Version2.2 2021-02-10T17:50:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 07-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH2+]CCC[NH2+]Cc1ccc(cc1)OC[C@H](c2ccc3c(c2)n(c(=O)n3C)C)O C40719303 RHF 6-31G(d) (6D,7F) C[NH2+]CCC[NH2+]Cc1ccc(cc1)OC[C@H](c2ccc3c(c2)n(c(=O)n3C)C)O C01[X(C22H32N4O3)] 177 C1 499 C[NH2+]CCC[NH2+]Cc1ccc(cc1)OC[C@H](c1ccc2c(c1)n(C)c(=O)n2C)O C[NH2+]CCC[NH2+]Cc1ccc(cc1)OC[C@H](c1ccc2c(c1)n(C)c(=O)n2C)O C[NH2+]CCC[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3N(C)C(=O)N(C)c3c2)cc1 InChIKey=GQLIVPKOFSADML-OAQYLSRUSA-P InChI=1S/C22H30N4O3/c1-23-11-4-12-24-14-16-5-8-18(9-6-16)29-15-21(27)17-7-10-19-20(13-17)26(3)22(28)25(19)2/h5-10,13,21,23-24,27H,4,11-12,14-15H2,1-3H3/p+2/t21-/m1/s1 InChI=1/C22H30N4O3/c1-23-11-4-12-24-14-16-5-8-18(9-6-16)29-15-21(27)17-7-10-19-20(13-17)26(3)22(28)25(19)2/h5-10,13,21,23-24,27H,4,11-12,14-15H2,1-3H3/p+2/t21-/m1/s1/fC22H32N4O3/h23-24H/q+2 C[NH2+]CCC[NH2+]Cc1ccc(cc1)OC[C@H](c2ccc3c(c2)n(c(=O)n3C)C)O C01[X(C22H32N4O3)] 177 C01 499 C[NH2+]CCC[NH2+]Cc1ccc(cc1)OC[C@H](c1ccc2c(c1)n(C)c(=O)n2C)O C[NH2]CCC[NH2]C[C]1[CH][CH][C]([CH][CH]1)OC[C@H]([C]1[CH][CH][C]2[C]([CH]1)N(C)C(=O)N2C)O C[NH2]CCC[NH2]C[C]1[CH][CH][C]([CH][CH]1)OC[C@@H](O)[C]2[CH][CH][C]3[C]([CH]2)N(C)C(=O)N3C InChIKey=SGBDLKXDYISTLN-OAQYLSRUSA-N InChI=1S/C22H32N4O3/c1-23-11-4-12-24-14-16-5-8-18(9-6-16)29-15-21(27)17-7-10-19-20(13-17)26(3)22(28)25(19)2/h5-10,13,21,27H,4,11-12,14-15,23-24H2,1-3H3/t21-/m1/s1 InChI=1/C22H32N4O3/c1-23-11-4-12-24-14-16-5-8-18(9-6-16)29-15-21(27)17-7-10-19-20(13-17)26(3)22(28)25(19)2/h5-10,13,21,27H,4,11-12,14-15,23-24H2,1-3H3/t21-/m1/s1 2516.5115273038 -1293.6269169 1-A 31603.4811 107 392 499 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.74528 -20.67693 -20.60654 -15.98868 -15.95667 -15.69873 -15.69709 -11.58992 -11.57718 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5.3090 3.6758 6.4464 1.0648 4.6965 4.4823 1.1118 10.9960 1.1551 4.2983 4.6669 1.9626 2.0416 1.4348 2.0781 1.2477 2.8587 1.8581 2.4262 2.2302 4.7653 2.2661 1.4331 1.3322 1.3932 1.4876 3.0447 2.5036 4.9217 2.6474 4.2329 2.9112 1.2591 2.1786 2.4164 1.2100 2.6825 1.4130 2.1957 1.8362 1.2788 1.2740 1.6111 1.4962 1.5941 2.8790 2.4173 2.5168 1.6541 1.5133 1.8230 1.2483 1.3181 1.4684 1.8625 2.2628 1.4787 2.3913 1.2030 1.6322 1.3030 1.1163 2.0635 1.1069 1.2713 1.0991 1.6941 1.2675 2.8868 1.2171 2.1786 1.6495 1.3234 1.4450 1.2724 1.5639 1.0688 1.0319 2.0173 1.2719 1.1056 1.0430 1.0435 1.0853 1.1243 1.0863 1.1031 1.1817 3.2524 2.6219 5.7118 4.7812 6.9661 6.4947 1.0883 1.0749 11.4470 1.0857 1.0609 1.0372 1.0365 1.0572 1.1085 1.0397 1.0515 1.1070 1.0586 1.0602 1.1075 1.1114 1.1124 1.1122 1.0949 1.0985 1.1037 1.1001 1.1009 1.0921 1.1124 1.0896 1.1128 1.0955 1.0952 1.0937 1.0563 1.0561 1.0968 1.0968 1.0669 0.0002 0.0005 0.0013 0.0026 0.0016 0.0033 0.0080 0.0104 0.0231 0.0226 0.0129 0.0186 0.0308 0.0256 0.0131 0.0382 0.0153 0.0691 0.0307 0.0887 0.1055 0.1127 0.1355 0.0411 0.1625 0.1639 0.1894 0.2283 0.2391 0.1471 0.1922 0.1670 0.4138 0.3629 0.4988 0.5882 0.3912 0.4754 0.6296 0.5712 0.5781 1.1859 0.6252 1.1247 0.9946 1.1254 1.8729 1.3264 1.6439 1.3456 2.4084 0.4156 1.8508 1.8193 0.4623 4.6592 0.5186 1.9573 