Version2.4 2021-05-29T14:05:53Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(o1)C)C(=O)c2cc(ccc2[O-])[N+](=O)[O-] C36596722 RHF 6-31G(d) (6D,7F) CCCCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(o1)C)C(=O)c2cc(ccc2[O-])[N+](=O)[O-] C01[X(C24H32N3O6)] 189 C1 559 CCCCC[C@@H](N(C(=O)c1cc(ccc1[O-])[N+](=O)[O-])Cc1ccc(o1)C)C(=O)NC(C)(C)C CCCCC[C@@H](N(C(=O)c1cc(ccc1[O-])[N+](=O)[O-])Cc1ccc(o1)C)C(=O)NC(C)(C)C CCCCC[C@@H](N(Cc1oc(C)cc1)C(=O)c2cc(ccc2[O-])[N+]([O-])=O)C(=O)NC(C)(C)C InChIKey=WHJQTCYETVMQDQ-HXUWFJFHSA-M InChI=1S/C24H33N3O6/c1-6-7-8-9-20(22(29)25-24(3,4)5)26(15-18-12-10-16(2)33-18)23(30)19-14-17(27(31)32)11-13-21(19)28/h10-14,20,28H,6-9,15H2,1-5H3,(H,25,29)/p-1/t20-/m1/s1 InChI=1/C24H33N3O6/c1-6-7-8-9-20(22(29)25-24(3,4)5)26(15-18-12-10-16(2)33-18)23(30)19-14-17(27(31)32)11-13-21(19)28/h10-14,20,28H,6-9,15H2,1-5H3,(H,25,29)/p-1/t20-/m1/s1/fC24H32N3O6/h28h,25H/q-1 CCCCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(o1)C)C(=O)c2cc(ccc2[O-])[N+](=O)[O-] C01[X(C24H32N3O6)] 189 C01 559 CCCCC[C@@H](N(C(=O)c1cc(ccc1[O-])[N+](=O)[O-])Cc1ccc(o1)C)C(=O)NC(C)(C)C CCCCC[C@@H](N(C(=O)[C]1[CH][C]([CH]=[CH][C]1[O])[N]([O])[O])CC1=[CH][CH]=C(O1)C)[C]([NH]C(C)(C)C)=O CCCCC[C@@H](N(Cc1oc(C)cc1)C(=O)[C]2[CH][C](C=C[C]2[O])N([O])[O])C(=O)NC(C)(C)C InChIKey=FMYARVPRQDWELQ-HXUWFJFHSA-N InChI=1S/C24H32N3O6/c1-6-7-8-9-20(22(29)25-24(3,4)5)26(15-18-12-10-16(2)33-18)23(30)19-14-17(27(31)32)11-13-21(19)28/h10-14,20H,6-9,15H2,1-5H3,(H,25,29)/t20-/m1/s1 InChI=1/C24H32N3O6/c1-6-7-8-9-20(22(29)25-24(3,4)5)26(15-18-12-10-16(2)33-18)23(30)19-14-17(27(31)32)11-13-21(19)28/h10-14,20H,6-9,15H2,1-5H3,(H,25,29)/t20-/m1/s1/f/h25H 3638.8828300214 -1539.9600679 1-A 16061.3139 123 436 559 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 17.9325 19.1538 27.8037 29.0932 33.6640 37.6002 50.5106 56.5001 61.1309 70.2191 76.9121 94.4748 108.1150 113.1801 130.1933 140.5274 146.0413 147.5921 150.3847 160.6412 176.4866 187.3168 196.8831 212.9235 224.9939 240.0455 259.1198 264.5896 282.8564 291.6585 294.8377 311.4608 315.7937 324.4628 354.3781 356.1665 373.9388 379.1543 389.9800 407.0947 423.2997 446.0493 456.4731 470.2825 492.4259 508.3593 519.0412 547.3511 554.0692 590.7908 591.3701 650.3825 662.7194 689.9234 693.4906 698.5212 707.1002 747.5197 780.1900 789.5967 803.7167 807.6492 822.3171 834.2589 851.5279 878.4684 882.6126 893.7401 896.2323 909.0994 928.8859 938.2055 942.9796 960.8673 968.5410 998.8402 1006.0459 1007.8915 1025.7819 1037.2479 1054.7364 1064.3010 1068.4811 1076.0140 1083.2989 1090.8291 1104.3802 1111.6410 1112.6770 1130.7983 1133.4436 1140.0673 1155.8879 1157.6695 1173.5591 1174.6485 1191.5793 1231.1277 1238.8628 1258.6683 1260.3165 1310.6265 1329.6260 1340.7375 1343.6014 1358.4392 1370.4523 1371.5614 1374.4022 1382.4930 1388.6586 1401.0926 1407.1033 1415.0227 1436.3921 1450.8767 1455.4016 1461.7161 1471.1146 1503.4619 1516.2062 1530.0447 1532.1230 1541.7257 1545.1011 1547.3815 1554.5991 1562.4536 1564.8219 1570.9133 1575.0720 1584.4095 1618.0989 1619.8104 1622.9397 1630.2723 1632.9890 1633.7473 1635.8101 1635.8789 1639.9111 1642.3096 1642.4039 1644.2818 1650.9081 1656.1498 1657.1614 1670.8243 1672.4933 1737.8486 1760.0111 1764.7588 1776.2898 1800.5538 1823.1295 1893.9600 1899.5714 3171.6583 3187.1624 3192.0971 3194.2413 3194.3664 3199.3154 3205.2375 3209.3542 3213.4087 3220.4789 3224.7470 3248.0122 3249.1990 3252.1096 3254.6137 3262.5076 3267.3495 3272.5364 3279.5895 3287.2971 3288.9563 3300.6666 3304.8270 3317.8005 3322.9195 3358.8540 3370.1441 3414.3876 3420.9033 3429.5162 3435.8705 3717.9446 5.5244 4.6193 3.9604 3.9547 4.7642 3.6531 3.8771 1.8710 5.6216 5.2488 7.6642 3.8744 5.2353 5.2571 3.5938 4.2867 7.5483 3.6863 1.2107 1.9882 4.1500 4.0783 4.2587 3.8946 3.9466 1.0633 4.2959 1.1693 3.7385 1.3280 2.6784 1.0724 4.5318 5.0995 2.9364 2.8669 3.7521 2.4837 7.9053 5.8386 3.0209 4.1515 2.8044 3.5155 3.0474 3.4411 