9115 1800.0012 1824.3636 1996.2010 3181.0406 3204.1381 3204.6375 3205.7780 3208.0486 3210.2140 3239.9984 3255.4442 3256.3798 3256.9542 3259.6557 3262.2521 3269.7865 3275.1109 3286.0209 3288.5452 3289.2639 3297.1978 3297.2891 3321.8692 3342.2225 3345.8984 3350.9459 3360.9596 3364.2767 3364.7684 3367.9208 3370.0025 3370.6872 3380.0641 3389.8711 3696.4053 3.5209 3.7709 4.1603 3.7506 4.5223 3.3272 4.6468 4.9915 2.3162 3.4818 3.4588 1.2575 1.0628 1.2251 3.2995 1.6001 3.2963 4.6944 1.1875 3.6413 3.0740 2.0920 1.6930 2.4075 1.3012 3.5810 3.2883 2.4624 2.6054 3.7198 3.4302 3.9278 4.2850 4.6016 3.4338 2.5877 6.2706 2.6971 2.8560 2.3572 5.0199 3.6399 3.8095 4.0021 3.9024 3.6452 4.1773 3.8103 4.0796 4.3061 4.8421 7.3935 8.5696 4.9617 3.3468 5.4776 4.2988 1.3676 6.5226 2.6089 3.0196 1.8845 1.2243 2.1887 2.4444 2.3841 1.6705 3.0476 2.4529 2.3215 2.2026 1.3671 1.3323 3.1439 1.6399 2.8867 1.6330 1.5924 1.2906 1.4532 1.9779 2.1864 1.5041 1.5430 1.6421 1.6178 3.5722 2.6850 2.1383 2.4764 1.6249 1.6941 1.7291 3.3388 1.8989 3.2253 1.9406 1.9010 2.2915 1.5549 1.8722 2.3253 1.6059 4.2297 1.4153 1.3858 1.1375 1.5057 1.2836 3.0494 1.9985 1.2810 1.3419 1.2550 1.2413 1.2490 2.0030 1.2845 1.3308 1.2388 1.0983 1.1331 1.0741 1.0452 1.0561 1.0432 1.1206 1.0504 1.1708 1.0447 1.1163 1.1132 1.0736 1.0735 1.1319 1.1188 1.0854 3.0195 2.4083 5.7779 5.7618 5.7628 7.3571 5.6818 12.5026 1.0499 1.0390 1.0387 1.0739 1.0381 1.0634 1.0888 1.1001 1.1025 1.1021 1.1020 1.0360 1.0533 1.0368 1.1019 1.1018 1.1006 1.0972 1.0724 1.0925 1.0895 1.1079 1.0917 1.0897 1.1087 1.1015 1.1104 1.0949 1.1100 1.0951 1.1087 1.0785 0.0002 0.0004 0.0007 0.0018 0.0033 0.0040 0.0107 0.0145 0.0135 0.0224 0.0228 0.0117 0.0105 0.0141 0.0417 0.0226 0.0473 0.0777 0.0239 0.0847 0.0829 0.0614 0.0535 0.0968 0.0538 0.1756 0.1786 0.1426 0.1651 0.2509 0.2662 0.3215 0.3708 0.4453 0.3611 0.3271 0.8241 0.3620 0.4090 0.3384 0.8167 0.6185 0.6561 0.7741 0.8144 0.7725 0.8906 0.8577 0.9913 1.0711 1.3529 2.2875 2.7602 1.7703 1.2176 2.0828 1.6546 0.5433 2.7358 1.1414 1.3823 0.9400 0.6205 1.1634 1.3342 1.3979 0.9944 1.8794 1.5171 1.5145 1.4666 0.9224 0.9029 2.1373 1.1536 2.0864 1.1973 1.1861 0.9909 1.1450 1.5591 1.7464 1.2150 1.2519 1.3352 1.3332 3.0367 2.4315 1.9377 2.2557 1.5357 1.6492 1.7121 3.3329 1.9855 3.4760 2.1015 2.0845 2.5291 1.7220 2.1535 2.7042 1.9301 5.1661 1.7331 1.7263 1.4529 1.9746 1.7920 4.2762 2.8275 1.8457 1.9348 1.8242 1.8168 1.8288 2.9487 1.8942 1.9656 1.8510 1.6839 1.7440 1.6647 1.6258 1.6460 1.6319 1.7598 1.6600 1.8511 1.6547 1.7689 1.7646 1.7067 1.7093 1.8275 1.8117 1.7633 4.9306 4.0090 9.9405 10.7456 10.7687 14.0444 11.1418 29.3534 6.2592 6.2846 6.2851 6.5028 6.2948 6.4568 6.7341 6.8694 6.8879 6.8877 6.8987 6.4961 6.6352 6.5525 7.0103 7.0204 7.0156 7.0277 6.8693 7.1031 7.1705 7.3078 7.2223 7.2524 7.3935 7.3476 7.4209 7.3266 7.4304 7.3714 7.5065 8.6818 5.3474 0.6068 0.6062 3.5259 1.0322 2.4988 3.0267 1.5295 1.1165 1.7800 2.3881 0.7154 0.0150 0.3074 1.0889 0.4412 0.3452 1.9955 0.2882 6.9934 3.6410 0.9064 0.1240 1.5907 1.1447 8.0350 1.0142 2.5289 0.3530 0.8860 0.1122 3.1900 12.2068 0.3254 2.6351 2.7264 6.6781 1.1364 2.0736 0.1242 1.8709 1.7726 2.8991 0.3906 0.3098 8.0096 1.8263 4.1970 4.2888 10.9903 6.1721 14.5712 6.3671 14.3714 