Version2.2 2021-02-06T08:27:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 05-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](c1ccccc1)[C@@H](C(=O)NC(C)(C)C)N(C(=O)c2ccc(cc2)[N+](=O)[O-])C(C)(C)C C36593557 RHF 6-31G(d) (6D,7F) C[C@@H](c1ccccc1)[C@@H](C(=O)NC(C)(C)C)N(C(=O)c2ccc(cc2)[N+](=O)[O-])C(C)(C)C C01[X(C25H33N3O4)] 189 C1 546 C[C@H]([C@H](N(C(C)(C)C)C(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)NC(C)(C)C)c1ccccc1 C[C@H]([C@H](N(C(C)(C)C)C(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)NC(C)(C)C)c1ccccc1 C[C@H]([C@H](N(C(=O)c1ccc(cc1)[N+]([O-])=O)C(C)(C)C)C(=O)NC(C)(C)C)c2ccccc2 InChIKey=SNUSXYAUGKTMOH-UWJYYQICSA-N InChI=1S/C25H33N3O4/c1-17(18-11-9-8-10-12-18)21(22(29)26-24(2,3)4)27(25(5,6)7)23(30)19-13-15-20(16-14-19)28(31)32/h8-17,21H,1-7H3,(H,26,29)/t17-,21-/m0/s1 InChI=1/C25H33N3O4/c1-17(18-11-9-8-10-12-18)21(22(29)26-24(2,3)4)27(25(5,6)7)23(30)19-13-15-20(16-14-19)28(31)32/h8-17,21H,1-7H3,(H,26,29)/t17-,21-/m0/s1/f/h26H C[C@@H](c1ccccc1)[C@@H](C(=O)NC(C)(C)C)N(C(=O)c2ccc(cc2)[N+](=O)[O-])C(C)(C)C C01[X(C25H33N3O4)] 189 C01 546 C[C@H]([C@H](N(C(C)(C)C)C(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)NC(C)(C)C)c1ccccc1 C[C@@H]([C]1[CH][CH][CH][CH][CH]1)[C@H](N(C(C)(C)C)C(=O)[C]1[CH][CH][C]([CH][CH]1)[N]([O])[O])C(=O)NC(C)(C)C C[C@@H]([C]1[CH][CH][CH][CH][CH]1)[C@H](N(C(=O)[C]2[CH][CH][C]([CH][CH]2)N([O])[O])C(C)(C)C)C(=O)NC(C)(C)C InChIKey=SNUSXYAUGKTMOH-UWJYYQICSA-N InChI=1S/C25H33N3O4/c1-17(18-11-9-8-10-12-18)21(22(29)26-24(2,3)4)27(25(5,6)7)23(30)19-13-15-20(16-14-19)28(31)32/h8-17,21H,1-7H3,(H,26,29)/t17-,21-/m0/s1 InChI=1/C25H33N3O4/c1-17(18-11-9-8-10-12-18)21(22(29)26-24(2,3)4)27(25(5,6)7)23(30)19-13-15-20(16-14-19)28(31)32/h8-17,21H,1-7H3,(H,26,29)/t17-,21-/m0/s1/f/h26H 3480.9237846855 -1428.6119007 1-A 14135.2845 118 428 546 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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| 17.1242 24.8103 32.3196 39.7550 43.1370 48.8131 58.4716 66.0073 78.9303 91.1455 98.0534 114.5257 131.2242 137.6645 159.0485 177.5755 191.2872 197.7806 202.8746 229.7747 235.2389 247.3755 255.9251 270.9900 277.7280 294.2147 299.6758 311.7692 316.0092 317.8675 328.3905 341.5433 353.7785 361.4371 369.6567 383.3398 396.4051 420.1011 445.9428 452.6373 458.3203 459.4989 468.2946 473.5510 485.9248 504.6018 510.2084 534.2450 545.7487 567.6398 578.6875 598.8618 611.0326 628.7476 680.8898 688.3374 748.6607 755.6724 777.9691 785.4146 793.4435 819.9128 840.3160 847.9120 857.3099 872.1456 897.7154 901.5969 956.6882 959.0230 965.0781 977.4816 990.1615 1005.6566 1007.3797 1009.9194 1011.2745 1016.7496 1028.3315 1038.4837 1057.9476 1058.2347 1068.5756 1089.5768 1102.3002 1107.3430 1114.1319 1122.2420 1126.9279 1133.8734 1139.6492 1149.3750 1158.4285 1158.6522 1171.0073 1175.8598 1185.2984 1190.4796 1198.7412 1215.4721 1242.0496 1247.9023 1275.1627 1306.7184 1309.1021 1309.6877 1332.3232 1335.5531 1343.4246 1355.0799 1369.3653 1371.2087 1376.1513 1382.1433 1396.9436 1405.4144 1452.0346 1459.1178 1486.4838 1500.6093 1536.7078 1552.0005 1555.1074 1555.9932 1557.9572 1562.4664 1567.7571 1572.1600 1584.0746 1588.7309 1621.3693 1623.4617 1628.8911 1638.0171 1639.0095 1639.9109 1641.3981 1642.2627 1643.9260 1647.6096 1652.9164 1653.7539 1654.6713 1665.4873 1671.7673 1673.9497 1675.8448 1680.3263 1711.3511 1771.7255 1784.8374 1808.7938 1811.1073 1866.7437 1937.8714 1939.5951 3199.3504 3209.6423 3211.7126 3214.7552 3217.6155 3218.2894 3233.7653 3257.8022 3257.8493 3264.4264 3267.2121 3269.9475 3272.8190 3278.3471 3288.8555 3294.0432 3303.0742 3310.0491 3312.3660 3321.3399 3325.2723 3342.1929 3354.0496 3355.6763 3362.8458 3374.3047 3381.0691 3390.7610 3421.2516 3438.4104 3441.0690 3465.2336 3891.8301 5.1965 4.5168 6.6091 3.5851 7.2340 4.2674 3.6776 4.3311 3.8416 4.0205 4.0003 5.1065 6.3748 3.5757 