2.2472 0.9984 1.0419 0.7488 1.1102 0.6755 1.5733 1.0516 1.3909 1.3592 3.0198 1.4943 0.9498 0.9010 0.9519 1.0572 2.1672 1.7900 3.6115 1.9465 3.2477 2.2720 0.9875 1.7409 2.0239 1.0516 2.3457 1.2705 2.0096 1.6854 1.2033 1.2038 1.5446 1.4719 1.5727 2.9684 2.5546 2.6748 1.8045 1.6599 2.0514 1.4857 1.5789 1.7782 2.3085 2.8337 1.8520 3.0070 1.5411 2.0987 1.6890 1.4586 2.8143 1.5253 1.7688 1.5426 2.3780 1.8253 4.2052 1.8077 3.2598 2.4785 1.9892 2.1727 1.9380 2.3870 1.6719 1.6186 3.1658 1.9966 1.7526 1.6559 1.6579 1.7300 1.7947 1.7517 1.7873 1.9276 5.4384 4.4529 10.3955 9.0863 13.3595 12.6647 2.1330 2.1163 26.3705 6.5700 6.4441 6.3266 6.3468 6.5466 6.9171 6.5443 6.6243 6.9941 6.6963 6.7216 7.0364 7.1497 7.2672 7.3060 7.1988 7.2420 7.2933 7.3063 7.3192 7.2876 7.4871 7.3397 7.5024 7.4499 7.5167 7.5464 8.3003 8.3197 8.9135 8.9538 10.5495 6.6714 1.5276 0.2389 2.4630 3.5458 1.1520 5.4426 0.1420 1.1633 3.1509 0.4561 7.5222 1.4537 0.7516 0.2657 1.2771 4.1948 0.8207 6.1644 1.2465 4.0496 0.5762 1.2912 2.1683 2.1422 0.5704 1.5647 3.3422 1.4749 62.8323 12.4313 89.0962 43.4378 8.1745 4.5738 2.7133 0.2533 1.4832 2.8274 15.7027 4.1896 22.1779 34.5296 25.3475 41.3995 21.0839 5.3086 28.7944 13.1203 5.3965 7.6296 10.7979 1.3299 13.8171 0.3817 33.0174 14.9865 4.6247 216.7022 3.9151 1.0027 46.3362 21.0451 1.3122 25.4312 3.3109 30.0720 18.6550 88.6589 14.5327 0.2382 1.1658 3.6700 1.0453 1.6534 3.1311 11.3477 17.3305 109.3773 10.6816 4.3096 140.1236 19.8927 0.2477 19.1321 12.1250 70.6327 43.4929 0.0535 4.7259 27.7740 54.9452 187.0708 26.7189 22.9184 30.5906 8.6134 10.0974 14.3329 26.5729 5.0407 43.2791 42.8824 390.4193 184.3026 436.1257 18.5269 24.6903 1.2475 5.7942 45.9499 1.2587 67.1251 0.8646 9.9373 338.7624 230.5111 31.0943 9.5689 3.4950 7.6574 2.9923 9.4425 80.7786 50.2024 29.1223 53.3747 15.5405 5.7625 2.7123 16.3435 7.6255 62.6748 20.5016 78.4708 12.7397 184.7409 188.3164 52.7749 340.9447 18.4582 40.0459 17.8516 78.1688 1038.8931 34.1024 6.9211 55.3076 41.0197 21.0675 6.2906 0.4888 0.0880 37.3244 0.8310 12.8347 33.0449 23.2257 0.7218 2.3523 9.3594 10.3471 10.7304 0.4160 0.6967 10.7942 0.4655 6.3235 0.0000 6.0426 0.0956 3.3930 54.8962 47.0937 89.2282 67.7424 79.9879 1.5992 2.3491 2.2764 1.9426 1.0844 3.6689 1.8246 0.3594 0.8603 0.4701 0.4276 0.3289 1.1208 0.2962 0.0899 1.8187 0.7636 0.3769 0.0427 1.9066 2.1561 0.5633 2.7521 0.0060 0.8230 0.5579 1.0276 2.5914 0.9701 1.2191 0.4196 5.2291 0.7370 1.2452 0.8246 3.1871 0.0338 1.1065 1.0215 2.6062 2.1283 4.7844 1.9154 2.7095 9.5807 0.4928 8.5030 2.4131 3.2631 4.3719 23.4860 0.0237 0.2685 3.5299 0.2049 0.2644 0.1183 3.8838 42.7273 13.6301 17.3912 1.5049 3.9938 0.1970 1.0543 8.1547 7.5604 4.2072 3.0030 3.5927 2.1509 0.8377 0.9665 1.9677 7.9795 2.6011 9.7716 12.5536 15.2661 43.5928 0.1742 4.5588 14.7604 2.4805 2.0204 0.1742 4.2071 13.6275 5.0506 0.8454 9.0104 30.1565 48.6368 16.6751 20.2469 11.5961 1.7467 3.4895 8.1483 3.5328 7.3605 4.3710 13.8066 49.9935 13.9257 31.8615 9.3957 2.2873 6.7334 12.8924 37.3918 8.3758 36.7305 4.2347 34.9121 13.7248 15.1310 1.4418 0.8573 13.6165 3.7367 6.9133 3.0301 2.3392 1.5568 15.4458 21.0411 11.8634 32.6071 17.4312 21.5671 0.9192 24.2313 14.9161 31.9597 10.6438 33.8132 