Version2.0 2020-07-31T16:08:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 07-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](C(=O)c1c[nH]c2c1cccc2)N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-] C35448417 RHF 6-31G(d) (6D,7F) C[C@H](C(=O)c1c[nH]c2c1cccc2)N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-] C01[X(C21H22N4O3)] 144 C1 464 C[C@H](C(=O)c1c[nH]c2c1cccc2)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] C[C@H](C(=O)c1c[nH]c2c1cccc2)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] C[C@@H](N1CCN(CC1)c2ccc(cc2)[N+]([O-])=O)C(=O)c3c[nH]c4ccccc34 InChIKey=DNTNSDAAZIEUOF-OAHLLOKOSA-N InChI=1S/C21H22N4O3/c1-15(21(26)19-14-22-20-5-3-2-4-18(19)20)23-10-12-24(13-11-23)16-6-8-17(9-7-16)25(27)28/h2-9,14-15,22H,10-13H2,1H3/t15-/m1/s1 InChI=1/C21H22N4O3/c1-15(21(26)19-14-22-20-5-3-2-4-18(19)20)23-10-12-24(13-11-23)16-6-8-17(9-7-16)25(27)28/h2-9,14-15,22H,10-13H2,1H3/t15-/m1/s1 C[C@H](C(=O)c1c[nH]c2c1cccc2)N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-] C01[X(C21H22N4O3)] 144 C01 464 C[C@H](C(=O)c1c[nH]c2c1cccc2)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] C[C@H](C(=O)[C]1[CH]N[C]2[C]1[CH][CH][CH][CH]2)N1CC[N@](CC1)[C]1[CH][CH][C]([CH][CH]1)[N]([O])[O] C[C@@H](N1CCN(CC1)[C]2[CH][CH][C]([CH][CH]2)N([O])[O])C(=O)[C]3[CH]N[C]4[CH][CH][CH][CH][C]34 InChIKey=DNTNSDAAZIEUOF-OAHLLOKOSA-N InChI=1S/C21H22N4O3/c1-15(21(26)19-14-22-20-5-3-2-4-18(19)20)23-10-12-24(13-11-23)16-6-8-17(9-7-16)25(27)28/h2-9,14-15,22H,10-13H2,1H3/t15-/m1/s1 InChI=1/C21H22N4O3/c1-15(21(26)19-14-22-20-5-3-2-4-18(19)20)23-10-12-24(13-11-23)16-6-8-17(9-7-16)25(27)28/h2-9,14-15,22H,10-13H2,1H3/t15-/m1/s1 2410.8470916699 -1250.2972757 1-A 19823.9845 100 364 464 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.58824 -20.58797 -20.54467 -15.84419 -15.62926 -15.58265 -15.56192 -11.32944 -11.30260 -11.30108 -11.28389 -11.27460 -11.27383 -11.26569 -11.26475 -11.26457 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458.4335 465.0158 478.5528 489.0255 510.4109 530.5261 548.5984 571.9051 591.8448 598.6260 633.6198 653.3088 673.1441 692.0860 692.9816 731.0869 786.9145 819.5766 823.8129 827.6185 833.2312 847.1974 864.0520 864.8028 880.7854 929.2737 948.1204 951.5340 961.5510 965.1214 971.0383 980.0682 987.7831 1016.9906 1046.8712 1064.4669 1076.1869 1103.4967 1109.0579 1113.2509 1114.9196 1119.3467 1125.6324 1158.6830 1181.6242 1190.3732 1193.6167 1210.6282 1226.8093 1229.0208 1238.5141 1241.8648 1254.1128 1264.2209 1282.1115 1304.9681 1317.9134 1325.4584 1349.1165 1360.2954 1369.3272 1374.1265 1377.9230 1387.1628 1433.4952 1446.5079 