4.6057 3.3936 4.0029 4.5343 2.9696 3.1765 1.7342 1.0341 3.4523 2.0409 1.6196 2.5269 1.1041 3.6348 2.4602 1.1174 2.1704 1.6729 1.6153 2.1352 3.3611 2.3720 3.4691 2.8160 3.3789 1.9422 1.8820 2.9210 2.9940 2.6480 3.0945 3.1052 2.9500 2.8485 3.9756 6.0231 3.0979 3.6731 4.6210 3.5154 6.3791 7.0294 6.2665 4.6346 4.7459 1.9044 5.1123 3.9503 3.4677 4.1727 2.2309 3.6210 3.8064 4.8682 1.2573 3.2065 1.5705 3.3732 2.5021 2.0817 1.7089 1.7091 2.0073 1.6872 1.9657 1.4284 1.2094 1.2027 2.5483 5.7056 1.3699 2.5770 2.7738 1.4096 1.3257 2.2689 1.3708 1.5237 1.3679 1.3722 1.5793 2.2631 2.2710 2.1334 1.8511 2.1948 2.9800 2.6910 3.2085 1.6102 1.2847 1.2158 3.0697 2.0076 1.8982 2.3481 2.4887 2.4820 2.6049 2.6324 2.4031 2.5478 1.7334 1.2986 1.8258 1.2808 1.3460 1.3131 1.2835 1.2963 1.2849 2.2715 1.2504 1.5066 1.2449 1.2353 2.0256 1.0498 1.0508 1.0511 1.0602 1.0570 1.0571 1.1140 8.0598 1.0583 1.0563 1.0549 1.0537 1.0598 1.0565 2.0942 2.3454 1.0535 1.7068 7.5142 5.0714 5.3132 5.2136 12.1687 8.6895 11.1674 1.0382 1.0399 1.0425 1.0414 1.0408 1.0426 1.0395 1.1037 1.0967 1.0893 1.1031 1.1028 1.1016 1.0956 1.1006 1.1009 1.0931 1.0982 1.1011 1.0996 1.0992 1.0977 1.0964 1.0862 1.0891 1.0922 1.0953 1.0989 1.0912 1.0928 1.0955 1.0941 1.0784 0.0009 0.0016 0.0041 0.0033 0.0079 0.0060 0.0074 0.0111 0.0141 0.0197 0.0227 0.0395 0.0647 0.0399 0.0686 0.0630 0.0863 0.1045 0.0720 0.0988 0.0565 0.0373 0.1332 0.0883 0.0736 0.1289 0.0584 0.2082 0.1448 0.0665 0.1379 0.1150 0.1191 0.1643 0.2706 0.2054 0.3212 0.2928 0.3959 0.2345 0.2329 0.3634 0.3868 0.3499 0.4305 0.4658 0.4524 0.4790 0.6976 1.1434 0.6112 0.7761 1.0165 0.8188 1.7424 1.9623 2.0694 1.5593 1.6924 0.6922 1.8963 1.5646 1.4427 1.7675 0.9661 1.6228 1.8073 2.3316 0.6780 1.7375 0.8618 1.8989 1.4453 1.2404 1.0218 1.0270 1.2095 1.0276 1.2247 0.9076 0.7975 0.7935 1.7144 3.9909 0.9807 1.8618 2.0286 1.0459 0.9919 1.7186 1.0490 1.1860 1.0816 1.0853 1.2759 1.8436 1.8799 1.7814 1.5673 1.9104 2.7086 2.4690 3.0738 1.6199 1.2972 1.2287 3.2105 2.1098 2.0185 2.5404 2.7495 2.7496 2.9065 2.9629 2.7630 2.9650 2.1533 1.6290 2.3770 1.6993 1.8728 1.8635 1.8288 1.8491 1.8375 3.2672 1.8107 2.1940 1.8405 1.8370 3.1374 1.6303 1.6428 1.6617 1.6780 1.6748 1.6781 1.7702 12.8334 1.6926 1.7003 1.6998 1.6997 1.7320 1.7398 3.4574 3.8810 1.7526 2.9452 13.8972 9.5186 10.2420 10.0758 24.9840 19.2262 24.7527 6.2613 6.3120 6.3357 6.3412 6.3488 6.3621 6.4046 6.9014 6.8582 6.8391 6.9376 6.9472 6.9521 6.9374 7.0144 7.0378 7.0266 7.0892 7.1179 7.1469 7.1610 7.2242 7.2668 7.2063 7.2566 7.3269 7.3769 7.4439 7.5255 7.6123 7.6425 7.7406 9.6239 0.1207 0.6025 0.0145 0.4747 0.0120 0.4238 1.9460 2.2610 0.2644 0.6986 0.7234 11.6521 1.9330 1.5963 0.0195 0.2732 1.0052 4.0395 1.6812 3.7986 3.1619 0.3959 0.2965 1.2330 2.4320 2.0961 0.1980 2.3873 3.8896 0.4831 1.0163 0.2599 4.1048 7.0863 4.0416 0.5981 0.2738 10.4411 3.2489 30.3395 41.4292 0.6417 0.6507 6.8676 11.0178 1.7310 5.6963 3.2637 8.9587 2.5583 9.1015 8.5451 14.7693 7.1450 0.0460 0.8274 6.3057 6.9073 6.6132 34.9316 4.6265 32.8609 19.7113 83.3320 10.8343 39.2605 25.6647 12.3152 0.6943 46.2137 28.0082 19.0917 4.1297 21.0482 1.0900 0.3669 9.4317 2.7778 4.0731 4.8172 0.3070 0.1956 5.6726 0.6775 0.5640 12.1208 4.2456 2.7268 0.4425 3.9234 8.3887 13.5298 0.4915 5.1043 3.5194 20.5616 29.0429 15.8728 8.4970 2.7772 14.9921 7.2182 60.3919 14.6086 4.4258 0.5014 16.9403 105.7473 109.0314 111.0236 55.2636 5.0447 13.2017 160.6991 56.3508 107.7207 39.9965 1.7487 101.7921 25.5577 16.9802 8.3039 6.8056 25.6332 8.7442 3.4156 3.0330 52.4259 24.6453 30.1269 7.1345 0.7856 2.1360 4.2855 2.1029 2.2480 4.7832 81.2945 303.9760 4.9258 5.2208 6.4613 3.9210 6.5195 14.0129 15.1725 7.0403 17.3403 335.3066 81.2489 3.4513 1.2988 2.4373 397.2612 219.3626 243.8758 20.4789 33.4056 33.0668 23.6141 22.7822 15.1820 24.5682 28.7043 25.9115 21.3709 45.3586 48.1208 35.5204 11.2169 