1.4176 15.8303 261.9587 3.3154 92.1456 15.0644 10.7805 0.4172 60.4656 66.1565 91.2596 127.9767 42.1328 55.4786 56.3698 12.4136 60.6676 58.3843 155.7752 64.6100 16.1569 5.9883 35.9236 39.8292 60.3289 88.1776 52.1787 71.9516 52.4998 65.8393 50.9439 40.4748 119.6438 95.9666 82.2497 34.2525 27.5929 23.9841 14.3782 96.8490 0.7444 0.7493 0.7417 0.7420 0.7474 0.7455 0.7017 0.7480 0.6128 0.3747 0.5750 0.7169 0.3613 0.7378 0.7428 0.7488 0.7441 0.7267 0.6521 0.1041 0.2465 0.7453 0.6124 0.7374 0.2609 0.2116 0.6970 0.1649 0.5461 0.6375 0.6707 0.4578 0.4527 0.7429 0.7186 0.7287 0.7390 0.7450 0.7005 0.3332 0.1725 0.4410 0.1133 0.6253 0.1942 0.6897 0.6655 0.5009 0.2337 0.3118 0.1052 0.6569 0.6088 0.6902 0.6946 0.7165 0.7403 0.7500 0.2937 0.1657 0.1305 0.6849 0.2955 0.4518 0.7471 0.0644 0.0806 0.6830 0.7188 0.3848 0.5876 0.7193 0.6939 0.3586 0.2612 0.7487 0.5754 0.7478 0.4273 0.2195 0.0687 0.6846 0.3548 0.5634 0.4898 0.4019 0.6394 0.0857 0.7497 0.7499 0.1268 0.3632 0.1747 0.3983 0.3445 0.1286 0.1672 0.7246 0.7475 0.6530 0.7154 0.3440 0.6058 0.3116 0.3396 0.2367 0.5820 0.4319 0.5349 0.6535 0.2657 0.7445 0.5015 0.6067 0.3278 0.3994 0.6221 0.6762 0.5806 0.2318 0.5950 0.4199 0.6346 0.4864 0.6012 0.7499 0.2928 0.2006 0.6883 0.7487 0.7500 0.5181 0.4312 0.6757 0.5721 0.5921 0.2659 0.6059 0.6147 0.4427 0.7302 0.6209 0.4504 0.6433 0.6508 0.2294 0.0670 0.0442 0.0428 0.0776 0.7500 0.0213 0.1125 0.7422 0.0446 0.0433 0.7451 0.7496 0.7483 0.7441 0.3565 0.2358 0.6906 0.5269 0.5668 0.3061 0.7184 0.7499 0.7500 0.1705 0.2401 0.2431 0.0912 0.0640 0.7500 0.7500 0.3028 0.8535 0.8567 0.8517 0.8519 0.8554 0.8542 0.8247 0.8558 0.7599 0.5451 0.7302 0.8351 0.5308 0.8491 0.8524 0.8563 0.8533 0.8417 0.7894 0.1886 0.3955 0.8541 0.7596 0.8488 0.4139 0.3493 0.8215 0.2831 0.7064 0.7786 0.8029 0.6281 0.6232 0.8525 0.8362 0.8431 0.8499 0.8539 0.8239 0.4998 0.2942 0.6121 0.2035 0.7695 0.3252 0.8164 0.7992 0.6674 0.3789 0.4754 0.1904 0.7929 0.7568 0.8167 0.8198 0.8348 0.8508 0.8571 0.4541 0.2843 0.2309 0.8130 0.4561 0.6224 0.8552 0.1209 0.1492 0.8117 0.8364 0.5557 0.7402 0.8367 0.8193 0.5279 0.4142 0.8563 0.7305 0.8557 0.5987 0.3600 0.1286 0.8128 0.5237 0.7207 0.6575 0.5733 0.7801 0.1578 0.8569 0.8571 0.2250 0.5328 0.2974 0.5697 0.5125 0.2279 0.2865 0.8403 0.8555 0.7900 0.8341 0.5119 0.7545 0.4751 0.5070 0.3828 0.7358 0.6032 0.6970 0.7905 0.4198 0.8535 0.6680 0.7552 0.4937 0.5708 0.7670 0.8068 0.7346 0.3763 0.7461 0.5914 0.7765 0.6545 0.7509 0.8571 0.4530 0.3342 0.8154 0.8563 0.8571 0.6826 0.6026 0.8065 0.7278 0.7438 0.4201 0.7546 0.7614 0.6137 0.8441 0.7661 0.6211 0.7829 0.7885 0.3732 0.1257 0.0847 0.0820 0.1440 0.8571 0.0417 0.2022 0.8520 0.0853 0.0831 0.8540 0.8569 0.8560 0.8533 0.5257 0.3816 0.8170 0.6902 0.7235 0.4688 0.8361 0.8571 0.8571 0.2913 0.3872 0.3911 0.1672 0.1203 0.8571 0.8571 0.4648 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 7 1 1 6 6 6 7 1 1 6 6 6 6 6 6 6 8 6 6 1 6 6 6 6 6 6 7 6 8 7 6 6 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 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 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 5172.4955 53234.8891 55857.9968 0.99997 0.00748 -0.00009 -0.00748 0.99985 -0.01553 -0.00003 0.01553 