1452.5195 1462.2671 1475.5879 1496.6307 1510.0962 1520.8621 1540.6336 1554.3029 1559.3911 1572.8838 1585.0243 1585.2601 1600.4054 1624.8410 1626.6004 1638.9987 1642.8260 1647.5507 1657.5264 1659.0983 1664.6842 1665.6735 1686.0478 1712.9982 1757.7024 1778.5890 1796.1824 1821.5516 1854.3761 1965.2231 3114.3386 3121.9683 3144.1450 3165.5363 3184.2469 3222.4215 3275.8423 3281.8699 3298.8310 3300.1527 3310.5311 3312.7449 3356.6826 3368.9457 3384.2795 3401.0239 3415.1287 3426.3452 3435.4252 3435.7780 3456.3391 3913.7523 6.6538 6.0229 4.6912 5.0777 4.6735 6.1129 4.7621 4.5039 5.1996 5.3667 6.7732 4.4590 5.8557 3.1992 3.9265 3.6149 1.8714 2.4999 2.9615 3.1043 3.1679 3.9203 3.2001 5.2336 4.6373 2.4262 1.5388 3.0888 2.3970 3.7997 4.1357 2.8604 4.8927 3.5364 4.8843 4.6044 3.3590 4.3262 2.7115 6.2105 6.9796 3.1292 3.1308 4.6230 3.7488 4.0873 4.9509 1.3596 3.8796 5.3701 2.6350 1.2836 2.0747 2.7986 2.4014 4.2353 1.4466 1.7813 2.8454 3.2463 2.6419 2.1673 1.3410 2.6586 1.3703 2.2029 1.3841 1.3093 2.1122 2.2863 1.8546 1.7740 2.2536 2.2260 1.7419 1.5145 1.5426 2.2638 2.0558 1.7501 4.0991 3.2639 1.8427 1.8508 1.1335 2.4199 2.7525 2.5376 1.6535 2.1686 1.4733 1.8130 1.5056 1.3671 1.8729 1.8504 1.5938 1.2913 1.4462 1.6616 1.3200 1.4672 2.4630 2.5878 1.6706 2.3299 7.1341 1.0948 1.0764 1.1081 1.1129 1.0848 2.7338 1.1226 2.5266 3.9647 7.3048 5.5710 5.2645 5.6458 11.8803 11.8347 1.0748 1.0752 1.0805 1.0708 1.0734 1.0363 1.0947 1.1008 1.0900 1.0935 1.1006 1.0915 1.0875 1.0927 1.0969 1.0908 1.0901 1.0945 1.0948 1.0953 1.0980 1.0815 0.0006 0.0012 0.0016 0.0049 0.0093 0.0158 0.0173 0.0233 0.0473 0.0571 0.0889 0.0738 0.1428 0.1049 0.1348 0.1372 0.0813 0.1202 0.1644 0.1812 0.2261 0.3021 0.2677 0.5746 0.5175 0.2926 0.1905 0.3935 0.3234 0.5354 0.6348 0.4743 0.8676 0.6815 1.0080 0.9722 0.7945 1.0879 0.7239 1.7526 1.9748 0.9854 1.1422 1.8296 1.4990 1.6495 2.0252 0.5749 1.7066 2.3663 1.2044 0.6531 1.0989 1.4929 1.3082 2.3243 0.8036 1.0081 1.6357 1.9782 1.7059 1.4469 0.9151 1.9074 0.9930 1.6086 1.0137 0.9665 1.5768 1.8085 1.5256 1.4810 1.8917 1.9222 1.5447 1.3478 1.3941 2.0570 1.9050 1.6480 3.9700 3.2748 1.8857 1.9158 1.2155 2.6383 3.0408 2.8231 1.8497 2.4586 1.7838 2.2351 1.8716 1.7223 2.4027 2.4420 2.1413 1.7597 2.0224 2.3651 1.8912 2.1385 3.6458 3.8316 2.5210 3.6241 11.1211 1.7328 1.7116 1.7722 1.8015 1.7593 4.4636 1.8350 4.2319 6.8544 13.2969 10.3832 10.0070 11.0372 24.0698 26.9297 6.1420 6.1745 6.2931 6.3220 6.4123 6.3400 6.9214 6.9858 6.9889 7.0169 7.1067 7.0572 7.2195 7.3068 7.4023 7.4338 7.4908 7.5709 7.6128 7.6181 7.7286 9.7603 1.1680 0.6215 0.8111 0.7422 0.9925 2.0553 4.1969 1.6550 