3.6420 3.0327 4.0398 4.9861 6.9672 4.5950 4.3871 5.8191 3.3981 4.4358 5.4738 5.3183 1.1803 3.3614 1.8630 3.6618 1.9007 2.3030 1.3159 4.9729 3.9635 1.8907 1.4196 2.9905 5.0352 2.5276 1.6284 2.0305 2.3681 3.4620 1.7196 2.1776 1.9161 3.0682 1.1934 2.9247 1.5610 2.7222 1.8305 1.6873 2.5590 2.3717 1.2957 2.4580 1.9996 2.2749 2.0840 1.3746 1.4899 1.4706 2.1628 2.1427 1.6144 3.2945 1.9654 1.9338 2.4647 2.0572 1.9817 1.9514 2.5806 2.3505 2.1498 2.3869 2.4301 1.7044 2.2918 1.6250 1.6517 1.6922 1.0857 1.2272 1.4914 1.4465 2.1988 4.6192 3.2416 1.5811 1.5045 1.2932 1.2948 1.3315 1.6287 1.6443 1.5944 1.2506 1.0565 3.9721 1.0490 1.0610 1.0762 1.0883 1.0951 1.1013 1.0485 1.0786 1.0735 1.0428 1.0890 1.0557 1.0951 1.0744 5.4687 4.1843 2.3652 5.9190 8.1963 6.4359 6.2369 8.2622 11.6820 1.0611 1.0505 1.0531 1.0907 1.0433 1.0429 1.0765 1.0366 1.0423 1.0985 1.0714 1.1020 1.1006 1.1027 1.1001 1.0950 1.1024 1.0723 1.0977 1.0929 1.1035 1.0873 1.1026 1.0979 1.0975 1.0930 1.0905 1.0943 1.0950 1.0922 1.1017 1.0830 0.0010 0.0010 0.0018 0.0020 0.0032 0.0030 0.0058 0.0035 0.0124 0.0152 0.0267 0.0204 0.0361 0.0397 0.0359 0.0499 0.0949 0.0473 0.0161 0.0302 0.0762 0.0843 0.0973 0.1040 0.1177 0.0361 0.1699 0.0482 0.1762 0.0666 0.1372 0.0613 0.2663 0.3163 0.2173 0.2143 0.3091 0.2104 0.7084 0.5701 0.3189 0.4867 0.3443 0.4581 0.4354 0.5239 0.5781 0.5353 0.7307 1.0254 1.4356 1.1452 1.1352 1.6320 0.9629 1.2752 1.6125 1.7509 0.4233 1.2347 0.7091 1.4073 0.7572 0.9444 0.5622 2.2610 1.8192 0.8898 0.6718 1.4562 2.5597 1.3108 0.8531 1.1045 1.3088 2.0350 1.0254 1.3033 1.1879 1.9449 0.7822 1.9519 1.0500 1.8570 1.2656 1.1829 1.8389 1.7268 0.9451 1.8518 1.5136 1.7421 1.6405 1.0854 1.2089 1.1955 1.8093 1.9134 1.4598 3.0751 1.8393 1.9571 2.5673 2.1788 2.1078 2.1217 2.8556 2.6052 2.3926 2.6879 2.7609 1.9713 2.6735 1.9171 2.0078 2.0988 1.3549 1.5449 1.9016 1.9264 2.9781 6.3712 4.4834 2.2142 2.1162 1.8243 1.8437 1.9152 2.3498 2.3907 2.3305 1.8497 1.6298 6.1404 1.6279 1.6614 1.6908 1.7115 1.7265 1.7364 1.6614 1.7140 1.7061 1.6612 1.7487 1.7060 1.7718 1.7672 9.0129 7.4455 4.3167 10.8610 15.2368 12.2934 12.2140 17.4618 24.8358 6.2892 6.2873 6.3224 6.5565 6.2722 6.2894 6.5159 6.2907 6.3414 6.7127 6.5647 6.8496 6.8460 6.8712 6.8654 6.8670 6.9338 6.7660 6.9564 6.9585 7.0329 6.9791 7.0951 7.1205 7.1401 7.2650 7.2975 7.5166 7.5499 7.5688 7.6631 8.8200 0.7885 0.1857 0.0219 0.8108 0.1718 0.2062 0.6791 0.3500 1.2544 2.9300 2.4990 2.9230 0.4972 1.9631 7.3650 3.9986 4.6645 2.0324 0.0599 0.4683 0.6511 2.5116 3.3901 1.6260 2.8911 0.1245 8.9106 0.5685 10.9002 0.0286 1.7973 0.1538 0.5350 6.2368 4.4477 3.0369 5.6336 0.6994 13.0676 4.4437 2.9924 2.1790 0.0581 12.3642 0.2203 3.2517 7.9740 1.5409 31.3822 6.9288 10.9117 5.1081 12.6700 5.6921 1.7326 15.5302 47.8318 46.9092 5.7796 12.1395 21.3311 14.5985 12.4978 2.9878 46.5451 38.4156 54.8365 19.4753 34.2187 4.1655 4.2629 54.0010 22.3740 0.5757 3.0931 6.5507 0.8341 1.4215 2.7192 7.4382 0.4419 6.3684 6.3577 0.8554 6.1695 11.6032 4.7797 45.2369 0.0186 1.0139 17.4816 0.7311 3.6722 0.4359 2.3727 1.4903 15.3285 47.1463 406.3050 238.3172 8.1388 107.9371 2.0666 18.1027 69.0483 33.8779 15.4735 13.6443 15.7917 17.7685 41.2576 123.9669 52.7328 84.4595 24.7470 67.7762 0.2901 14.1672 63.1517 39.6006 23.2650 961.8869 895.6957 66.5289 11.8033 6.6839 31.2262 13.6563 76.3771 0.3247 73.5665 13.9001 2.1760 86.8801 0.4615 9.2571 1.8980 0.1309 5.2070 3.2541 0.4033 5.9903 24.1011 3.5718 1.4916 0.9426 5.2520 15.0220 1.5071 207.1590 146.1082 56.1923 643.5400 738.0261 13.7239 221.6933 373.6679 22.6162 66.6872 15.9728 4.0678 35.7413 20.8922 17.1395 27.9436 80.1785 11.9482 52.8291 70.4026 38.1701 80.5134 54.1456 51.8317 15.9751 24.1136 84.9674 34.5875 28.1433 31.4236 26.8581 5.0789 22.9410 5.4602 19.8517 9.1448 15.7995 0.2894 5.8833 524.9016 2.0168 0.8698 0.1617 0.3272 0.6654 1.4257 5.0157 0.6041 0.8959 2.0803 1.0719 0.2534 0.4145 0.9802 0.3639 1.3946 1.6231 0.4190 0.3154 