1.8235 17.0763 18.8208 5.9605 3.4544 29.7334 3.3222 21.4432 27.6194 1.6549 11.5775 1.9110 3.2481 65.5734 1.4453 3.3152 2.1909 0.5551 0.0088 22.9635 2.4917 38.7771 3.8226 13.3692 2.5316 3.1742 9.7294 1.5614 0.6762 42.6419 78.0776 0.0128 13.2151 0.5478 5.0135 0.5789 201.1897 29.3381 1.3580 8.7842 4.5334 16.4774 90.2360 9.9877 41.6256 89.7285 16.1485 14.8585 49.2208 235.9885 6.9248 23.3824 28.4403 4.8479 21.9129 101.7684 149.0092 0.2497 8.5097 2.0394 14.7764 22.6750 9.3989 16.6110 17.7440 21.8144 11.7701 2.2344 5.8484 0.0335 2.5404 9.0418 10.5836 14.6379 14.3556 14.1027 10.5197 14.2036 16.7658 75.0767 9.9995 44.3046 52.3509 15.5233 28.8019 334.1176 3.2252 10.8820 6.9823 2.7365 232.3351 100.9783 19.8506 8.6222 28.9445 68.5206 21.9053 36.7230 14.3611 19.1365 1.9438 44.4585 2.2744 8.5012 2.6367 43.5987 5.5998 26.1454 26.3186 9.5464 4.6225 22.4271 1.5125 23.2772 11.8966 2.9824 16.2969 2.5839 25.4762 3.5030 25.1387 1.7439 52.1225 0.3089 3.9944 3.4798 2.5125 2.4643 1.7849 0.3830 0.5920 0.2020 1.4918 0.7415 0.1458 0.1108 0.4687 0.1009 1.0051 0.9077 0.4626 0.4548 1.0402 1.8223 0.6500 0.7555 0.3405 0.1619 1.6454 0.3609 0.8492 0.4234 1.0524 2.6969 1.3008 3.0206 1.2072 1.0308 0.9727 5.4272 0.6878 0.1884 1.7883 14.2821 5.6509 2.7186 3.7799 0.4135 2.5289 5.4652 1.7727 1.8779 5.3119 1.8798 2.7969 7.2286 5.3731 0.8132 11.5521 17.8877 2.6260 2.1651 3.1852 5.6396 2.9573 0.8406 6.1871 2.1437 19.9804 8.9331 4.7554 3.4752 1.4256 6.1143 2.7033 2.7483 6.0775 3.0858 12.5659 0.3190 2.2065 3.2610 1.2000 6.1188 4.4149 0.3528 0.8241 0.6107 0.1245 0.8892 8.1054 5.3206 3.8621 1.5281 2.0825 3.4515 1.3853 0.7219 34.1026 5.0872 10.9707 7.5505 5.7338 7.5579 48.7880 10.9607 43.1358 2.6323 1.5405 21.2105 1.9290 8.3733 29.1856 34.8220 8.1032 15.2777 13.7633 11.2242 16.3347 5.9187 1.8414 4.6678 3.1932 13.1171 3.0129 3.4657 25.8708 21.9930 20.5829 20.2870 24.1952 4.6696 11.1430 27.5938 13.1216 8.2114 17.8061 9.7273 8.1059 3.1439 29.3773 4.5775 184.6264 15.2419 7.4242 62.7288 63.1578 21.5812 181.9391 133.8858 8.4793 76.9599 255.9060 112.0874 77.6538 39.1786 62.0252 6.9786 160.5007 20.9460 35.7494 194.6497 3.4815 109.7955 83.1661 65.4084 85.5643 31.5535 58.7789 23.4214 51.1660 71.9631 23.2081 58.9680 47.0392 140.6850 92.6341 222.6882 36.6456 34.8025 0.7444 0.7497 0.7496 0.7477 0.7311 0.7344 0.7277 0.6859 0.7460 0.7221 0.7287 0.7499 0.7399 0.7221 0.2292 0.7181 0.3301 0.3288 0.7265 0.3028 0.4117 0.6518 0.4849 0.7341 0.6027 0.5289 0.3008 0.7194 0.1169 0.7376 0.6850 0.7497 0.7496 0.5409 0.7144 0.5171 0.7396 0.7144 0.6715 0.3488 0.3156 0.0796 0.7369 0.5603 0.4470 0.2725 0.5842 0.2017 0.2764 0.2260 0.4423 0.5696 0.1806 0.2176 0.4666 0.2664 0.0571 0.1117 0.7465 0.3751 0.3072 0.1534 0.7396 0.3000 0.3412 0.0577 0.2159 0.7474 0.2944 0.3250 0.2387 0.5616 0.7500 0.6529 0.5632 0.5306 0.4795 0.5723 0.3069 0.6540 0.3107 0.7500 0.6988 0.5860 0.7139 0.6968 0.7498 0.2094 0.3305 0.6124 0.2708 0.4341 0.4984 0.2585 0.7500 0.1793 0.7332 0.2341 0.0638 0.6895 0.4145 0.2623 0.2876 0.3135 0.3657 0.7412 0.6690 0.7428 0.2724 0.2716 0.3625 0.7473 0.7439 0.2636 0.3286 0.5567 0.6678 0.6882 0.7489 0.6728 0.6373 0.7437 0.7245 0.7500 0.7179 0.7500 0.7456 0.7067 0.6542 0.7409 0.6006 0.4539 0.7428 0.6729 0.3571 0.5672 0.3933 0.3239 0.6170 0.3060 