68.3856 76.7060 19.5220 20.6115 56.5307 1.5079 24.6232 5.8151 10.0840 5.2184 0.1157 30.0394 51.2765 15.4218 0.6823 1.8488 0.6347 27.2734 23.6557 2.0256 0.3536 4.5560 0.1684 1.7752 1.8201 1.1686 1.3526 2.4062 0.3172 3.8968 1.0427 0.7775 0.3428 2.7309 1.5876 1.3395 1.6059 1.2098 1.7935 0.7289 0.0176 3.0488 2.1602 0.6533 3.1869 0.1300 1.6152 1.0136 0.0410 0.7316 0.4897 0.5050 1.7990 0.9943 0.2744 0.7465 2.0925 0.7931 0.4768 0.5161 0.1535 0.1419 0.9506 2.1727 1.0679 1.4732 0.6824 1.1106 0.7595 2.8853 3.6995 1.0463 2.7127 4.6421 8.0706 3.2237 2.1396 3.7691 0.9000 1.3044 3.9214 6.6799 2.2077 4.4096 6.1199 6.8218 9.2665 2.1977 5.1916 4.6291 11.8092 3.2378 5.3681 6.4843 7.5418 6.2916 8.9669 5.8441 1.0019 0.2348 0.1526 1.5417 27.0849 0.1224 3.1707 2.6582 1.9690 0.2864 12.9630 1.4196 6.1310 5.6483 3.8974 4.6843 10.1840 8.9600 2.7612 1.9661 3.4405 46.3449 3.6127 1.8842 6.8806 7.6335 2.7747 1.7224 11.5063 1.6657 1.6075 1.5603 2.2721 3.2253 3.2637 2.6837 3.8563 1.2258 0.6577 0.8423 7.4513 10.5057 2.0681 0.9003 1.1722 0.6753 0.4276 0.7496 1.7127 0.4433 1.3931 0.5621 4.2366 11.0415 22.5481 7.3101 26.0270 29.5136 18.8988 148.9605 3.9289 43.7040 7.7724 3.6187 5.5998 1.4544 1.2737 16.3824 1.5252 1.5139 1.2561 9.1218 184.8566 22.4650 0.5977 17.1149 15.9945 31.5462 3.7642 40.4348 52.8840 285.8872 38.4693 170.3801 36.1991 48.2630 36.7627 48.1882 71.9261 49.3361 73.5927 157.3217 97.1403 56.4328 49.4166 41.3858 9.3344 58.9623 25.9455 40.6536 22.6888 106.0388 59.8793 6.1882 292.0508 27.7236 53.4739 75.2370 71.7819 24.1536 0.7430 0.7401 0.7453 0.7441 0.7483 0.7490 0.7278 0.7346 0.7320 0.3345 0.7393 0.7289 0.7438 0.7493 0.6514 0.7154 0.1628 0.7241 0.6095 0.6781 0.1648 0.5532 0.4872 0.6793 0.7144 0.6735 0.1949 0.2894 0.6473 0.7500 0.3150 0.5412 0.7276 0.7493 0.2698 0.6499 0.4792 0.1139 0.6080 0.5106 0.5393 0.3421 0.7493 0.3268 0.2034 0.6823 0.2607 0.3761 0.1318 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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 11838.4305 16836.4855 21183.7861 0.99809 0.06178 -0.00168 -0.06180 0.99801 -0.01238 0.00091 0.01246 0.99992 1 0.00732 0.00514 0.00409 0.15245 0.10719 0.08519 24.64 35.70 46.50 57.20 62.06 70.23 84.13 94.97 113.56 131.14 141.08 164.78 188.80 198.07 228.84 255.49 275.22 284.56 291.89 330.59 338.46 355.92 368.22 389.89 399.59 423.31 431.17 448.57 454.67 457.34 472.48 491.40 509.01 520.03 531.85 551.54 570.34 604.43 641.61 651.24 659.42 661.12 673.77 681.33 699.14 726.01 734.08 768.66 785.21 816.71 832.60 861.63 879.14 904.63 979.65 990.36 1077.16 1087.24 1119.32 1130.04 1141.59 1179.67 1209.03 1219.96 1233.48 1254.82 1291.61 1297.20 1376.46 1379.82 1388.53 1406.38 1424.62 1446.92 1449.39 1453.05 1455.00 1462.88 1479.54 1494.15 1522.15 1522.56 1537.44 1567.66 1585.96 1593.22 1602.99 1614.66 1621.40 1631.39 1639.70 1653.69 1666.72 1667.04 1684.82 1691.80 1705.38 1712.83 1724.72 1748.79 1787.03 1795.45 1834.67 1880.08 1883.51 1884.35 1916.92 1921.56 1932.89 1949.66 1970.21 1972.86 1979.97 1988.60 2009.89 2022.08 2089.15 2099.35 2138.72 2159.04 2210.98 2232.98 2237.45 2238.73 2241.55 2248.04 2255.65 2261.99 2279.13 2285.83 2332.79 2335.80 2343.61 2356.74 2358.17 2359.47 2361.61 2362.85 2365.24 2370.54 2378.18 2379.38 2380.70 2396.26 2405.30 2408.44 2411.17 2417.61 2462.25 2549.12 2567.98 2602.45 2605.78 2685.83 2788.16 2790.64 4603.15 4617.96 4620.94 4625.32 4629.43 4630.40 4652.67 4687.25 4687.32 4696.78 4700.79 4704.73 4708.86 4716.81 4731.93 4739.39 4752.39 4762.42 4765.76 4778.67 4784.33 4808.67 4825.73 4828.07 4838.39 4854.87 4864.60 4878.55 4922.42 4947.11 4950.93 4985.70 5599.48 0.590425 0.620686 0.621630 0.528132 -1428.021476 -1427.991214 -1427.990270 -1428.083768 3.135938D-04 MUNgauss RevisionA2.1 retrievium 06-Feb-2021 DUDE C[C@@H](c1ccccc1)[C@@H](C(=O)NC(C)(C)C)N(C(=O)c2ccc(cc2)[N+](=O)[O-])C(C)(C)C C36593557 RHF 