0.99988 1 0.01675 0.00163 0.00155 0.34891 0.03390 0.03231 12.36 21.47 36.83 42.66 48.62 66.81 77.05 97.30 134.54 137.51 154.99 165.65 176.27 196.39 200.02 207.60 213.83 232.32 236.86 249.35 276.66 306.66 344.90 351.75 378.32 395.18 432.49 434.94 448.15 489.44 515.90 550.93 567.54 594.04 618.92 651.35 668.86 704.24 745.75 746.92 769.02 834.26 863.17 894.69 900.97 954.70 999.05 1026.17 1043.02 1134.09 1145.71 1171.04 1176.68 1194.17 1208.73 1220.14 1255.90 1264.87 1300.71 1336.90 1339.07 1354.09 1370.09 1379.23 1390.55 1410.14 1419.20 1463.30 1492.15 1522.13 1526.00 1541.54 1549.41 1580.20 1581.41 1584.93 1605.66 1607.29 1641.88 1655.89 1660.00 1675.58 1715.45 1747.47 1752.80 1777.43 1793.23 1795.82 1818.26 1822.10 1835.35 1859.19 1861.78 1903.31 1926.93 1932.40 1957.79 1963.14 1988.41 2044.97 2051.49 2062.65 2086.81 2097.64 2097.74 2101.91 2121.57 2125.50 2134.08 2142.65 2189.03 2200.34 2211.03 2220.60 2220.76 2249.40 2262.33 2284.43 2292.85 2297.64 2298.01 2298.47 2313.35 2315.76 2344.34 2347.50 2348.13 2348.47 2359.93 2361.77 2362.74 2366.60 2368.26 2380.20 2385.97 2394.01 2423.84 2442.75 2528.74 2584.01 2595.78 2617.49 2624.10 2630.16 2844.99 4610.93 4619.58 4629.34 4638.41 4664.48 4682.27 4702.74 4704.66 4711.51 4714.27 4719.55 4724.63 4754.30 4791.02 4804.19 4806.21 4812.75 4818.30 4830.71 4833.01 4842.10 4862.88 4864.85 4866.96 4888.00 4910.65 4923.71 5254.33 5260.97 5343.61 5355.64 5894.15 0.572635 0.600936 0.601880 0.508333 -1293.054282 -1293.025981 -1293.025037 -1293.118584 3.137582D-04 MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE C[NH2+]CCC[NH2+]Cc1ccc(cc1)OC[C@H](c2ccc3c(c2)n(c(=O)n3C)C)O C40719303 RHF 6-31G(d) (6D,10F) C1 400.247441 |X|Y|Z| 168.683655 47.572987 29.707442 62.005883 18 6 7 8 15 2 1 |36.858105| |12.627747|53.358707| |9.225160|25.648603|0.500000| |9.225358|25.648350|0.328565|0.500000| |7.540124|17.271876|0.254938|0.254946|36.858105| |4.910552|10.329519|0.195767|0.195784|12.431261|36.858105| |3.778629|6.721182|0.128388|0.128431|7.574375|12.417789|36.858105| |3.004620|5.168393|0.103164|0.103219|4.947356|7.595737|12.784282|53.358707| |2.915384|5.029838|0.104431|0.099580|4.601734|6.990190|9.156156|25.660404|0.500000| |2.919639|5.039495|0.099737|0.104699|4.609655|7.008535|9.161480|25.660860|0.329803|0.500000| |2.503993|4.058881|0.080706|0.080775|3.748951|4.854541|7.422887|16.746094|0.254474|0.254490|36.858105| |2.159863|3.457214|0.069875|0.069966|3.016521|3.817669|4.953601|10.432618|0.201325|0.202165|12.773652|36.858105| |2.014010|3.194805|0.064012|0.066003|2.719577|3.368756|4.111376|7.886623|0.147578|0.177298|7.583883|13.601475|36.858105| |1.787923|2.798886|0.056636|0.058032|2.313742|2.793205|3.226952|5.779022|0.115256|0.128120|5.048401|7.906560|13.905828|36.858105| |1.690392|2.631603|0.053964|0.054049|2.154831|2.577429|2.935475|5.163675|0.108689|0.109095|4.444074|6.815100|7.921147|13.576459|36.858105| |1.772057|2.769420|0.057274|0.056100|2.291028|2.758922|3.195806|5.707265|0.125398|0.114062|5.034899|7.883559|6.858465|7.888798|13.662407|36.858105| |1.994682|3.157210|0.065047|0.063327|2.689192|3.318821|4.063347|7.752115|0.171777|0.145528|7.602639|13.720845|7.946235|6.886085|7.933816|13.772