0.4516 0.5149 0.7180 0.5683 0.1907 0.1134 0.0255 0.3805 0.2107 0.0345 0.0311 0.5328 0.6822 0.7486 0.7458 0.7480 0.0610 0.3424 0.0228 0.6881 0.7482 0.6306 0.7499 0.0807 0.5142 0.6227 0.3577 0.2696 0.7015 0.4076 0.4988 0.7448 0.2037 0.7079 0.2146 0.7441 0.2638 0.8535 0.8570 0.8569 0.8556 0.8447 0.8469 0.8424 0.8137 0.8545 0.8386 0.8431 0.8571 0.8505 0.8387 0.3729 0.8359 0.4963 0.4949 0.8416 0.4649 0.5833 0.7892 0.6531 0.8467 0.7521 0.6918 0.4625 0.8368 0.2093 0.8490 0.8131 0.8570 0.8569 0.7021 0.8334 0.6817 0.8503 0.8334 0.8035 0.5172 0.4798 0.1475 0.8485 0.7182 0.6179 0.4283 0.7376 0.3357 0.4331 0.3687 0.6134 0.7258 0.3059 0.3574 0.6363 0.4207 0.1081 0.2009 0.8549 0.5455 0.4700 0.2660 0.8503 0.4615 0.5088 0.1091 0.3551 0.8554 0.4549 0.4906 0.3854 0.7193 0.8571 0.7900 0.7205 0.6934 0.6481 0.7279 0.4696 0.7908 0.4741 0.8571 0.8227 0.7390 0.8331 0.8213 0.8570 0.3463 0.4968 0.7596 0.4262 0.6054 0.6653 0.4108 0.8571 0.3041 0.8461 0.3794 0.1200 0.8162 0.5860 0.4156 0.4467 0.4774 0.5355 0.8513 0.8017 0.8524 0.4282 0.4272 0.5322 0.8554 0.8532 0.4172 0.4947 0.7152 0.8008 0.8153 0.8564 0.8044 0.7785 0.8530 0.8402 0.8571 0.8358 0.8571 0.8542 0.8281 0.7909 0.8512 0.7504 0.6244 0.8524 0.8045 0.5263 0.7238 0.5646 0.4893 0.7632 0.4686 0.6222 0.6798 0.8359 0.7247 0.3203 0.2037 0.0498 0.5513 0.3481 0.0667 0.0604 0.6952 0.8111 0.8562 0.8544 0.8559 0.1150 0.5101 0.0446 0.8152 0.8560 0.7734 0.8571 0.1494 0.6792 0.7675 0.5269 0.4247 0.8246 0.5792 0.6656 0.8537 0.3385 0.8289 0.3534 0.8533 0.4174 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 6 6 8 7 6 6 6 7 1 6 6 6 7 6 6 6 6 6 6 16 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 1 1 1 1 1 1 1 12.00000 12.00000 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 14.00307 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 9102.7756 22865.2670 30153.5469 0.99975 0.02215 0.00107 -0.02215 0.99975 0.00099 -0.00105 -0.00101 1.00000 1 0.00952 0.00379 0.00287 0.19826 0.07893 0.05985 15.33 18.25 23.46 41.37 50.68 65.29 89.82 100.89 143.02 150.33 152.20 180.59 186.66 201.02 210.84 222.89 224.60 241.22 265.95 285.88 307.88 321.00 333.25 375.79 381.09 415.14 436.88 451.15 471.85 486.80 522.16 536.31 551.37 583.11 607.81 666.43 679.51 686.70 709.29 710.24 756.04 772.64 777.89 824.40 856.28 862.92 865.50 889.31 923.98 934.86 990.81 1042.61 1063.80 1119.65 1130.58 1155.85 1162.89 1181.44 1213.96 1239.82 1268.24 1323.83 1334.40 1366.60 1384.83 1435.32 1446.18 1471.95 1474.15 1513.99 1529.53 1539.67 1543.09 1545.47 1572.10 1593.56 1604.96 1617.72 1642.49 1663.88 1664.20 1675.24 1684.67 1688.41 1690.21 1701.62 1728.23 1783.76 1784.34 1788.98 1822.30 1849.42 1865.16 1872.76 1916.68 1945.92 1950.56 1962.82 1969.20 1972.61 2010.32 2021.37 2054.97 2071.56 2074.23 2092.08 2118.45 2146.57 2214.75 2219.65 2229.54 2250.02 2250.75 2259.84 2267.74 2268.18 2274.24 2276.17 2277.99 2291.20 2320.97 2325.40 2333.56 2337.79 2340.12 2344.43 2348.97 2356.43 2356.88 2359.00 2359.55 2359.96 2363.26 2365.25 2381.76 2385.22 2389.08 2395.25 2418.42 2458.59 2559.78 2562.33 2589.80 2624.85 2872.09 4576.81 4610.04 4610.76 4612.40 4615.67 4618.78 4661.64 4683.86 4685.20 4686.03 4689.92 4693.65 4704.49 4712.15 4727.85 4731.48 4732.52 4743.93 4744.06 4779.43 4808.71 