6-31G(d) (6D,10F) C1 439.247107 |X|Y|Z| 85.102292 67.757298 47.976882 65.159306 16 6 7 15 1 |36.858105| |12.356017|36.858105| |9.018132|17.645604|0.500000| |7.662347|12.468823|0.248800|36.858105| |5.655495|7.557885|0.205728|13.701692|36.858105| |4.197902|5.003492|0.133787|7.875272|13.746665|36.858105| |3.826412|4.402254|0.111009|6.798902|7.936325|13.768484|36.858105| |4.308166|4.972107|0.116504|7.881699|6.908596|7.974156|13.754458|36.858105| |5.931931|7.442393|0.155315|13.691702|7.993395|6.900808|7.930200|13.759617|36.858105| |7.389541|12.201973|0.245444|7.363333|5.076672|3.870661|3.657865|4.285522|6.131139|36.858105| |6.726683|8.961485|0.175892|6.991147|4.687290|3.773846|3.775689|4.709852|6.983856|17.616946|0.500000| |6.581111|7.494828|0.186573|4.860952|3.801723|3.034275|2.865190|3.242457|4.233546|12.311000|0.248342|36.858105| |5.278967|5.964940|0.172081|4.106176|3.450325|2.778875|2.572381|2.809030|3.506562|7.897433|0.164237|15.834100|73.516695| |6.089788|5.748618|0.137571|4.160423|3.283667|2.724127|2.649736|3.049121|3.902224|7.796065|0.214598|14.134393|15.102713|53.358707| |4.548013|4.108039|0.105185|3.190001|2.667328|2.277168|2.215787|2.487889|3.023331|4.919819|0.134608|7.549888|11.728133|17.568506|36.858105| |3.497129|3.412754|0.090307|2.748074|2.354794|2.040828|1.988324|2.206537|2.618876|4.211423|0.113641|6.124328|10.912363|10.488919|12.424774|36.858105| |3.974587|3.483261|0.087283|2.883657|2.423684|2.125481|2.116575|2.402236|2.859211|3.989778|0.117373|5.124915|7.819579|10.798842|12.434934|7.608269|36.858105| |4.599183|3.924990|0.105524|3.029839|2.619744|2.225717|2.121525|2.321449|2.779041|4.229286|0.110165|6.117021|10.883865|10.474415|12.425484|7.558006|7.608396|36.858105| |4.859355|7.391827|0.189485|6.017928|4.688435|3.730318|3.518509|3.981205|5.210014|12.904572|0.257240|7.610096|11.627518|7.246098|3.884626|3.683739|3.225971|3.393756|53.358707| |4.290715|6.527151|0.191267|6.086178|5.360842|4.230868|3.793212|4.019305|4.943436|7.571911|0.166057|5.278854|9.000544|5.396646|3.116595|2.977478|2.652050|2.879003|18.566629|36.858105| |3.572587|5.020214|0.141468|5.357016|5.030920|4.329613|3.992213|4.142921|4.739085|5.505979|0.136226|4.060140|6.877885|4.467955|2.662054|2.570674|2.342384|2.457568|11.412626|15.922193|73.516695| |4.169141|5.966194|0.210477|5.238715|5.189798|4.012024|3.391596|3.400184|4.031088|5.874588|0.126863|4.807151|9.067257|4.910754|2.963042|2.831815|2.483840|2.886239|10.250718|12.600930|14.656218|36.858105| |3.609909|4.809978|0.165139|4.765030|5.404832|4.377612|3.528182|3.327074|3.716664|4.345393|0.101123|3.638476|6.724662|3.977554|2.476979|2.358483|2.141452|2.458069|6.940766|7.679674|12.334130|13.654938|36.858105| |3.176229|3.899617|0.133930|3.768329|4.317202|3.658035|2.973680|2.772401|3.029090|3.500752|0.083016|3.144457|5.990326|3.527982|2.273240|2.178028|1.970603|2.318668|5.270219|5.063053|8.276004|7.907912|13.822005|36.858105| |3.126211|3.700645|0.128514|3.348491|3.624625|3.049824|2.558926|2.453298|2.724530|3.413515|0.080012|3.262740|6.526698|3.640424|2.394912|2.319567|2.039350|2.495330|5.020165|4.477719|6.978309|6.932493|8.022837|13.744661|36.858105| |3.438626|4.112946|0.144761|3.472810|3.531564|2.902178|2.493271|2.469145|2.823075|3.982788|0.090382|3.989462|8.510668|4.283752|2.808991|2.751774|2.316721|2.929886|5.876863|5.003148|7.284949|7.925743|6.861668|7.872401|13.822338|36.858105| |4.021346|5.248343|0.187694|4.221244|4.072037|3.234347|2.801416|2.844392|3.364215|5.404247|0.115637|5.185761|11.125626|5.177517|3.224240|3.143646|2.610565|3.227544|8.553032|7.490390|9.631580|13.745456|7.916982|6.837445|8.000452|13.727661|36.858105| |2.646140|2.966010|0.098776|2.731845|2.966808|2.595875|2.211666|2.107056|2.291929|2.743456|0.066229|2.695056|5.359237|3.122393|2.116585|2.062075|1.829476|2.242517|3.927190|3.333760|5.395793|4.526780|5.137894|7.773