0.2389 0.8220 1.8654 1.6204 2.1080 1.2757 0.0803 0.5349 0.0517 1.2723 0.3370 0.5678 0.0577 1.0359 2.5225 1.0854 1.4076 0.7920 0.2444 0.8527 0.6443 1.0111 2.2645 0.5312 1.3828 0.9001 1.4874 1.4308 0.5084 0.6058 1.2858 0.3815 1.1316 4.5131 4.0956 1.4704 2.8465 5.3652 1.6838 3.4860 8.4737 5.5983 7.8715 3.1987 8.2383 0.7959 4.0974 1.4580 1.6011 0.3735 9.0575 2.4922 7.2798 3.7347 10.1163 7.1841 29.2882 8.8456 11.1157 6.1978 10.6506 0.0891 0.8916 0.8651 3.3826 2.9376 3.1730 1.7013 2.4760 0.5037 5.4152 10.8630 12.4351 3.6898 5.4199 0.4893 6.2297 11.0268 30.9898 44.8289 71.7610 10.9396 10.2586 13.9620 4.8562 20.0774 12.9099 3.9676 6.6773 2.4471 2.7736 1.4153 15.4948 37.7489 4.0811 4.5268 8.0706 26.0446 6.3459 29.5619 16.4713 6.7293 453.1977 522.6251 35.3042 1.3916 1.0337 2.2139 2.0112 9.5594 1.4027 23.0971 1.4262 18.1987 1.1050 3.4152 44.3342 3.3701 25.2568 26.2799 14.9871 35.8232 12.9363 8.7607 19.1714 1.2435 0.7209 1.9285 1.8293 10.9759 62.0811 36.2084 58.9356 2.8262 29.0645 4.4934 1.1970 17.3820 46.4408 28.9430 101.5092 121.8226 5.0815 52.1462 74.6118 120.0130 313.8001 48.4160 12.5796 88.1306 36.0080 42.7790 73.7109 68.8174 54.6739 66.8633 95.8698 20.6818 75.3963 32.9606 50.7639 18.3342 56.6775 63.3045 95.5345 98.2018 68.9620 26.2180 103.2024 92.0971 0.7435 0.7183 0.6430 0.7481 0.6735 0.7472 0.7487 0.7131 0.7464 0.7370 0.7332 0.6722 0.6251 0.7485 0.7447 0.6055 0.7233 0.7470 0.6699 0.5542 0.6547 0.2274 0.7475 0.0860 0.6267 0.7299 0.7469 0.7495 0.5510 0.6699 0.6497 0.2944 0.2980 0.6368 0.7426 0.6660 0.1962 0.7073 0.7454 0.7500 0.1667 0.1730 0.1931 0.4289 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0.7449 0.8311 0.8518 0.6589 0.7991 0.8197 0.8455 0.8143 0.7357 0.7673 0.3129 0.5995 0.6775 0.8553 0.8560 0.3797 0.4082 0.4154 0.1047 0.5852 0.5446 0.1666 0.2791 0.0062 0.1424 0.6642 0.1543 0.8005 0.8289 0.7420 0.8427 0.5114 0.8493 0.2038 0.8357 0.8487 0.8387 0.2066 0.8395 0.8329 0.7855 0.5169 0.5593 0.4415 0.8354 0.5779 0.2466 0.3493 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 62 63 64 65 6 6 6 6 6 6 1 6 8 7 6 6 6 6 7 6 6 6 6 6 8 6 6 8 6 6 6 6 6 6 8 7 8 8 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 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 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 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 14160.6306 16377.5227 25676.2166 0.98654 -0.16349 0.00265 0.16344 0.98646 0.01367 -0.00485 -0.01305 0.99990 1 0.00612 0.00529 0.00337 0.12745 0.11020 0.07029 25.80 27.56 40.00 41.86 48.43 54.10 72.67 81.29 87.95 101.03 110.66 135.93 155.55 162.84 187.32 202.19 210.12 212.35 216.37 231.13 253.92 269.51 283.27 306.35 323.72 345.37 372.82 380.69 406.97 419.63 424.21 448.12 454.36 466.83 509.87 512.44 538.01 545.52 561.09 585.72 609.03 641.77 656.76 676.63 708.49 731.42 746.78 787.52 797.18 850.02 850.85 935.76 953.51 992.65 997.78 1005.02 1017.36 1075.51 1122.52 1136.05 1156.37 1162.03 1183.13 1200.31 1225.16 1263.92 1269.88 1285.89 1289.48 1307.99 1336.46 1349.87 1356.74 1382.47 1393.51 1437.11 1447.48 1450.13 1475.87 1492.37 1517.53 1531.29 1537.31 1548.14 1558.63 1569.46 1588.96 1599.40 1600.89 1626.97 1630.77 1640.30 1663.06 1665.63 1688.49 1690.06 1714.42 1771.32 1782.45 1810.94 1813.31 1885.70 1913.04 1929.02 1933.14 1954.49 1971.78 1973.37 1977.46 1989.10 1997.97 2015.86 2024.51 2035.90 2066.65 2087.49 2094.00 2103.08 2116.61 2163.15 2181.48 2201.39 2204.38 2218.20 2223.06 2226.34 2236.72 2248.02 2251.43 2260.19 2266.18 2279.61 2328.08 2330.55 2335.05 2345.60 2349.51 2350.60 2353.57 2353.66 2359.47 2362.92 2363.05 2365.75 2375.29 2382.83 2384.29 2403.94 2406.34 2500.38 2532.26 2539.09 2555.68 2590.60 2623.08 2724.99 2733.06 4563.31 4585.62 4592.72 4595.80 4595.98 4603.10 4611.62 4617.54 4623.38 4633.55 4639.69 4673.17 4674.87 4679.06 4682.66 4694.02 4700.99 4708.45 4718.60 4729.69 4732.07 4748.92 4754.91 4773.57 4780.94 4832.64 4848.89 4912.54 