4814.00 4821.26 4835.67 4840.44 4841.15 4845.69 4848.68 4849.67 4863.16 4877.27 5318.30 0.562776 0.591378 0.592322 0.499049 -1562.461475 -1562.432873 -1562.431929 -1562.525202 3.128392D-04 MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE Cc1ccc(cc1C)CC(=O)N(CCC[NH+](C)C)c2nc3c(ccc(c3s2)C)C C10699224 RHF 6-31G(d) (6D,10F) C1 410.226610 |X|Y|Z| 68.758511 26.283595 110.892207 58.519969 18 6 7 16 15 2 1 |36.858105| |12.608425|36.858105| |7.585473|13.757023|36.858105| |5.015566|7.878466|13.735453|36.858105| |4.416536|6.797306|7.943499|13.796406|36.858105| |5.016459|7.928640|6.947409|7.996074|13.707040|36.858105| |7.509098|13.578383|7.941186|6.842434|7.852971|13.762227|36.858105| |6.440279|7.512419|5.020315|4.435321|5.010061|7.594950|12.606023|36.858105| |3.270843|4.416451|5.027412|7.575914|12.608336|7.557236|5.004681|3.790906|36.858105| |2.892525|3.722204|4.097003|5.525219|7.513227|5.788537|4.192233|3.383940|12.488625|36.858105| |3.045374|3.896376|4.157060|5.266900|6.823310|5.870256|4.425848|3.613519|7.989805|16.024244|73.516695| |2.393263|2.939081|3.215859|4.106113|5.002293|4.132446|3.224632|2.738904|7.630631|13.651289|15.102109|53.358707| |2.187740|2.645812|2.909836|3.676160|4.323336|3.586127|2.861634|2.459839|6.546095|7.574403|9.443693|17.809491|36.858105| |2.048108|2.433473|2.744917|3.425783|3.707658|3.036537|2.529057|2.171605|5.063010|5.475470|7.556865|10.392576|12.334677|36.858105| |1.771771|2.054721|2.268975|2.716256|2.909408|2.497607|2.135035|1.883884|3.721771|3.928223|5.787775|7.015318|7.601913|12.514572|36.858105| |1.648673|1.882130|2.092302|2.455177|2.532348|2.185313|1.915936|1.697178|3.072224|3.169829|4.859778|5.240384|4.912752|7.512306|12.613700|53.358707| |1.708908|1.953838|2.195994|2.586586|2.626070|2.240562|1.970118|1.731807|3.161299|3.143295|4.794406|5.009913|4.668533|7.104861|9.298907|25.710473|0.500000| |1.615963|1.832084|2.043640|2.374743|2.407981|2.082435|1.846596|1.636950|2.850198|3.042964|4.809961|4.974229|4.237980|6.217357|7.587829|17.340157|0.260014|36.858105| |1.475407|1.661318|1.817524|2.086691|2.158135|1.910808|1.696582|1.528425|2.554804|2.611997|4.090310|4.212976|3.832939|4.954968|7.698161|17.357820|0.260197|7.739838|36.858105| |2.141417|2.549779|2.738606|3.315041|3.835541|3.371179|2.767922|2.432610|5.008490|7.820234|12.413372|18.573092|7.932491|6.094333|4.713236|4.964563|0.093367|3.656881|3.000228|36.858105| |1.882627|2.195515|2.353197|2.788169|3.127906|2.788368|2.352045|2.104014|3.963509|5.305541|8.462890|11.213119|7.198629|6.262010|5.461619|5.623079|0.100837|4.184865|3.425853|14.903874|53.358707| |1.734034|1.984497|2.099433|2.415859|2.659486|2.439937|2.114429|1.928741|3.178330|4.109579|7.116868|7.361025|4.724310|4.392813|4.114927|4.651621|0.083853|3.622804|2.977445|8.644583|18.658844|36.858105| |1.539707|1.735428|1.829031|2.071032|2.242688|2.078445|1.833680|1.693141|2.623252|3.191417|5.503613|5.439975|3.808974|3.735058|3.808895|4.508670|0.079912|3.561480|3.023642|5.386209|10.498527|13.603087|36.858105| |1.446392|1.609995|1.681942|1.871415|2.007501|1.889839|1.695017|1.584195|2.280214|2.733135|4.861766|4.405002|3.028666|2.970244|2.996179|3.691821|0.066970|2.941682|2.529788|4.182424|7.051585|8.057772|13.826170|36.858105| |1.492475|1.655