994|13.044509|7.787934|5.126850|53.358707| |2.425423|2.695033|0.087926|2.571713|2.864052|2.579194|2.188471|2.047874|2.182613|2.464375|0.060563|2.378097|4.606259|2.803640|1.901543|1.843928|1.672508|2.003040|3.519303|3.002589|5.018483|3.905143|4.688443|7.089853|8.373611|5.428337|4.092580|21.716868|73.516695| |2.510352|2.743699|0.090006|2.476078|2.616539|2.295426|1.993539|1.927409|2.106421|2.589618|0.062768|2.634435|5.343468|3.083540|2.135250|2.103250|1.835866|2.295105|3.658663|2.990457|4.801290|3.903953|4.097706|5.418822|8.369814|7.085615|4.675208|21.727644|16.021641|73.516695| |3.747226|4.917107|0.124109|4.489236|3.645077|3.140516|3.126998|3.606507|4.431033|7.494204|0.207642|5.719239|8.857904|6.360659|3.588823|3.587004|3.111982|3.010969|17.205264|7.763437|12.261176|5.030124|3.872111|3.096153|2.962516|3.374630|4.465719|3.296800|3.923560|4.069158|36.858105| |3.592781|4.289035|0.107478|3.720604|3.033302|2.638825|2.647909|3.064435|3.732699|6.584138|0.194690|6.306751|9.522655|7.705374|4.390405|4.629196|3.776147|3.418588|10.423540|5.090781|7.951543|3.921168|3.105376|2.623096|2.604989|3.016622|3.827428|2.984029|3.536339|3.774415|12.393179|36.858105| |2.985453|3.764120|0.101740|3.525930|3.096694|2.747776|2.699074|2.963583|3.412185|4.970109|0.130777|4.299204|7.409967|4.882861|2.981302|3.122212|2.597745|2.593108|10.407850|6.739131|11.913386|4.826056|3.826464|3.113792|2.993675|3.391390|4.376836|3.349696|3.985873|4.140934|12.367190|7.769849|36.858105| |3.491793|4.430222|0.107813|4.568556|3.693091|3.346109|3.534626|4.274024|5.067749|5.874430|0.188383|4.376065|6.654500|5.331540|3.080969|2.988380|2.838868|2.615670|10.240645|5.989556|11.173493|4.070271|3.425081|2.759213|2.566243|2.792212|3.493181|2.919100|3.557043|3.575781|12.406584|7.617237|7.556589|36.858105| |17.607123|8.687934|0.217567|5.530786|4.480036|3.464326|3.159574|3.472423|4.496712|6.617745|0.160560|7.321775|10.950378|9.415409|5.399177|3.969316|4.442010|5.952299|6.137132|3.939568|5.775556|3.986558|3.401428|3.087086|3.164356|3.586853|4.117780|3.688251|4.346321|4.669380|3.526642|3.521124|2.877399|3.168318|0.500000| |17.544931|8.688846|0.174271|6.779855|4.894868|3.907023|3.792708|4.504906|6.256445|6.717918|0.198248|6.009087|8.226181|8.639839|4.700961|3.526433|4.408752|4.487439|6.093510|3.832725|5.871196|3.552040|3.111422|2.739093|2.679721|2.924396|3.399798|3.140727|3.800867|3.916718|3.686090|3.643663|2.887828|3.573145|0.300589|0.500000| |17.587890|8.860092|0.215635|7.269538|6.144278|4.583213|4.036496|4.322588|5.556842|5.439992|0.140364|4.858585|7.512335|6.190295|3.694804|2.952270|3.343199|3.878609|5.500299|3.820501|5.847542|3.855677|3.535646|3.187854|3.096477|3.278451|3.671051|3.629575|4.415458|4.458138|3.200928|3.018841|2.645848|3.060373|0.302412|0.302864|0.500000| |5.429901|7.054083|0.229034|8.918620|17.718980|8.948698|5.655116|4.970725|5.667316|4.746546|0.115977|3.757095|6.319079|4.331736|2.633456|2.340460|2.351466|2.654395|6.063217|5.275071|8.484935|5.817143|6.463619|5.315355|4.359107|4.110018|4.594678|4.762781|5.993860|5.367430|3.400085|2.868945|2.981217|3.290341|0.126221|0.123895|0.168080|0.500000| |3.559980|4.093887|0.114755|5.624211|8.928390|17.713703|8.914865|5.657633|4.966213|3.268451|0.087468|2.669579|4.453760|3.274525|2.056829|1.863871|1.921035|2.037064|4.375039|3.701466|6.809056|3.686819|4.243027|3.712606|3.043132|2.804425|3.021508|3.598805|4.783440|4.112812|2.748195|2.338246|2.484786|2.882013|0.084695|0.091463|0.109252|0.216578|0.500000| |3.170028|3.526298|0.090918|4.913607|5.641526|8.905936|17.719587|8.904008|5.640481|3.045971|0.087555|2.471057|3.997281|3.152723|1.977904|1.794202|1.909563|1.899452|4.056834|3.207610|6.104712|2.914617|3.076251|2.664200|2.303093|2.223851|2.452962|2.761611|3.611221|3.261863|2.733636|2.350600|2.422700|3.105134|0.074880|0.088110|0.092989|0.124292|0.214414|0.500000| |3.