4921.92 4934.31 4943.45 5349.29 0.580410 0.612548 0.613493 0.513315 -1539.379658 -1539.347520 -1539.346575 -1539.446753 3.359987D-04 MUNgauss RevisionA2.1 retrievium 29-May-2021 DUDE CCCCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(o1)C)C(=O)c2cc(ccc2[O-])[N+](=O)[O-] C36596722 RHF 6-31G(d) (6D,10F) C1 458.229111 |X|Y|Z| 87.834913 82.667189 38.889828 65.606287 14 6 7 8 12 1 1 |36.858105| |12.461380|36.858105| |7.464254|12.453775|36.858105| |4.857927|7.456832|12.452315|36.858105| |3.740115|4.866692|7.496092|12.456638|36.858105| |2.959822|3.727623|4.863432|7.453262|12.423333|36.858105| |2.901934|3.686067|4.585784|7.013448|8.962753|17.631391|0.500000| |2.499794|2.971259|3.756117|4.879034|7.505315|12.353603|0.252791|36.858105| |2.499018|2.901195|3.705451|4.499144|6.838687|7.991559|0.188253|15.722954|73.516695| |2.164413|2.528070|3.046605|3.817850|5.117142|7.761771|0.183405|14.203586|15.023335|53.358707| |1.887672|2.144252|2.526128|2.996015|3.808725|4.935065|0.125519|7.649174|11.833266|17.648405|36.858105| |1.812859|2.045441|2.382129|2.786094|3.445432|4.284432|0.117719|6.214113|11.079510|10.493148|12.408536|36.858105| |1.703606|1.924193|2.205113|2.590567|3.113986|3.959630|0.103533|5.137085|7.839044|10.766169|12.434017|7.619382|36.858105| |1.855838|2.068458|2.453679|2.802820|3.583340|4.214978|0.103344|6.179186|11.007359|10.497406|12.407713|7.558132|7.614724|36.858105| |2.769945|3.468430|4.234127|6.147630|7.561579|13.089787|0.260406|7.653536|9.463250|9.429781|4.536956|3.736121|4.024775|3.877240|53.358707| |2.648801|3.198297|3.877518|5.025090|6.110762|7.609636|0.157168|6.109302|8.248913|8.124721|4.277171|3.366774|3.916477|3.971594|17.840562|36.858105| |2.997342|3.624777|4.327472|5.265894|5.612849|5.609674|0.125155|4.434951|6.627174|5.617666|3.239655|2.699035|3.004047|3.146058|10.409012|12.689147|36.858105| |3.103935|3.586037|4.277565|4.638837|4.900070|4.440940|0.101632|3.777585|6.008648|4.729888|2.873151|2.431738|2.647538|2.922795|7.050113|7.311361|14.205779|36.858105| |3.298298|3.739293|4.110706|4.201921|3.996284|3.595479|0.087075|3.036779|4.920307|3.838414|2.388225|2.082838|2.244050|2.398232|5.630426|5.125374|8.555659|13.199863|36.858105| |3.275694|3.876717|4.077113|4.411646|3.970349|3.724306|0.092493|3.030198|4.802056|3.869679|2.374526|2.083997|2.261493|2.311949|6.140635|5.305331|8.712005|8.562933|14.209833|36.858105| |3.084555|3.794623|4.194252|5.059145|4.716796|4.731654|0.114806|3.669530|5.569754|4.715030|2.782695|2.396757|2.648255|2.641546|8.749223|7.818891|14.134584|8.668372|8.664924|14.135719|73.516695| |3.163146|3.668517|3.546479|3.732896|3.236104|3.081650|0.080094|2.545884|4.086503|3.288257|2.058927|1.847137|1.989212|1.985327|4.938519|3.932541|5.332465|5.139197|7.312808|12.786578|14.038250|36.858105| |2.607686|3.271371|3.715094|5.216996|5.402143|7.818054|0.219468|5.423421|7.309799|7.291872|3.857403|3.347371|3.663530|3.221312|18.803124|7.667599|5.810073|4.153185|3.642546|4.228010|10.573616|3.666424|36.858105| |2.700163|3.444426|3.806126|5.415862|5.179169|7.003703|0.239515|4.880707|6.928775|6.267107|3.467319|3.197506|3.250383|2.892361|11.547305|5.358115|4.534925|3.500363|3.196030|3.695119|8.532150|3.371804|15.795699|73.516695| |2.263711|2.736683|2.987822|3.826939|3.906667|5.035141|0.137148|4.122757|5.827538|6.030433|3.460251|2.966063|3.554008|2.939241|10.487482|6.517183|5.247370|3.841776|3.478181|4.120760|10.130513|3.697844|12.754311|14.401423|36.858105| |2.233408|2.683805|2.802819|3.459590|3.317520|3.926709|0.109669|3.243528|4.813903|4.588231|2.772234|2.459794|2.849984|2.428527|7.259810|4.824866|4.500214|3.472213|3.364407|4.168412|9.662787|4.060583|7.757028|11.647298|13.898691|36.858105| |1.953475|2.278132|2.348839|2.775941|2.697650|3.107602|0.086134|2.712843|4.123064|3.916395|2.473121|2.204624|2.620780|2.199493|5.415746|3.862599|3.682648|3.004009|2.965956|3.578612|7.669348|3.611213|5.075929|7.984465|7