448|1.717161|1.894042|2.030701|1.932303|1.745298|1.640110|2.264733|2.747490|5.061364|4.275633|2.817774|2.713168|2.634175|3.253383|0.060314|2.585847|2.204155|4.079574|6.273171|6.928105|7.841437|13.623391|36.858105| |1.661818|1.860033|1.926864|2.136618|2.312216|2.201589|1.973750|1.844630|2.577906|3.242130|6.169808|4.989405|3.110645|2.916947|2.714800|3.291719|0.061709|2.596863|2.178887|4.981220|7.098064|7.800828|6.665742|7.848678|13.812447|36.858105| |1.812629|2.068473|2.165831|2.461296|2.710034|2.529769|2.211332|2.029688|3.132801|4.151430|7.770955|6.794564|4.025353|3.668750|3.303997|3.856929|0.071797|3.014593|2.484143|7.828322|11.099147|13.749343|7.864870|6.984611|8.096814|13.640549|36.858105| |2.171588|2.545223|2.668600|3.097826|3.517110|3.255856|2.766003|2.483264|4.100975|6.105614|12.704023|9.310369|4.676786|3.992975|3.318018|3.803312|0.072863|2.898143|2.391377|10.881594|10.034121|7.405292|4.858292|4.270621|4.717446|6.737892|10.884077|388.023441| |1.695597|1.877607|1.920578|2.089403|2.245760|2.180077|1.990026|1.882709|2.420222|2.999128|5.944069|4.339287|2.680088|2.503912|2.301826|2.831960|0.054102|2.219827|1.883153|4.041246|5.329149|4.981944|4.363472|4.982678|7.523465|12.632990|7.512252|41.619437|36.858105| |1.456264|1.637537|1.733405|1.965526|2.116673|1.950512|1.722640|1.589465|2.494223|2.911948|4.861406|4.986492|3.809660|3.900253|4.387885|5.245049|0.089636|4.061917|3.669480|4.493315|8.710622|7.511942|12.637973|7.547002|4.987230|4.364049|5.000505|26.644149|3.243616|36.858105| |17.544423|8.820124|5.891178|4.291007|3.949271|4.579390|6.663229|6.506759|3.020459|2.644221|4.864512|3.026949|2.066860|1.929078|1.689107|2.140462|0.045317|1.529315|1.419513|1.989929|2.404475|1.627835|1.455790|1.368218|1.405606|1.553826|1.689809|14.211334|1.579393|1.386160|0.500000| |17.546245|8.824906|5.892818|4.291909|3.950716|4.579986|6.665290|6.509648|3.019391|2.775325|5.329462|3.140668|2.083284|1.943227|1.689112|2.137783|0.044886|1.550247|1.410208|2.101795|2.512672|1.719978|1.527297|1.445834|1.504765|1.682367|1.819145|15.515424|1.738711|1.433444|0.302694|0.500000| |17.589842|8.856945|7.321308|4.777057|3.970208|4.183640|5.552395|4.728433|3.031921|2.697866|5.006427|3.086958|2.091270|1.997191|1.732241|2.220816|0.047208|1.608765|1.459158|2.040358|2.462081|1.670246|1.491106|1.402757|1.444304|1.600107|1.739320|14.654699|1.629568|1.415213|0.302025|0.302065|0.500000| |7.060921|8.945467|17.709456|8.945570|5.658789|4.989924|5.644512|4.086239|4.103077|3.483315|6.269299|3.884638|2.626323|2.554622|2.139475|2.740109|0.059031|1.985143|1.754626|2.482802|2.956058|1.957290|1.724243|1.594517|1.626120|1.810172|2.013650|17.263611|1.807428|1.641399|0.153190|0.153179|0.226795|0.500000| |4.101785|5.628780|8.930420|17.688937|8.906261|5.657963|4.934084|3.546198|6.990863|5.326455|8.670848|5.700493|3.851934|3.788706|2.946082|3.680476|0.080319|2.630505|2.256973|3.375819|3.918955|2.474427|2.128890|1.911219|1.917621|2.148110|2.484632|21.845597|2.075492|2.036788|0.099618|0.099624|0.114071|0.216865|0.500000| |4.089307|5.644623|4.988656|5.674933|8.929702|17.693858|8.968138|7.098231|7.031630|5.820361|10.438792|5.806333|3.692803|3.010220|2.512193|2.946315|0.060981|2.047252|1.910089|3.502136|3.936109|2.530354|2.149878|1.951959