0.2537 1.5879 0.5445 3.5968 2.6862 2.3989 14.7495 0.1725 1.9063 5.6946 4.4606 1.6081 0.1131 5.6464 10.9426 2.3645 8.1547 3.1683 98.8086 5.6021 3.7240 7.9882 4.0229 0.3007 3.0889 5.9562 8.3124 6.1545 2.7362 13.1971 5.3687 9.0390 1.0090 23.3416 11.5867 7.4311 41.0086 7.5828 3.6797 76.8860 13.0367 48.7977 16.3531 0.7526 7.7003 0.7821 29.2312 49.7723 0.2327 10.3486 32.9713 122.1905 16.8311 35.9051 2.4171 2.7164 0.3815 6.3640 0.4453 0.2135 29.4812 21.0405 28.2569 17.2370 10.3091 11.4419 92.1417 22.2708 2.9821 217.3654 2.3793 15.6893 37.4972 14.6626 28.8433 16.0920 27.5709 0.7292 0.1107 11.5263 282.7912 10.4550 11.7570 45.5911 42.4233 2.0632 7.7682 85.6761 45.3525 1.3676 25.2025 12.4120 15.1925 157.8273 90.6818 92.0604 7.4801 31.5963 702.4289 2.4868 0.7448 0.9634 7.2419 7.1793 7.5844 1.7310 43.1806 136.6529 49.8654 1.6598 236.2669 4.7856 445.7696 222.9499 19.3706 51.3966 87.6094 40.2994 54.1029 17.9598 40.9137 38.7310 40.8759 26.7999 30.1542 19.1518 0.3373 24.9738 37.8023 10.5845 7.4493 2.6498 0.2563 2.1469 1.6393 116.0332 4.1975 5.4645 12.6175 0.3961 0.9040 0.7816 2.6348 0.7746 4.7449 0.6903 1.0583 2.0749 3.1321 0.9808 1.3075 0.9588 0.8431 1.8294 1.1892 0.7228 1.1088 0.2790 2.7528 0.3418 1.2586 0.9754 2.4159 2.8208 0.1277 3.7893 1.0302 1.9903 3.2936 1.5965 1.6439 1.9223 0.1511 1.6159 1.5030 6.0010 6.9869 3.5736 2.1368 2.4151 2.7417 9.9361 15.9228 1.3351 5.8056 8.5221 29.9823 4.3062 2.8827 1.1247 9.0032 10.8589 1.3727 3.5980 0.9631 3.4595 1.2620 2.3698 0.0656 13.8727 4.1040 17.5506 0.8548 0.4413 2.9948 43.4070 8.5410 4.5234 5.6712 3.8235 3.4043 0.7363 11.0122 143.5782 32.1961 9.9392 0.8871 4.3770 5.7991 3.9076 22.6048 47.5719 6.6398 6.4118 52.6974 37.3587 8.0571 6.0183 12.7987 1.3234 23.4686 12.6048 54.0518 7.0368 5.1973 1.3735 1.3756 40.5900 38.3005 30.2868 5.2269 7.1891 501.3294 22.1099 14.8692 4.4043 2.5801 17.0255 4.5336 11.2402 23.4122 141.0593 2.5544 22.3738 381.2780 19.8153 1.0370 58.2430 6.0723 70.4496 65.5449 30.9876 51.9328 114.0709 66.5193 71.0264 84.3309 66.6117 63.2092 63.0848 57.5956 106.6781 242.4319 51.0288 38.4048 62.1014 41.6007 126.5329 63.4524 122.4690 0.7487 0.7440 0.7466 0.7484 0.5394 0.7398 0.5307 0.6519 0.7498 0.6093 0.1465 0.5684 0.3175 0.3677 0.6710 0.6394 0.6208 0.6273 0.6210 0.6165 0.3451 0.4932 0.4287 0.3175 0.5618 0.0498 0.7500 0.4157 0.6436 0.2733 0.1220 0.6930 0.7493 0.4581 0.7398 0.2339 0.6300 0.4783 0.6391 0.6994 0.7499 0.4392 0.3903 0.3048 0.7439 0.0926 0.1861 0.7481 0.4637 0.7046 0.1020 0.4853 0.4203 0.1180 0.1499 0.1282 0.7321 0.6912 0.6575 0.7095 0.6025 0.3065 0.7324 0.4498 0.7478 0.1575 0.5505 0.6298 0.3593 0.3482 0.1322 