.920374|13.675694|36.858105| |1.765719|2.028030|2.125063|2.486909|2.506463|2.925383|0.080007|2.672297|4.061011|4.001708|2.591028|2.277032|2.857092|2.300645|5.037092|3.724157|3.407982|2.828607|2.718167|3.133653|6.631813|3.051256|4.446964|6.829447|6.817741|7.868884|13.518620|36.858105| |1.775568|2.044498|2.194735|2.603884|2.722261|3.293752|0.088770|3.092481|4.601527|4.837625|3.118296|2.657614|3.563163|2.711713|5.786422|4.320950|3.671792|2.997430|2.760283|3.094542|6.729856|2.874516|4.976317|7.267154|7.799184|6.850419|7.941997|14.053044|36.858105| |1.981600|2.327137|2.561367|3.158012|3.392272|4.376515|0.116323|4.017778|5.693886|6.438749|3.853359|3.180796|4.284583|3.224613|8.367073|5.928248|4.520754|3.487195|3.084228|3.458084|7.984163|3.081388|7.474983|9.718906|13.180424|7.760443|6.707715|7.765923|13.191606|36.858105| |1.937654|2.259318|2.543908|3.132231|3.550766|4.761254|0.123216|4.771021|6.570347|8.508299|5.036498|3.885827|5.913466|4.015522|8.664694|6.220428|4.367337|3.446823|2.937779|3.155030|7.134323|2.749742|6.602383|8.819058|8.066401|5.301610|4.668676|5.324929|8.120111|15.357121|73.516695| |1.882767|2.166142|2.171680|2.492615|2.363358|2.620280|0.073198|2.298856|3.580905|3.251594|2.094591|1.904738|2.195082|1.895923|4.349171|3.121534|3.124879|2.660583|2.730534|3.304132|6.618467|3.564375|3.898242|6.524025|5.158750|7.828602|13.480941|7.785854|5.168437|4.479117|6.164926|53.358707| |2.025206|2.343324|2.295918|2.617812|2.407090|2.611183|0.073604|2.247528|3.529546|3.106273|1.989135|1.828529|2.041887|1.809302|4.261110|3.006506|3.099917|2.661924|2.799539|3.459454|6.765049|3.926307|3.819603|6.643522|4.675111|7.039618|8.426051|5.387969|4.089784|3.845585|5.485131|21.484588|73.516695| |1.691067|1.911304|1.915694|2.159546|2.073750|2.281776|0.063502|2.053272|3.235347|2.928410|1.928244|1.760726|2.045615|1.760756|3.701648|2.705648|2.701787|2.362945|2.424836|2.847247|5.538621|3.060048|3.194231|5.360707|4.086685|5.413296|8.438638|7.036953|4.690634|3.850340|5.496084|21.463096|16.017793|73.516695| |17.531413|8.757841|5.447112|4.032667|3.166047|2.617905|0.072247|2.231492|3.939670|2.676698|1.729586|1.668232|1.580032|1.692585|3.399684|2.388134|2.690008|2.761046|2.992300|3.035466|5.034137|3.057473|2.409129|4.468237|2.129273|2.138187|1.889690|1.700233|1.691479|1.864679|3.214529|2.515998|3.567703|2.962130|0.500000| |17.525246|8.770390|6.762125|4.489738|3.629041|2.863136|0.078517|2.472825|4.490539|2.894705|1.873149|1.821245|1.676852|1.849827|3.551888|2.478083|2.725826|2.815757|2.898533|2.843395|4.868700|2.712410|2.440553|4.515046|2.111449|2.060500|1.811007|1.654384|1.675992|1.872048|3.291254|2.365681|3.294801|2.792539|0.301496|0.500000| |17.528344|8.773647|6.765949|4.492598|3.627083|2.865823|0.076231|2.451281|4.356873|2.906454|1.870127|1.776201|1.691456|1.863470|3.704809|2.686011|3.116233|3.355442|3.639801|3.478175|5.635996|3.305993|2.523064|4.534817|2.220259|2.184707|1.926157|1.752516|1.765151|1.961968|3.418488|2.524560|3.524058|2.975249|0.301508|0.301716|0.500000| |8.860310|17.509781|8.855374|6.856132|4.538704|3.640133|0.104509|2.906464|5.048330|3.377875|2.111269|2.047215|1.898541|2.006711|4.548840|2.978033|3.241617|3.110470|3.190906|3.385564|6.079588|3.286230|3.255363|6.341372|2.703631|2.667720|2.259079|2.002535|2.012734|2.288894|3.941788|2.935472|4.171676|3.378518|0.212523|0.210543|0.172940|0.500000| |8.861785|17.515461|8.865718|6.865388|4.535261|3.645552|0.099322|2.872049|4.862433|3.396496|2.107052|1.984391|1.919660|2.024169|4.880812|3.357367|3.958785|3.882678|4.263542|4.634484|7.798860|4.538162|3.456933|6.394397|2.941533|2.951949|2.492766|2.182305|2.171254|2.457667|4.163890|3.253257|4.663243|3.714075|0.212489|0.172924|0.210716|0.304120|0.500000| |6.873306|8.868837|17.495876|8.859101|6.884327|4.544821|0.113267|3.640343|6.392290|4.075659|2.503147|2.316103|2.192450|2.490288|5.604993|4.045448|4.773230|5.089965|4.880796|4.520989|7.927417|3.762