|1.995613|2.277247|2.624300|24.035770|2.248515|2.013039|0.107807|0.107852|0.096113|0.108118|0.124291|0.500000| |6.503510|6.668069|4.583276|3.965587|4.289408|5.901950|8.827316|17.547834|3.344270|3.123491|6.106863|3.482292|2.274170|2.031207|1.769968|2.186167|0.045351|1.566338|1.449223|2.326822|2.746027|1.876787|1.651282|1.560135|1.630588|1.839909|2.000521|17.364463|1.906912|1.538649|0.173317|0.211708|0.133126|0.107710|0.090298|0.153991|0.500000| |6.517607|6.670533|4.582596|3.962873|4.283492|5.893002|8.819504|17.545071|3.342437|2.937386|5.429504|3.326462|2.251074|2.013733|1.768868|2.187869|0.045772|1.544009|1.458586|2.176109|2.604791|1.757796|1.561093|1.463138|1.505786|1.674525|1.831124|15.581038|1.701496|1.479795|0.212140|0.173892|0.133315|0.107740|0.090253|0.153614|0.302686|0.500000| |4.728054|5.552319|4.186037|3.985954|4.777103|7.330787|8.852088|17.588988|3.842432|3.490454|6.605339|3.873574|2.551578|2.206068|1.924277|2.333993|0.048292|1.644536|1.550619|2.532843|2.977510|2.004330|1.755839|1.640557|1.698090|1.912483|2.109544|18.375009|1.947177|1.645819|0.133189|0.133182|0.103936|0.096075|0.090638|0.228382|0.302176|0.301954|0.500000| |3.035740|3.978013|4.257200|5.744523|8.892981|7.047757|4.703320|3.762943|17.526800|8.960309|11.218510|9.265550|6.536337|4.730611|3.677674|4.058638|0.084718|2.695162|2.539354|4.628882|5.173487|3.054703|2.558391|2.221003|2.188049|2.461195|2.968067|26.692499|2.299913|2.466647|0.080149|0.078082|0.077353|0.098147|0.145686|0.208417|0.090377|0.093523|0.109983|0.500000| |3.038452|3.977892|4.771770|7.266078|8.921676|5.644950|4.199077|3.249719|17.561209|8.881765|10.831265|9.595062|7.018360|6.032130|4.215729|4.769862|0.102908|3.198974|2.835288|4.707315|5.320512|3.100714|2.600381|2.242945|2.195291|2.458122|2.975129|26.451854|2.280185|2.525385|0.078278|0.077078|0.080486|0.113430|0.219251|0.142761|0.080775|0.082091|0.089783|0.303869|0.500000| |1.988395|2.359933|2.535222|3.087614|3.607148|3.157423|2.571929|2.275411|5.033857|5.843986|8.036046|12.632782|17.652165|8.795768|7.621687|6.483818|0.120250|4.057950|3.936768|7.565418|10.886916|5.165052|4.244706|3.285010|2.981039|3.228951|4.180322|32.221874|2.721891|4.374499|0.052629|0.053045|0.052682|0.064014|0.088226|0.092581|0.058751|0.058142|0.066359|0.147860|0.142198|0.500000| |2.317050|2.836843|3.116386|3.995542|4.848396|3.973963|3.102503|2.640974|7.808270|7.272507|8.936408|12.479649|17.707129|8.786575|6.234713|5.942310|0.121156|3.673056|3.536677|5.798503|7.049332|3.771761|3.158825|2.604390|2.456053|2.696815|3.358545|28.053183|2.391961|3.183706|0.061320|0.060548|0.061161|0.077165|0.114698|0.114183|0.066572|0.067545|0.076304|0.242901|0.239083|0.305087|0.500000| |2.160323|2.581719|2.981368|3.786584|3.966377|3.151772|2.636398|2.228551|5.344219|5.178521|7.168229|8.475131|8.753292|17.514194|8.821228|9.421219|0.213448|5.664540|4.644656|4.829703|6.389334|3.560640|3.094908|2.557757|2.379727|2.558653|3.121206|24.682647|2.258899|3.207822|0.056512|0.056218|0.058955|0.077598|0.120724|0.084735|0.057539|0.057817|0.062135|0.135464|0.195357|0.176658|0.226269|0.500000| |2.038604|2.409407|2.729958|3.377263|3.576276|2.937856|2.478584|2.128715|4.679744|5.476768|7.928594|10.390620|8.887900|17.658861|8.877734|9.173724|0.171526|6.832