074|36.858105| |1.527923|2.351415|0.048330|0.048476|1.890916|2.215160|2.452396|4.122927|0.086815|0.087499|3.400756|4.634158|5.339012|8.263196|14.447659|7.919422|5.235431|73.516695| |1.422158|2.169043|0.044877|0.044430|1.730193|1.996983|2.187499|3.581057|0.076540|0.074278|2.918967|3.765621|3.978014|5.238886|7.961793|6.636437|4.483898|23.840510|36.858105| |1.290971|1.949196|0.040213|0.040093|1.538502|1.747988|1.888998|3.012734|0.063528|0.062978|2.417769|2.979103|3.220336|4.114861|5.249922|4.384341|3.338490|14.238113|12.540094|36.858105| |1.294186|1.957889|0.040395|0.040514|1.535449|1.747989|1.868349|2.977891|0.062722|0.063096|2.344803|2.871063|3.170144|4.080354|4.951313|4.012783|3.133884|13.347666|8.978292|17.520012|0.500000| |1.206264|1.808437|0.037485|0.037050|1.416973|1.592399|1.704515|2.670271|0.056724|0.055197|2.116463|2.525711|2.632165|3.168938|3.915413|3.602094|2.858985|9.106135|7.644588|12.540215|0.247203|36.858105| |1.155215|1.720532|0.035614|0.035075|1.351504|1.505068|1.619873|2.509525|0.053092|0.051304|2.010302|2.360862|2.417166|2.827482|3.428579|3.284540|2.678556|7.440764|5.838796|7.557019|0.156744|13.759157|36.858105| |1.088027|1.611077|0.033442|0.032775|1.257576|1.388475|1.481864|2.265025|0.048053|0.046101|1.792971|2.059194|2.079025|2.365510|2.794939|2.754620|2.323587|5.787847|4.235572|4.991157|0.116340|7.850507|13.639816|36.858105| |1.069283|1.583278|0.032986|0.032272|1.226494|1.353248|1.428144|2.175672|0.046400|0.044446|1.693942|1.932606|1.950806|2.208737|2.586242|2.550168|2.169796|5.333051|3.815374|4.450555|0.111139|6.898291|8.032054|13.881306|36.858105| |1.109538|1.651284|0.034464|0.033799|1.274940|1.415911|1.485218|2.278175|0.048775|0.046916|1.755891|2.019947|2.058877|2.360996|2.777853|2.690785|2.262370|5.859929|4.211489|5.049773|0.133223|8.002921|6.937093|7.895592|13.609690|36.858105| |1.178996|1.766264|0.036784|0.036265|1.370167|1.536328|1.619830|2.519159|0.053887|0.052254|1.951528|2.291998|2.374075|2.802338|3.370347|3.156362|2.573047|7.510471|5.676608|7.551061|0.202291|13.590532|7.889225|6.759545|7.887546|13.887815|36.858105| |1.066184|1.581351|0.033102|0.032392|1.211054|1.337522|1.387996|2.108533|0.045227|0.043447|1.602887|1.815890|1.842304|2.076485|2.389246|2.336820|2.013393|4.892640|3.330048|3.787724|0.104533|5.115716|4.643335|5.381102|8.525335|13.789476|7.579085|53.358707| |1.008870|1.487494|0.031130|0.030371|1.138301|1.247401|1.295062|1.949070|0.041709|0.039920|1.485036|1.662416|1.672221|1.857623|2.116553|2.100265|1.839489|4.240384|2.845550|3.163336|0.085228|4.158184|4.168755|5.280295|8.439068|8.434114|5.280030|18.813215|36.858105| |0.966048|1.418892|0.029731|0.028967|1.080347|1.177472|1.215186|1.814708|0.038816|0.037148|1.373191|1.520985|1.525675|1.676353|1.884646|1.878453|1.670643|3.716575|2.431181|2.650460|0.072301|3.304107|3.310144|4.025175|5.578306|5.578316|4.026940|11.265374|15.931970|73.516695| |1.011329|1.489853|0.031099|0.030339|1.147249|1.256567|1.316266|1.983604|0.042323|0.040443|1.529997|1.717825|1.722906|1.916795|2.200590|2.194094|1.912359|4.416154|3.021341|3.381773|0.087613|4.626994|5.126133|7.572697|13.793695|8.523441|5.379358|11.759924|13.841713|14.705608|53.358707| |0.959502|1.405