680263|4.062155|0.096341|5.626944|4.970226|5.659024|8.913605|17.713715|8.935727|3.734112|0.117316|2.932300|4.523363|3.859984|2.352695|2.103326|2.322858|2.171903|4.777158|3.454865|6.408721|2.922728|2.844209|2.415933|2.168770|2.192727|2.503658|2.571647|3.271360|3.101768|3.357098|2.926671|2.785835|4.125385|0.084948|0.110388|0.101277|0.107821|0.124203|0.214530|0.500000| |5.869144|6.850750|0.139613|8.875550|5.658315|4.967668|5.662397|8.990532|17.725686|6.609356|0.244529|4.597069|6.496300|6.042718|3.352235|2.869787|3.233972|2.969125|7.246020|4.601619|7.710866|3.686301|3.288027|2.724583|2.516654|2.665640|3.194130|2.905517|3.585740|3.540387|4.801581|4.228024|3.533412|5.666180|0.126713|0.189544|0.142508|0.124108|0.107770|0.124533|0.217936|0.500000| |6.250475|5.747124|0.129688|4.398263|3.372755|2.835225|2.826662|3.353188|4.361159|7.586419|0.250217|9.488229|10.918384|26.105887|9.025981|6.002742|7.923335|5.990328|6.949930|3.821666|5.779623|3.367503|2.789481|2.452556|2.475358|2.833856|3.398601|2.903102|3.452475|3.708463|4.668391|5.584691|3.481875|4.181157|0.178836|0.203752|0.129361|0.088180|0.068688|0.068420|0.087686|0.145618|0.500000| |3.266037|3.276518|0.085215|2.709548|2.305698|2.019623|1.994914|2.237398|2.645285|4.176965|0.117256|5.646555|9.483591|9.562222|8.787957|17.553248|6.965663|5.492666|5.127423|2.992359|4.661222|2.754627|2.297176|2.095855|2.197434|2.575617|2.978432|2.649264|3.118217|3.497053|3.895116|5.419729|3.364913|3.254625|0.098851|0.093388|0.076812|0.062810|0.051049|0.050146|0.059879|0.081776|0.166507|0.500000| |3.035741|2.907196|0.077831|2.402951|2.100012|1.844458|1.799787|1.978126|2.302957|3.416944|0.092900|4.614578|8.413258|7.605330|8.821827|17.548810|6.947568|6.908312|4.149491|2.555518|3.993536|2.470952|2.105610|1.976139|2.113439|2.473636|2.740853|2.606869|3.060774|3.505083|2.988405|3.713376|2.679888|2.564863|0.095565|0.085263|0.073159|0.058231|0.047226|0.045533|0.052721|0.069461|0.130513|0.301133|0.500000| |3.476051|3.515571|0.095954|2.791237|2.418232|2.077692|1.997040|2.189749|2.598866|4.370993|0.112139|6.554606|13.487201|9.403085|8.777981|17.627316|5.513494|6.874908|5.396034|3.224475|4.869423|3.132542|2.562747|2.376151|2.576163|3.141317|3.610298|3.094631|3.564707|4.155367|3.769325|4.744504|3.371282|3.022064|0.110272|0.093884|0.081907|0.067698|0.052948|0.049960|0.057409|0.077640|0.145857|0.300759|0.301083|0.500000| |4.423830|3.648381|0.089933|3.048515|2.550020|2.238302|2.237041|2.551990|3.044921|3.966230|0.118345|4.820970|7.213695|9.766927|8.759070|5.503280|17.534738|6.934709|4.254741|2.608960|4.114056|2.451556|2.140327|1.970210|2.021574|2.265843|2.538362|2.472919|2.971903|3.221057|2.954881|3.430252|2.449480|2.767490|0.136308|0.142830|0.103776|0.068265|0.055961|0.055919|0.068524|0.095957|0.219247|0.141547|0.141342|0.122838|0.500000| |3.337519|2.951342|0.075851|2.493641|2.149389|1.907369|1.894872|2.117821|2.464060|3.294034|0.094944|4.133382|6.712218|7.721404|8.816357|6.934444|17.580173|6.942243|3.770983|2.338427|3.711089|2.226887|1.945080|1.815535|1.892576|2.139746|2.361833|2.344452|2.805435|3.100139|2.693434|3.222377|2.322136|2.467444|0.103870|0.100261|0.080683|0.058460|0.048445|0.047979|0.057146|0.075962|0.152180|0.171790|0.208447|0.141329|0.301767|0.500000| |3.643356|3.334968|0.082548|2.837394|2.368790|2.100748|2.124198|2.442153|2.893033|3.952435|0.121186|4.820067|7.217325|9.763633|8.759304|6.942897|17.534034|5.503378|4.456570|2.657698|4.226238|2.426949|2.092254|1.906539|1.951926|2.204651|2.508482|2.374997|2.849136|3.094712|3.299229|4.157084|2.726431|3.059550|0.107914|0.113924|0.085508|0.063036|0.052548|0.053411|0.066511|0.092811|0.219330|0.209484|0.171689|0.141460|0.300067|0.301786|0.500000| |4.612380|4.116072|0.115892|3.104977|2.723188|2.284109|2.139897|2.309437|2.765741|4.404240|0.108984|6.568204|13.469389|9.419627|8.776992|6.853326|5.513427