0.6652 0.1314 0.7446 0.7484 0.2673 0.3681 0.3206 0.1627 0.6464 0.7469 0.5375 0.2499 0.6964 0.2994 0.2287 0.2928 0.4840 0.2743 0.2034 0.7294 0.7382 0.5078 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0.6735 0.8532 0.5838 0.8549 0.5558 0.7197 0.2828 0.7101 0.7905 0.6064 0.8473 0.8523 0.7705 0.8223 0.4580 0.8401 0.8494 0.5811 0.8168 0.7749 0.4533 0.8269 0.4454 0.3637 0.6962 0.7706 0.6209 0.8315 0.7386 0.4577 0.8523 0.3540 0.3256 0.4308 0.4177 0.0740 0.6783 0.8014 0.7460 0.2602 0.5993 0.4529 0.7803 0.8475 0.2671 0.5034 0.7110 0.3163 0.5829 0.2610 0.4828 0.3560 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 6 6 1 6 8 6 6 7 1 6 6 6 6 6 6 7 6 6 7 6 6 6 6 6 6 6 6 7 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 3367.8557 34612.2553 35950.7272 0.99999 0.00337 0.00072 -0.00337 0.99999 -0.00348 -0.00073 0.00348 0.99999 1 0.02572 0.00250 0.00241 0.53587 0.05214 0.05020 18.47 26.64 35.15 58.31 83.78 95.34 113.12 134.74 178.69 193.42 214.80 241.07 292.68 339.34 347.27 365.20 390.80 411.08 441.68 452.84 500.76 520.37 542.13 621.09 626.16 650.95 659.58 669.05 688.53 703.60 734.37 763.31 789.31 822.84 851.53 861.29 911.64 939.97 968.50 995.76 997.05 1051.87 1132.19 1179.19 1185.28 1190.76 1198.83 1218.93 1243.18 1244.26 1267.25 1337.02 1364.13 1369.05 1383.46 1388.59 1397.11 1410.10 1421.20 1463.22 1506.21 1531.53 1548.39 1587.69 1595.69 1601.72 1604.12 1610.49 1619.53 1667.09 1700.09 1712.68 1717.35 1741.82 1765.10 1768.29 1781.95 1786.77 1804.39 1818.93 1844.67 1877.56 1896.18 1907.04 1941.08 1957.16 1970.16 1977.06 1982.52 1995.82 2062.48 2081.20 2089.85 2103.88 2123.04 2153.32 2172.69 2188.18 2216.63 2236.30 2243.62 2263.03 2280.50 2280.84 2302.63 2337.78 2340.32 2358.15 2363.66 2370.46 2384.81 2387.07 2395.11 2396.53 2425.85 2464.62 2528.94 2558.99 2584.31 2620.81 2668.03 2827.52 4480.84 4491.82 4523.72 4554.50 4581.42 4636.35 4713.21 4721.88 4746.28 4748.18 4763.12 4766.30 4829.52 4847.16 4869.22 4893.31 4913.61 4929.75 4942.81 4943.32 4972.90 5631.02 0.439915 0.462099 0.463043 0.384789 -1249.857361 -1249.835177 -1249.834233 -1249.912486 2.624618D-04 MUNgauss RevisionA2.0 retrievium 31-Jul-2020 DUDE C[C@H](C(=O)c1c[nH]c2c1cccc2)N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-] C35448417 RHF 6-31G(d) (6D,10F) C1 378.169191 |X|Y|Z| 38.235212 26.505378 132.888776 51.258033 23 6 7 20 3 |36.858105| |12.401261|36.858105| |8.879731|17.441101|0.500000| |7.767735|12.395346|0.245109|36.858105| |6.234919|8.016744|0.163976|15.912986|73.516695| |5.658989|7.356952|0.199642|12.948775|14.564520|36.858105| |5.020716|6.203624|0.202061|7.471635|9.402664|13.979952|36.858105| |3.789897|4.330023|0.133403|5.202832|7.459769|8.544305|14.067370|53.358707| |3.329284|3.707016|0.116211|4.168609|6.153657|5.988949|9.120550|26.107438|0.500000| |3.497301|3.933884|0.112708|5.134474|7.940370|8.335518|8.539186|18.803736|0.249950|36.858105| |4.141795|4.805254|0.128983|7.321234|11.520894|13.114961|8.467025|11.586612|0.165494|13.649547|36.858105| |3.557170|3.962169|0.102176|5.783285|10.931309|7.249244|5.239416|7.291591|0.118627|7.907822|13.611534|36.858105| |2.865430|3.100733|0.082227|4.099400|7.590736|5.004712|4.173880|6.331223|0.109502|6.962953|7.983270|13.850870|36.858105| |2.625991|2.827363|0.077598|3.563363|6.235450|4.541405|4.188597|7.023245|0.126333|8.068495|6.865047|7.864868|13.573795|36.858105| |2.819642|3.069387|0.086929|3.816504|6.297375|5.252745|5.302483|10.334756|0.185084|13.680509|7.783605|6.733543|7.872484|13.857621|36.858105| |7.643038|13.103001|0.252447|7.754684|12.113841|5.117726|4.430652|4.620635|0.083299|3.184766|3.812761|3.373024|2.717728|2.462168|2.604389|53.358707| |6.497734|7.810238|0.192146|5.039094|8.111613|3.840046|3.587634|3.893536|0.072566|2.644585|3.016373|2.705087|2.266572|2.097424|2.222609|17.871778|36.858105| |4.424345|5.046291|0.127087|3.894189|6.750232|3.090136|2.873547|3.258783|0.061405|2.266095|2.563798|2.380779|2.034849|1.877452|1.955880|10.582657|12.512092|36.858105| |3.678641|4.480930|0.117633|3.705799|6.452104|3.028119|2.830813|3.248257|0.061380|2.265978|2.547455|2.371866|2.039847|1.887790|1.965420|9.057801|7.794217|13.131950|53.358707| |3.860256|5.074830|0.129002|4.489096|8.018567|3.563765|3.208653|3.649972|0.067729|2.587375|2.984874|2.790731|2.354644|2.145279|2.220729|10.599340|6.735474|7.935865|17.756745|36.858105| |5.021503|7.889840|0.198464|6.536643|10.579858|4.862088|4.297587|4.603904|0.083491|3.188356|3.761071|3.343599|2.726564|2.484754|2.628515|17.845885|8.032032|6.730533|10.595795|12.545889|36.858105| |2.915971|3.374548|0.090053|2.938994|5.211804|2.498220|2.361683|2.791121|0.053394|1.965141|2.174402|2.060352|1.809996|1.684880|1.740046|6.111638|5.104842|7.790224|18.574372|7.804940|5.114249|36.858105| |2.526097|2.946397|0.080602|2.658896|4.696060|2.336210|2.236267|2.687895|0.051821|1.894924|2.068168|1.963830|1.747067|1.639815|1.694076|5.045496|3.956309|5.115018|10.729835|6.374337|4.457869|13.569699|36.858105| |2.151474|2.435300|0.066737|2.237348|3.980967|2.002636|1.927967|2.359027|0.045845|1.673378|1.807547|1.734918|1.566566|1.477577|1.517796|4.005565|3.137611|3.922707|7.041641|4.430764|3.379988|7.870545|13.869543|36.858105| |2.052627|2.260625|0.061332|2.068734|3.708473|