475|0.029306|0.028542|1.082122|1.176437|1.233495|1.842321|0.039172|0.037383|1.424370|1.580438|1.575375|1.729185|1.960694|1.973707|1.750481|3.855708|2.577633|2.818611|0.072699|3.629593|4.194176|6.018339|7.542930|5.228310|3.896790|7.205144|7.665516|11.665410|17.939888|36.858105| |1.073355|1.594115|0.033440|0.032784|1.212236|1.339854|1.376261|2.086983|0.044844|0.043283|1.564599|1.764575|1.799339|2.021220|2.291821|2.224824|1.935572|4.657593|3.051635|3.403618|0.098669|4.189948|3.640302|3.898835|5.231002|7.542477|6.022065|17.965897|7.669974|11.693541|7.211184|3.869858|36.858105| |1.258016|1.889216|0.038698|0.038844|1.499204|1.690914|1.846182|2.922179|0.060544|0.061023|2.392678|2.925521|3.222891|4.100437|4.906316|4.030236|3.183992|12.277298|8.178891|13.621562|0.258451|7.818978|6.646414|4.496024|3.806822|3.993583|5.206120|4.260153|2.741569|4.164639|4.067216|2.597167|2.815403|73.516695| |17.656703|12.278028|0.223652|0.223654|5.548161|4.122354|3.219004|3.638758|0.073024|0.073132|2.248665|1.982287|1.866307|1.678318|1.594139|1.662974|1.847991|2.583730|1.358102|1.239527|0.034633|1.162576|1.111680|1.050431|1.036714|1.077823|1.142404|1.416103|0.984859|1.681380|1.338953|0.933248|1.051599|2.141093|0.500000| |17.661977|12.264821|0.220155|0.180071|6.909273|4.569183|3.685443|3.975289|0.079447|0.077109|2.473951|2.124221|1.955814|1.738514|1.658498|1.755685|1.983331|2.663616|1.403927|1.271990|0.035251|1.193807|1.148716|1.084852|1.064734|1.100451|1.165317|1.439227|1.003941|1.710069|1.372841|0.959785|1.060936|2.204338|0.298646|0.500000| |17.661949|12.264877|0.180070|0.220166|6.909345|4.569396|3.686317|3.976758|0.077033|0.079573|2.475648|2.126393|2.003665|1.772608|1.660596|1.726747|1.941526|2.670201|1.392276|1.268756|0.035339|1.181839|1.133286|1.065449|1.044248|1.081985|1.151233|1.412348|0.982215|1.670776|1.342688|0.936886|1.043044|2.211627|0.298649|0.298118|0.500000| |7.037190|12.444888|0.180679|0.220675|17.620760|8.747290|6.850504|6.221407|0.113167|0.121411|3.636363|2.913571|2.681598|2.271512|2.086494|2.187819|2.553057|3.264675|1.672334|1.497284|0.041528|1.374534|1.313812|1.220598|1.186796|1.231076|1.324091|1.589039|1.098476|1.852981|1.509938|1.048253|1.166833|2.616490|0.143950|0.173222|0.212243|0.500000| |7.036600|12.444264|0.220659|0.180677|17.620797|8.746736|6.845646|6.216272|0.121178|0.113247|3.631249|2.908180|2.571270|2.201876|2.082448|2.246985|2.649401|3.252885|1.692452|1.502582|0.041389|1.393282|1.337775|1.249711|1.216805|1.258195|1.345432|1.627203|1.128790|1.906431|1.552737|1.080272|1.191777|2.604634|0.143941|0.212219|0.173210|0.301443|0.500000| |4.573995|9.433254|0.209757|0.174563|8.827149|17.532436|8.825505|9.431708|0.207541|0.173807|4.524366|3.730847|3.236107|2.746076|2.601342|2.834439|3.391889|3.987941|2.044516|1.779013|0.049403|1.631728|1.538779|1.424626|1.395333|1.463852|1.584553|1.888371|1.292763|2.171470|1.766938|1.213003|1.393185|3.024460|0.110874|0.121698|0.112767|0.172603|0.210505|0.500000| |4.575699|9.439440|0.174688|0.209946|8.828309|17.531883|8.827255|9.442613|0.173497|0.208454|4.531732|3.740722|3.463315|2.883960|2.608660|2.717835|3.195632|4.009014|2.009075|1.770025|0.049634|1.601695|1.502485|1.381843|1.350532|1.421562|1