|17.625335|4.911756|3.103172|4.629799|3.214724|2.700226|2.571549|2.834897|3.427193|3.749006|3.447588|3.952813|4.657916|3.107865|3.446716|2.720949|2.633630|0.168993|0.117791|0.108902|0.078227|0.058389|0.053077|0.059363|0.080426|0.145984|0.140108|0.169423|0.204114|0.141533|0.141251|0.122836|0.500000| |3.681978|3.208355|0.087101|2.586150|2.283410|1.978720|1.897230|2.059592|2.409704|3.427775|0.090941|4.616171|8.419297|7.599501|8.823246|6.931432|6.925369|17.550191|3.917926|2.493632|3.858124|2.509698|2.178030|2.082375|2.247948|2.606034|2.800618|2.805592|3.292950|3.789743|2.628687|2.992431|2.321627|2.315720|0.125570|0.101259|0.089865|0.064329|0.050827|0.047737|0.054093|0.071240|0.130220|0.141365|0.208382|0.170901|0.170664|0.207920|0.141160|0.301151|0.500000| |5.331432|4.157270|0.110171|3.215865|2.776949|2.352560|2.238820|2.450432|2.941370|4.190466|0.110626|5.608979|9.405779|9.506079|8.783969|5.491849|6.987438|17.552281|4.451973|2.819204|4.303608|2.832812|2.454045|2.316924|2.462966|2.829410|3.092552|3.021871|3.559231|4.000623|2.861611|3.148526|2.441305|2.553416|0.201291|0.145975|0.125826|0.077960|0.059635|0.055497|0.063423|0.086895|0.165496|0.122895|0.141293|0.140157|0.209952|0.172852|0.141711|0.300591|0.301378|0.500000| |3.420649|4.534251|0.145232|4.961185|5.953929|5.112223|4.050547|3.689071|3.970483|4.070388|0.098590|3.301867|5.884336|3.709352|2.304466|2.185953|2.034124|2.259013|6.512318|7.215423|13.696246|8.927206|17.773398|8.945460|5.681572|4.950943|5.650577|5.665535|7.161336|6.047359|3.796040|2.986778|3.733488|3.546816|0.087170|0.083843|0.094237|0.186892|0.139295|0.098116|0.086728|0.095099|0.073873|0.059853|0.054412|0.064941|0.056831|0.051282|0.055732|0.067622|0.055906|0.063126|0.500000| |2.826124|3.355446|0.110882|3.374950|3.985847|3.564894|2.890287|2.628292|2.784760|2.994384|0.073033|2.698536|5.057170|3.113087|2.030683|1.944682|1.790841|2.075838|4.432339|4.123294|7.109514|5.623765|8.897907|17.790992|8.920804|5.631188|4.939413|9.776811|14.188389|8.829459|2.702553|2.314269|2.727665|2.482273|0.075816|0.068778|0.080367|0.134708|0.104777|0.073358|0.064041|0.069255|0.060810|0.052179|0.049511|0.058289|0.049990|0.046121|0.048240|0.063168|0.052341|0.058018|0.213762|0.500000| |3.169793|3.602503|0.122039|3.019283|3.021167|2.531586|2.215807|2.212285|2.516997|3.562668|0.082363|3.784038|8.350862|4.164975|2.829540|2.819719|2.316213|3.019450|5.099742|4.068795|6.060552|5.637924|4.952056|5.628176|8.946411|17.791235|8.884088|9.786205|8.835036|14.168910|3.046363|2.837375|3.074288|2.526020|0.094553|0.075815|0.083766|0.095632|0.068116|0.055426|0.055281|0.067107|0.075569|0.072217|0.071331|0.090751|0.062416|0.060173|0.060710|0.100074|0.075632|0.079800|0.107592|0.124273|0.500000| |4.131561|5.258795|0.175753|4.023045|3.675810|2.952231|2.634739|2.749913|3.304397|6.051885|0.126655|6.472875|15.718609|6.106758|3.780058|3.770066|2.945068|3.713069|9.439900|6.889867|8.795469|8.928096|5.641044|4.941627|5.685366|8.942886|17.821393|5.669323|6.050858|7.163788|4.952904|4.468658|4.757922|3.666495|0.121360|0.098460|0.100815|0.110567|0.075640|0.064231|0.068150|0.090085|0.107202|0.098273|0.089125|0.124885|0.077976|0.073537|0.078428|0.122354|0.088293|0.095724|0.124346|0.107432|0.214504|0.500000| |3.527196|4.134704|0.107804|3.439770|2.869889|2.472090|2.427685|2.740118|3.311937|6.198400|0.165059|6.989858|11.559727|8.170370|4.864574|5.547260|3.922564|3.775068|9.578048|4.869133|7.335347|4.015144|3.121891|2.687854|2.745762|3.277680|4.174293|3.146582|3.676889|4.034139|8.741205|17.585981|7.016020|5.507509|0.099771|0.096828|0.082328|0.077393|0.061637|0.060088|0.071996|0.101246|0.150166|0.179470|0.119484|0.168754|0.096321|0.094179|0.116475|0.108399|0.091637|0.093288|0.081186|0.065258|0.087273|0.143069|0.500000| |3.010129|3.482081|0.088576|3.161992|2.655299|2.377029|2.419288|2.779847|3.252925|4.833327|0.145