597|4.511410|6.897107|9.723324|5.017296|4.146986|3.272297|3.001359|3.260506|4.175470|32.062496|2.764215|4.170611|0.052825|0.054169|0.055495|0.071163|0.104563|0.080161|0.056016|0.054500|0.059718|0.116470|0.149173|0.193548|0.178276|0.301916|0.500000| |1.682237|1.937501|2.110382|2.491747|2.692014|2.361060|2.027925|1.812294|3.393035|3.747621|5.668255|6.874134|6.865943|8.861015|17.640095|12.369952|0.181653|7.029688|7.004386|5.066660|8.901727|4.911971|4.690614|3.516950|2.984641|3.021436|3.710953|25.106466|2.490234|5.789756|0.044546|0.044953|0.045536|0.055209|0.073842|0.066762|0.047618|0.047106|0.051751|0.093712|0.102220|0.218879|0.149717|0.173470|0.216142|0.500000| |1.747918|2.023854|2.215427|2.637445|2.853589|2.479054|2.117483|1.880168|3.643011|3.671276|5.393382|6.293716|6.987359|8.806421|17.606647|12.445640|0.222959|5.602459|7.396814|4.094218|6.213659|3.550907|3.327275|2.683772|2.381385|2.448442|2.928615|21.170272|2.108556|3.830533|0.046705|0.046099|0.047302|0.057827|0.078493|0.069861|0.048698|0.049383|0.053609|0.104032|0.114148|0.204853|0.179940|0.208127|0.173571|0.300659|0.500000| |1.521299|1.705632|1.899423|2.172660|2.172657|1.896318|1.704859|1.519990|2.507415|2.626676|4.219686|4.143424|3.451203|4.707380|5.558620|12.315620|0.221444|17.651668|7.279845|3.038878|4.624958|3.056021|3.066835|2.625417|2.329568|2.316095|2.616228|17.866861|2.013215|3.480669|0.040109|0.040535|0.042319|0.051795|0.066837|0.051589|0.040520|0.040077|0.042248|0.066118|0.077819|0.092303|0.086125|0.126641|0.139309|0.144253|0.126686|0.500000| |1.746574|1.994709|2.256794|2.653235|2.656783|2.256919|1.995277|1.747203|3.148730|3.392777|5.353834|5.499271|4.524902|6.935808|6.865154|12.255119|0.226181|17.691011|5.621528|3.992710|5.975414|3.740509|3.515454|2.922897|2.634841|2.711090|3.187445|22.473405|2.336815|3.772601|0.045548|0.046467|0.048451|0.061016|0.083085|0.060943|0.046497|0.045553|0.048469|0.080522|0.099564|0.114420|0.107914|0.181294|0.237950|0.170477|0.141382|0.300104|0.500000| |1.553942|1.756216|1.935296|2.233312|2.295121|2.013318|1.785446|1.597198|2.714638|2.982914|4.779805|4.975312|4.139715|5.635579|7.021266|12.327734|0.181518|17.654378|6.931881|3.857200|6.356933|4.170665|4.277674|3.444994|2.929279|2.879420|3.341521|21.785364|2.400841|5.114991|0.040864|0.041709|0.042772|0.051959|0.067602|0.055535|0.042631|0.041710|0.044833|0.071855|0.082420|0.114895|0.097348|0.133605|0.177309|0.214675|0.144732|0.298873|0.299497|0.500000| |1.479095|1.666675|1.814816|2.082394|2.169588|1.930381|1.710451|1.545131|2.574463|2.574227|4.001517|4.107592|3.819496|4.695281|7.129268|12.290897|0.223950|5.618107|17.653982|2.856871|4.354453|2.758811|2.769239|2.334922|2.055569|2.045068|2.329516|16.201467|1.783726|3.309467|0.039764|0.039135|0.040512|0.048484|0.062142|0.053853|0.040463|0.041138|0.043679|0.072418|0.079368|0.110107|0.101509|0.125430|0.113322|0.173291|0.228850|0.146903|0.126069|0.142095|0.500000| |1.410912|1.575405|1.726708|1.961167|1.997414|1.773946|1.593663|1.438727|2.314405|2.348973|3.731292|3.691523|3.234968|4.113402|5.593728|12.288906|0.223864|7.159801|17.650273|2.641035|4.027593|2.641611|2.699434|2.317715|2.040214|2.009171|2.252719|15.432138|1.756856|3.205544|0.037724|0.037460|0.038994|0.046750|0.059163|0.048