542|3.511321|6.123056|2.907631|2.720471|2.309590|2.109547|2.184575|2.533663|4.491901|2.904616|3.979002|3.367208|0.140401|0.169017|0.203967|0.173793|0.212199|0.500000| |6.873084|8.860338|17.481497|8.838978|6.904095|4.535365|0.121155|3.713134|6.839918|4.044651|2.511033|2.418692|2.161458|2.459134|5.116519|3.426558|3.644362|3.635977|3.425094|3.338427|6.136091|2.950671|3.299065|6.072993|2.675913|2.491665|2.118885|1.945007|2.022601|2.349102|4.215775|2.670134|3.657879|3.109481|0.140355|0.203855|0.169193|0.211569|0.173799|0.303540|0.500000| |4.527817|6.852756|8.845311|17.514442|8.867367|6.836621|0.211370|4.612936|7.613676|4.992324|2.910369|2.792507|2.531057|2.656305|7.525120|4.286126|4.264697|3.727767|3.466062|3.727566|7.581387|3.334492|5.165084|10.578992|3.744230|3.430259|2.744736|2.442814|2.541917|3.068385|5.380801|3.376296|4.666212|3.814415|0.108407|0.119369|0.111148|0.206684|0.171225|0.173611|0.210843|0.500000| |4.533039|6.859322|8.866911|17.569066|8.827405|6.854645|0.175839|4.474179|7.014692|5.047100|2.897195|2.637740|2.579520|2.695836|9.363012|5.717565|6.481839|5.339683|4.988917|5.637371|12.083303|4.657270|6.082331|10.789092|4.454051|4.097085|3.192075|2.788013|2.881110|3.508196|5.980523|3.880659|5.377437|4.312186|0.108494|0.111209|0.119615|0.171070|0.207120|0.212065|0.173675|0.305030|0.500000| |3.670194|4.548333|6.932610|8.838210|17.539157|8.809141|0.174605|6.679595|11.119191|6.612164|3.724135|3.254710|3.067939|3.699569|9.296413|6.704641|6.573789|6.164269|4.646208|4.327773|8.935605|3.369088|4.767268|7.685121|3.691920|3.153115|2.617131|2.462035|2.681309|3.297356|6.175519|3.128495|4.132612|3.614589|0.085798|0.098061|0.103326|0.112318|0.120386|0.209361|0.174068|0.173686|0.208829|0.500000| |3.640129|4.524692|6.825010|8.849886|17.604229|8.965340|0.214568|7.243452|14.074692|6.553231|3.773579|3.578918|3.006422|3.602694|7.605213|4.694546|4.307057|3.971872|3.341988|3.271560|6.620195|2.761685|4.350948|7.734349|3.294411|2.845807|2.373184|2.232236|2.421676|2.953742|5.575831|2.866985|3.810307|3.328325|0.085346|0.102497|0.096878|0.120617|0.111813|0.169258|0.206108|0.213432|0.173566|0.305088|0.500000| |2.136607|2.513986|2.973053|3.775162|4.792967|7.436894|0.179453|9.409105|10.815062|25.803951|8.986782|5.957182|7.843977|5.992629|11.193436|6.934362|4.494852|3.621141|2.952837|3.047216|6.799006|2.589160|6.584554|9.332172|5.599912|3.994698|3.362290|3.476923|4.371380|6.295056|16.429779|3.684228|4.530884|4.295282|0.054324|0.057616|0.058581|0.068570|0.070200|0.081237|0.078745|0.100864|0.106109|0.126728|0.119393|0.500000| |1.799776|2.046376|2.351712|2.786671|3.350774|4.271305|0.123803|5.721765|9.588519|9.583008|8.802619|17.547071|6.976082|5.496320|5.144003|3.277836|2.632914|2.337254|2.030193|2.065292|4.248306|1.851943|3.542774|6.163998|3.133144|2.596063|2.317865|2.387089|2.783844|3.344496|7.186720|2.716653|3.403866|3.270050|0.046283|0.050076|0.048590|0.057557|0.055349|0.062670|0.065949|0.079300|0.073760|0.085782|0.095598|0.165269|0.500000| |1.652548|1.838200|2.111556|2.411899|2.905588|3.458161|0.094793|4.662056|8.517127|7.604982|8.800900|17.520947|6.974737|6.894931|4.243863|2.903058|2.388811|2.188976|1.895286|1.887168|3.801922|1.686719|2.845350|4.842416|2.602103|2.202620|2.013582|2.100721|2.436534|2.824370|6.047724|2.392370|2.991168|2.920933|0.042485|0.046218|0.045147|0.051045|0.049627|0.057435|0.059689|0.067000|0.063858|0.077647|0.083824|0.129781|0.300844|0.500000| |1.920308|2.162947|2.552717|2.962920|3.735778|4.479703|0.123419|6.669666|13.807347|9.400614|8.765698|17.628949|5.516235|6.873088|5.006801|3.286480|2.688349|2.453029|2.100910|2.086164|4.229289|1.845376|3.235096|5.593696|2.791920|2.344923|2.084658|2.116512|2.424128|2.893493|6.087313|2.477388|3.142481|2.981178|0.048755|0.054111|0.052098|0.060216|0.057501|0.068551|0.073338|0.082698|0.076030|0.096984|0.112500|0.144937|0.300808|0.300419|0.500000| |1.714806|1.936141|2.215164|2.596799|