097|4.677404|7.425639|6.064620|3.736869|4.067865|3.376772|2.964013|7.590368|4.193747|6.968741|3.325023|2.736529|2.348031|2.324803|2.642940|3.238339|2.709968|3.241771|3.438963|8.885812|17.578961|7.300190|6.975017|0.081934|0.085697|0.072154|0.069726|0.059158|0.060710|0.075413|0.101731|0.124679|0.135917|0.094434|0.113840|0.085052|0.082211|0.105434|0.082204|0.074159|0.076070|0.074126|0.058400|0.069697|0.102257|0.301863|0.500000| |3.982340|4.557729|0.109264|3.910647|3.094642|2.687812|2.733185|3.243991|4.041445|7.067024|0.239336|6.904955|9.449730|9.543376|5.107666|5.049915|4.531684|3.763105|9.135051|4.533665|7.080408|3.588751|2.901058|2.473432|2.453720|2.813323|3.500183|2.838224|3.381311|3.595977|8.649897|17.612081|5.549479|6.937787|0.107717|0.116926|0.090938|0.080195|0.065511|0.067071|0.086786|0.133744|0.208829|0.167383|0.110760|0.134543|0.114242|0.103159|0.143934|0.101654|0.090325|0.097319|0.078000|0.061094|0.073900|0.111975|0.300656|0.304827|0.500000| |2.828922|3.596733|0.098740|3.532014|3.208009|2.898272|2.836193|3.046878|3.409568|4.424770|0.116172|3.710907|6.435662|4.246169|2.618730|2.688161|2.314821|2.337721|9.060961|7.095365|14.828883|5.028206|4.173758|3.324742|3.090561|3.381273|4.284728|3.441866|4.146671|4.183385|8.669564|5.566202|17.678822|6.939331|0.074737|0.075474|0.071130|0.085731|0.073369|0.071121|0.079152|0.095015|0.085011|0.079042|0.065252|0.080119|0.061586|0.057910|0.066900|0.068253|0.058439|0.062039|0.116916|0.081554|0.083512|0.121578|0.141070|0.147903|0.122584|0.500000| |2.646987|3.198563|0.085518|3.035962|2.684112|2.437765|2.440119|2.690620|3.030324|4.119215|0.113515|3.728498|6.394123|4.466535|2.809441|3.005509|2.506422|2.418586|7.588287|4.901777|8.902736|3.787054|3.150356|2.653760|2.573444|2.877762|3.543438|2.961248|3.555923|3.700891|8.854047|7.393847|17.568071|6.816122|0.071284|0.072502|0.065604|0.071456|0.061678|0.061800|0.071936|0.088668|0.089582|0.092224|0.072586|0.088651|0.065143|0.062812|0.074290|0.069491|0.061055|0.063023|0.086339|0.065897|0.074191|0.107090|0.181031|0.233675|0.147913|0.302788|0.500000| |2.953044|3.681336|0.103015|3.309889|2.953467|2.585227|2.485085|2.681233|3.096414|4.811803|0.120347|4.481413|8.247181|4.955324|3.089057|3.321447|2.619256|2.723006|9.731140|6.458289|10.438369|5.150488|3.951601|3.288745|3.271439|3.845265|5.036595|3.636184|4.247931|4.546154|8.775231|6.955750|17.548391|5.494970|0.081042|0.077943|0.072689|0.081171|0.065730|0.062061|0.069472|0.088207|0.094728|0.097769|0.079028|0.103287|0.067902|0.065581|0.075179|0.081028|0.067805|0.070124|0.102598|0.078756|0.097823|0.158796|0.207149|0.174866|0.140612|0.300736|0.301825|0.500000| |3.892392|4.813446|0.111209|5.054857|3.877732|3.508769|3.816737|4.922671|6.117029|6.317295|0.233057|4.586628|6.655440|5.849335|3.296743|3.082352|3.113440|2.763001|9.175040|5.226320|9.249093|3.747428|3.194459|2.610872|2.439554|2.646507|3.265700|2.799609|3.421336|3.440651|8.730783|6.930793|5.479254|17.554045|0.095823|0.115227|0.093501|0.093595|0.082308|0.091907|0.134500|0.212082|0.134463|0.093144|0.073353|0.084439|0.085782|0.073909|0.094159|0.075823|0.067483|0.076056|0.091731|0.065643|0.066976|0.095406|0.141229|0.170973|0.207562|0.139975|0.140926|0.122558|0.500000| |2.958114|3.561350|0.088726|3.641051|3.064851|2.855581|3.044145|3.602694|4.045545|4.539057|0.143319|3.712671|5.801168|4.705340|2.836848|2.826384|2.669582|2.399637|7.492463|4.625849|8.766995|3.397446|2.933878|2.434110|2.288431|2.478694|3.015390|2.652194|3.247203|3.276611|8.829610|7.006008|7.007940|17.540336|0.076080|0.084873|0.073049|0.077098|0.069857|0.076546|0.100216|0.125508|0.102201|0.087182|0.068318|0.078753|0.071551|0.065357|0.081215|0.066633|0.060015|0.064600|0.084186|0.061594|0.063289|0.088347|0.142008|0.211697|0.174281|0.177033|0.207250|0.141532|0.302959|0.500000| 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