922|0.038036|0.038295|0.040326|0.063396|0.071322|0.090472|0.084145|0.111566|0.107943|0.143054|0.148519|0.224501|0.146623|0.171568|0.299333|0.500000| |1.418528|1.592652|1.726948|1.972057|2.057388|1.841949|1.636647|1.485800|2.431180|2.544066|4.027202|4.157584|3.708776|4.573338|7.010786|12.333627|0.181493|7.034532|17.647628|3.065023|4.930740|3.218077|3.389101|2.804399|2.384368|2.314816|2.627019|17.440284|1.972001|4.351723|0.037899|0.037897|0.038841|0.046169|0.058627|0.051552|0.039290|0.039273|0.042072|0.067375|0.073419|0.109889|0.093001|0.113513|0.119493|0.210325|0.181235|0.178715|0.142539|0.207366|0.299173|0.299105|0.500000| |1.338451|1.478361|1.541638|1.702411|1.813070|1.713576|1.549734|1.456467|2.041333|2.386749|4.221361|3.787815|2.675066|2.663301|2.756908|3.480132|0.063142|2.771914|2.449434|3.431713|5.665388|5.690595|8.974018|17.710127|8.929219|5.629892|5.009632|24.471525|4.083656|6.992437|0.035320|0.037140|0.036161|0.040816|0.048358|0.049074|0.039858|0.037614|0.041831|0.055563|0.056147|0.080632|0.064972|0.064578|0.080288|0.089500|0.069423|0.070055|0.075125|0.090391|0.062760|0.062953|0.076246|0.500000| |1.403796|1.541155|1.589906|1.732742|1.843468|1.769814|1.618287|1.534243|2.022595|2.404106|4.454465|3.647576|2.431764|2.356997|2.303935|2.896188|0.054156|2.299292|1.988854|3.334618|4.978220|4.981084|5.625352|8.917762|17.717706|8.970300|5.707265|27.435769|6.961809|4.087941|0.036807|0.039470|0.037811|0.042039|0.048606|0.050669|0.042602|0.039290|0.044042|0.054422|0.054498|0.070976|0.059962|0.058411|0.071665|0.071509|0.058530|0.058528|0.064840|0.071606|0.051724|0.051702|0.059571|0.217574|0.500000| |1.788616|1.980337|2.038739|2.211565|2.346588|2.260985|2.076602|1.946799|2.495616|3.102447|6.278749|4.385732|2.671862|2.531237|2.286069|2.838907|0.054663|2.248503|1.867078|4.014991|5.127565|4.566937|3.916192|4.274037|5.861356|8.845400|6.673961|42.522882|17.539639|3.000780|0.045888|0.051105|0.047955|0.053514|0.061220|0.063866|0.055117|0.048705|0.055345|0.064751|0.065463|0.073672|0.066408|0.064103|0.078633|0.067725|0.057845|0.056777|0.066767|0.066845|0.048974|0.048655|0.053792|0.099275|0.151373|0.500000| |1.759632|1.951383|1.969071|2.134312|2.327802|2.301530|2.098106|2.007283|2.493332|3.096292|6.243137|4.389944|2.683375|2.441016|2.232430|2.715730|0.052176|2.088938|1.810950|4.014080|5.122414|4.565234|3.920960|4.283404|5.875680|8.849248|6.665968|42.437133|17.540903|3.005882|0.045617|0.050382|0.046562|0.051033|0.058082|0.066813|0.056635|0.050079|0.058247|0.066415|0.064165|0.075947|0.067321|0.061440|0.073551|0.066657|0.057519|0.052614|0.060949|0.062136|0.048141|0.046773|0.052446|0.099552|0.151892|0.302037|0.500000| |1.559704|1.706317|1.739515|1.872148|1.993061|1.945093|1.797447|1.716363|2.127949|2.563276|4.998173|3.693790|2.350499|2.226908|2.085670|2.604877|0.049809|2.046316|1.756585|3.327091|4.505768|4.151222|3.915710|4.719529|7.215057|8.870584|5.559883|31.302793|17.599883|3.000908|0.040548|0.044497|0.041797|0.045813|0.051747|0.055607|0.048436|0.043444|0.049205|0.056565|0.056148|0.066634|0.058891|0.056263|0.067718|0.062656|0.053407|0.052174|0.059271|0.061571|0.046224|0.045849|0.051268|0.112955|0.220897|0.301722|0.301759|0.500000| 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