.549916|1.829399|1.247763|2.093436|1.704567|1.168148|1.353778|3.042608|0.110921|0.112797|0.121731|0.210461|0.172611|0.301775|0.500000| |3.667415|6.219769|0.113676|0.121928|6.872178|8.758938|17.616168|12.476566|0.180380|0.219746|6.939723|4.648917|4.068362|3.162883|2.805905|2.972913|3.700497|4.198460|2.093060|1.828694|0.050288|1.643472|1.566844|1.431066|1.374090|1.424910|1.554643|1.810005|1.242910|2.073828|1.723286|1.189576|1.316622|3.218980|0.086397|0.098156|0.103896|0.203515|0.168627|0.172737|0.210614|0.500000| |3.664146|6.214180|0.121794|0.113625|6.864167|8.756593|17.615914|12.473791|0.219976|0.180406|6.922826|4.634732|3.716040|2.985600|2.798626|3.129707|4.018878|4.176581|2.134279|1.839406|0.050069|1.676615|1.608716|1.479226|1.421807|1.467996|1.590189|1.867635|1.287729|2.150168|1.788322|1.237369|1.353196|3.198846|0.086332|0.103773|0.098092|0.168546|0.203066|0.210653|0.172733|0.301921|0.500000| |2.498612|3.989709|0.077520|0.080053|3.709440|4.591723|6.976057|12.307184|0.180993|0.220947|17.628748|8.817460|7.052441|4.704264|3.954012|4.195680|5.650430|5.555822|2.672455|2.271085|0.061452|1.985086|1.894227|1.691733|1.594885|1.647807|1.827104|2.051012|1.400534|2.307800|1.965707|1.350209|1.471675|4.070843|0.062033|0.068127|0.070008|0.104461|0.098567|0.113112|0.122203|0.214619|0.174498|0.500000| |2.491095|3.977349|0.079768|0.077362|3.694898|4.575725|6.940223|12.295161|0.221570|0.180929|17.634893|8.820304|5.607157|4.190739|3.953472|4.708072|7.116610|5.526716|2.770396|2.298620|0.061217|2.050105|1.975240|1.777564|1.674911|1.719546|1.890353|2.140543|1.468604|2.418928|2.068434|1.424313|1.526223|4.042116|0.061869|0.069745|0.067959|0.098295|0.103883|0.121727|0.112946|0.173911|0.212685|0.299876|0.500000| |2.077646|3.290511|0.064914|0.068670|2.813585|3.454905|4.216438|7.698213|0.135183|0.182904|6.986139|8.835036|17.672170|9.018859|5.644409|4.941580|5.636113|7.668033|3.331721|2.832244|0.078524|2.347844|2.170033|1.887400|1.778969|1.873207|2.139373|2.303373|1.543797|2.520207|2.157656|1.457970|1.662385|5.121670|0.053315|0.055556|0.058107|0.078747|0.072783|0.089279|0.100987|0.121857|0.102811|0.210423|0.141953|0.500000| |1.690465|2.623554|0.052864|0.054851|2.139943|2.538364|2.862488|4.903219|0.096739|0.110492|4.099922|5.618326|8.917805|17.753682|8.936544|5.642709|4.962277|13.572284|4.878359|4.162301|0.118930|3.145476|2.777665|2.318429|2.171873|2.335438|2.789617|2.799918|1.833618|2.943874|2.565791|1.697541|2.014086|7.598727|0.044333|0.045436|0.046812|0.058917|0.056270|0.068842|0.073847|0.079299|0.073238|0.111226|0.096394|0.216009|0.500000| |1.673160|2.591596|0.054014|0.052249|2.118054|2.506017|2.840369|4.857250|0.108484|0.095832|4.113939|5.637807|4.949297|5.612245|8.854672|17.777148|8.962515|12.522862|7.316709|4.632207|0.113880|3.988575|3.674630|3.085650|2.845628|2.984436|3.481193|3.489971|2.305350|3.636226|3.303828|2.171606|2.404650|7.268430|0.043843|0.046320|0.045082|0.055905|0.058294|0.072487|0.068031|0.073063|0.078718|0.096969|0.112221|0.107415|0.123936|0.500000| |2.040568|3.219204|0.066912|0.063593|2.754741|3.361679|4.124903|7.480052|0.173617|0.132042|7.002495|8.884161|5.633911|4.956131|5.655625|8.989891|17.678617|7.499515|3.892994|2.980059