3.101475|3.903904|0.099200|4.819776|7.209695|9.761877|8.763110|5.510550|17.595097|6.912369|5.723952|4.355188|3.287165|2.881070|2.416167|2.428496|5.088554|2.114983|3.786979|5.766435|3.823484|3.033827|2.818838|3.139053|4.030701|4.841684|12.498440|3.174958|3.815036|3.871896|0.044195|0.046531|0.047642|0.052580|0.054185|0.061934|0.059574|0.069367|0.073111|0.086852|0.081251|0.219277|0.142006|0.141607|0.122858|0.500000| |1.568952|1.749070|1.986019|2.282288|2.699786|3.281657|0.086871|4.154633|6.758495|7.716816|8.834579|6.969903|17.537239|6.976581|4.467765|3.239382|2.596434|2.346219|2.016955|2.018086|4.113817|1.794257|3.032515|4.898238|2.973549|2.470245|2.316465|2.531326|3.079546|3.516810|8.061102|2.692898|3.279175|3.320259|0.040581|0.043108|0.043342|0.047995|0.048316|0.054986|0.054523|0.062145|0.062804|0.074361|0.073637|0.151103|0.172138|0.210530|0.141923|0.299912|0.500000| |1.690170|1.921718|2.176693|2.585215|3.035471|3.936176|0.107196|4.827281|7.224541|9.741129|8.771103|6.944849|17.579252|5.509733|5.540253|3.775252|2.911735|2.525444|2.177565|2.236578|4.688372|1.994409|3.917578|6.270230|3.852164|3.068252|2.819449|3.089348|3.896117|4.720175|11.616222|3.184082|3.847601|3.864634|0.043780|0.046102|0.046274|0.053189|0.053450|0.059382|0.059028|0.071411|0.071977|0.081137|0.080971|0.216744|0.209531|0.172188|0.141419|0.303599|0.300277|0.500000| |1.975150|2.193667|2.647720|2.988699|3.927175|4.409129|0.106987|6.646597|13.703128|9.429562|8.770770|6.862622|5.515564|17.624271|5.206579|3.869541|3.150285|2.983567|2.440484|2.325527|4.674779|1.989798|3.123372|5.070148|2.773025|2.320042|2.082494|2.138123|2.468760|2.931256|6.256748|2.469079|3.113882|2.983862|0.049615|0.055167|0.055120|0.058919|0.058867|0.074791|0.074946|0.078165|0.078021|0.113552|0.113709|0.145939|0.140310|0.169312|0.204375|0.141128|0.141891|0.122913|0.500000| |1.686013|1.855683|2.162583|2.423656|2.989590|3.421491|0.086707|4.649778|8.497204|7.603779|8.794206|6.906009|6.950039|17.521523|4.353712|3.268977|2.686268|2.532167|2.127099|2.053536|4.104719|1.791089|2.764284|4.487999|2.581635|2.178269|2.008021|2.117376|2.475639|2.852026|6.193805|2.381171|2.962448|2.918868|0.043025|0.046852|0.047027|0.050232|0.050449|0.060876|0.060521|0.064504|0.064940|0.085225|0.084296|0.130130|0.141038|0.207124|0.170201|0.170707|0.210016|0.141453|0.300440|0.500000| |1.870795|2.083150|2.468475|2.810136|3.566858|4.145836|0.098896|5.657570|9.479116|9.565067|8.799306|5.495475|6.984543|17.540661|5.487327|4.429950|3.476188|3.250704|2.613192|2.490339|5.069261|2.108724|3.295807|5.120797|3.077296|2.532647|2.306740|2.433730|2.892680|3.431601|7.647412|2.692164|3.336093|3.269308|0.047393|0.051342|0.052672|0.055535|0.057221|0.070761|0.067672|0.072651|0.076505|0.105871|0.096376|0.166693|0.123088|0.141049|0.140267|0.208763|0.172878|0.141918|0.300575|0.300942|0.500000| |2.566894|3.027633|3.763242|4.673668|6.246022|7.431220|0.147773|7.068484|9.657983|9.239655|4.884822|3.688260|4.242167|4.813883|12.523048|17.608841|9.076355|6.941432|4.655670|4.446449|10.234345|3.368289|5.726832|7.851045|4.919588|3.819490|3.208864|3.181899|3.711682|4.850209|9.798796|3.629015|4.568469|4.208392|0.063755|0.067811|0.072890|0.077983|0.085938|0.111162|0.095376|0.110303|0.136884|0.206617|0.138897|0.199295|0.096035|0.088080|0.100990|0.131438|0.097519|0.108248|0.132074|0.105963|0.155074|0.500000| |2.332082|2.756361|3.203820|3.983536|4.592668|5.745494|0.130565|5.113997|7.058696|7.615689|4.229423|3.274145|4.173256|3.874306|12.483620|17.697851|8.979175|5.950429|4.530890|4.799082|12.118982|3.727563|7.119004|8.751057|7.469004|5.289190|4.381567|4.434624|5.444527|7.776309|14.446331|4.636276|5.630132|5.279636|0.059408|0.060755|0.065670|0.072261|0.080899|0.092156|0.079928|0.098854|0.125054|0.135484|0.104580|0.194327|0.089332|0.079700|0.086125|0.135466|0.095136|0.112664|0.100535|0.090311|0.122556|0.306654|0.500000| |2.933778|3.284360|3.995767|4.188939|4.707867|4.203378|0.095484|3.810011|6.244935|4.753215|2.955477|2.485262|2.683179|3.126728|6.251139|6.336102|8.835458|17.785984|8.426075|5.837179|10.478961|4.030265|3.630859|5.532884|3.347724|2.991564|2.639681|2.546451|2.737806|3.162638|5.755582|3.196007|4.144333|3.768698|0.072052|0.075625|0.088852|0.079551|0.095267|0.133990|0.098295|0.094655|0.125086|0.172439|0.110362|0.098200|0.065185|0.062520|0.070113|0.081107|0.066641|0.069713|0.089933|0.075060|0.098059|0.193312|0.146468|0.500000| |3.269261|3.518017|3.746745|3.619572|3.429484|3.052513|0.075284|2.654600|4.404602|3.363840|2.143533|1.893938|2.018878|2.179916|4.596225|4.023762|5.833743|8.424391|17.785243|8.834249|10.475719|6.314327|3.029506|4.852467|2.916086|2.862849|2.591004|2.397710|2.415540|2.639315|4.504727|3.323111|4.469121|3.923250|0.083188|0.079731|0.103282|0.082962|0.110280|0.124977|0.088678|0.084694|0.114339|0.109776|0.082593|0.070977|0.051146|0.048350|0.053272|0.060040|0.051067|0.054294|0.061932|0.054392|0.065679|0.105773|0.101473|0.192599|0.500000| |2.705173|3.107236|3.035695|3.273398|2.924028|2.895565|0.075959|2.430962|3.872058|3.212489|2.025711|1.812654|1.993391|1.938905|4.739929|3.778961|4.841575|4.476471|5.771836|8.933841|12.544186|17.559947|3.643093|5.897463|3.904044|4.503664|4.178040|3.457594|3.148554|3.269814|5.054808|5.775283|8.325353|6.423438|0.073279|0.065830|0.077487|0.079653|0.103160|0.087894|0.071912|0.083298|0.111232|0.083690|0.069948|0.071220|0.050748|0.046160|0.049797|0.059247|0.049975|0.055892|0.053347|0.048839|0.057345|0.089107|0.104072|0.100064|0.140292|0.500000| |3.509630|4.210328|3.872464|4.088150|3.360222|3.170507|0.084296|2.565698|4.127661|3.272170|2.037863|1.853008|1.955129|1.942996|4.985800|3.740889|4.822327|4.484943|5.808701|8.927696|12.393658|17.550890|3.807075|6.476344|3.712769|4.149778|3.580416|2.954329|2.772892|3.006905|4.763192|4.869420|7.294629|5.370426|0.095507|0.082149|0.099121|0.105901|0.152172|0.110042|0.088113|0.103434|0.144741|0.094195|0.079748|0.071285|0.052004|0.046818|0.051685|0.057039|0.048950|0.054899|0.054359|0.048693|0.056596|0.088988|0.096849|0.100345|0.141750|0.302406|0.500000| |3.137292|3.465374|3.286732|3.294441|2.887725|2.701946|0.070348|2.288726|3.740444|2.953650|1.881569|1.699520|1.816362|1.838750|4.183952|3.347140|4.421739|4.610689|6.822944|8.978071|10.209611|17.582123|3.053019|5.064756|3.064817|3.310833|3.043706|2.648498|2.506520|2.646509|4.280526|4.164609|5.941935|4.825379|0.085381|0.074457|0.093279|0.085388|0.117640|0.098570|0.077140|0.082057|0.109196|0.084436|0.069970|0.063776|0.047095|0.043441|0.047341|0.053510|0.045968|0.050297|0.051423|0.046433|0.054228|0.082615|0.088415|0.104814|0.189107|0.300114|0.300404|0.500000| |2.440094|2.983109|3.033654|3.752928|3.409002|3.884232|0.110741|3.109645|4.691594|4.234405|2.560127|2.317266|2.565069|2.266124|6.870303|4.430390|4.383609|3.440214|3.444300|4.397508|9.928308|4.496065|7.239975|12.358301|9.001932|17.776436|8.926181|5.619093|4.945428|5.564939|7.576827|9.795024|14.029069|8.803252|0.065342|0.061862|0.065618|0.083154|0.092901|0.080549|0.073891|0.104985|0.126616|0.088688|0.081009|0.099173|0.067882|0.057611|0.062378|0.074601|0.062396|0.076072|0.061126|0.056542|0.065068|0.098692|0.126126|0.081546|0.081685|0.136559|0.135063|0.099922|0.500000| |1.623265|1.838255|1.908954|2.189069|2.200494|2.514799|0.068885|2.337459|3.618574|3.485275|2.316785|2.060132|2.569456|2.088259|4.179246|3.127619|2.930318|2.514737|2.450739|2.782224|5.659186|2.760725|3.557040|5.642246|4.927048|5.626796|8.882881|17.760756|9.007214|5.557609|7.599119|9.768359|8.786282|14.064382|0.043680|0.042354|0.044870|0.050439|0.054809|0.052823|0.048857|0.059815|0.067422|0.060397|0.055135|0.082223|0.059760|0.053514|0.053265|0.078121|0.064568|0.076626|0.053958|0.054107|0.061303|0.076330|0.101402|0.063651|0.061145|0.087305|0.073900|0.067991|0.124030|0.500000| 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