|0.077297|2.653559|2.535492|2.245986|2.104101|2.169876|2.416975|2.652739|1.800620|2.923099|2.552112|1.731621|1.868030|5.034384|0.052352|0.057049|0.054749|0.071703|0.077056|0.097364|0.087163|0.101744|0.119227|0.143336|0.214095|0.123558|0.107643|0.218531|0.500000| |1.411303|2.143132|0.044283|0.043605|1.721409|1.974552|2.191086|3.564609|0.075963|0.072575|2.980856|3.820919|3.884949|4.871058|7.245377|6.919893|4.697909|16.453623|17.601962|8.923187|0.175575|6.828708|6.171838|4.439459|3.796023|3.934583|4.929051|4.246856|2.757910|4.200365|4.099249|2.628380|2.794228|13.467755|0.037301|0.038918|0.038409|0.046268|0.047157|0.056046|0.054563|0.058319|0.060169|0.075689|0.080211|0.090159|0.122352|0.227907|0.115851|0.500000| |1.447456|2.215476|0.046197|0.045341|1.755830|2.034564|2.199738|3.600891|0.078559|0.074473|2.855749|3.629679|3.705992|4.655763|6.841556|6.443125|4.424279|16.498042|17.587841|8.846512|0.211277|7.120198|5.342548|4.154276|3.945528|4.528254|6.101315|4.937142|3.038828|4.607797|4.296895|2.650280|3.367824|10.323411|0.038516|0.039720|0.039118|0.046733|0.047760|0.058632|0.056757|0.057718|0.059722|0.071570|0.075785|0.086510|0.118413|0.213541|0.109649|0.298700|0.500000| |1.165436|1.733695|0.035750|0.035286|1.370404|1.524151|1.656820|2.567599|0.053920|0.052307|2.090773|2.461277|2.523427|2.948726|3.560007|3.403896|2.785282|7.607628|5.771647|7.036784|0.142899|8.950186|17.735042|8.917258|5.695914|4.986710|5.628628|5.010763|3.411053|5.011919|5.604473|3.620897|3.023781|13.217676|0.031047|0.032228|0.031852|0.037143|0.037737|0.043042|0.042163|0.044745|0.045816|0.055008|0.057208|0.062888|0.080300|0.104577|0.072986|0.184828|0.137218|0.500000| |1.051655|1.550000|0.032133|0.031451|1.210992|1.328598|1.421006|2.154811|0.045554|0.043637|1.712439|1.943987|1.948911|2.184026|2.542686|2.537844|2.183442|5.124497|3.612796|4.077094|0.096455|5.606909|8.851388|17.734967|8.902274|5.611704|4.894243|5.929039|4.586244|6.558496|9.063388|6.363623|3.296748|6.942228|0.028184|0.029206|0.028640|0.032710|0.033552|0.037788|0.036595|0.038222|0.039600|0.045073|0.047502|0.049434|0.059322|0.078516|0.059205|0.108246|0.097410|0.214583|0.500000| |1.208708|1.817492|0.037893|0.037483|1.403957|1.581209|1.654589|2.582010|0.055338|0.054046|1.975026|2.323924|2.433411|2.891047|3.436381|3.155699|2.580628|7.708408|5.474912|6.982225|0.220632|8.819348|5.615110|4.892228|5.612557|8.923378|17.707479|9.102429|4.596038|6.575855|5.935891|3.298211|6.393448|8.509326|0.032607|0.033056|0.032755|0.037641|0.038096|0.045372|0.044608|0.044043|0.044795|0.051334|0.052661|0.061087|0.080742|0.094746|0.066764|0.125096|0.169657|0.123733|0.106516|0.500000| |0.927578|1.355386|0.028301|0.027534|1.038796|1.125431|1.173165|1.743089|0.037084|0.035394|1.337705|1.473616|1.467425|1.600106|1.797765|1.811781|1.622811|3.505896|2.302783|2.492133|0.065469|3.110096|3.439453|4.548701|5.663223|4.475570|3.409480|6.713703|7.507629|13.696704|12.642181|17.669738|3.806352|4.082888|0.025126|0.025776|0.025136|0.027935|0.028812|0.032278|0.031058|0.031413|0.032685|0.035263|0.037164|0.037898|0.043694|0.055026|0.044722|0.064621|0.066258|0.083908|0.129971|0.083053|0.500000| 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