1.844414|1.770684|2.172449|0.042259|1.546526|1.671788|1.615278|1.463296|1.377758|1.408977|3.694542|2.958251|3.772907|6.206775|3.793834|2.970417|6.846852|7.992610|13.728601|36.858105| |2.236167|2.426405|0.064928|2.183500|3.930245|1.914123|1.824945|2.219303|0.042982|1.579332|1.720761|1.662388|1.495397|1.400449|1.431267|4.035063|3.337241|4.507057|6.990295|4.015194|3.126465|7.875908|6.881971|7.916140|13.808004|36.858105| |2.669175|2.934612|0.077562|2.573460|4.620572|2.201569|2.081873|2.488755|0.047828|1.763236|1.943184|1.862632|1.651708|1.537721|1.577658|5.113783|4.386963|6.684144|10.581628|5.307945|3.927531|13.635336|7.934610|6.869644|7.981592|13.781778|36.858105| |1.777366|1.929121|0.052565|1.790515|3.215041|1.621238|1.564549|1.944494|0.038048|1.389631|1.489314|1.447818|1.326699|1.255330|1.279417|3.063174|2.420706|2.947295|4.609032|2.961913|2.430250|4.502943|5.139362|7.773384|13.153656|7.793195|5.133264|53.358707| |1.665939|1.818282|0.049911|1.705590|3.054602|1.562678|1.515318|1.897240|0.037256|1.356948|1.445193|1.405705|1.295870|1.231646|1.255451|2.849903|2.215232|2.621459|4.137928|2.748877|2.291086|3.884869|4.684618|7.069768|8.400971|5.428018|4.093838|21.686403|73.516695| |1.699530|1.814883|0.049240|1.683674|3.032401|1.524207|1.469709|1.830807|0.035854|1.310994|1.404455|1.370128|1.258798|1.190683|1.210606|2.858601|2.274216|2.755900|4.127916|2.651029|2.216098|3.883856|4.095936|5.416009|8.396903|7.073944|4.676078|21.686042|16.016424|73.516695| |17.587581|8.827895|0.174030|6.899867|11.572042|4.885422|4.146658|4.489201|0.080773|3.182013|3.837659|3.489001|2.816400|2.525448|2.635067|9.678464|6.083999|4.482408|4.958691|3.832334|4.699533|2.923725|2.500638|2.144174|2.070708|2.282019|2.730458|2.442243|2.972288|3.069299|0.500000| |17.594554|8.708084|0.216265|5.574078|8.294828|4.493523|4.317313|4.582193|0.084915|3.043167|3.438147|2.982357|2.485647|2.325900|2.510097|9.030471|6.888415|4.567153|4.995781|3.635664|4.537211|2.933076|2.521354|2.157116|2.074272|2.276271|2.719942|2.445548|2.981811|3.066687|0.299556|0.500000| |17.564060|8.814366|0.209284|7.394355|10.360952|6.227842|5.640760|5.824655|0.103450|3.925530|4.598225|3.847750|3.100333|2.869701|3.122752|7.604419|4.798426|3.544317|4.194399|3.268394|4.172182|2.521703|2.239848|1.936296|1.846313|1.987032|2.321662|2.204898|2.720674|2.759112|0.300936|0.303265|0.500000| |5.223124|6.463345|0.244383|6.394117|8.160256|8.627942|17.811781|12.344078|0.215454|5.890862|5.764896|4.074741|3.381608|3.412878|4.190172|6.263177|3.883958|3.032816|4.039220|3.269687|4.410940|2.458295|2.320161|1.991364|1.826709|1.885627|2.159469|2.189590|2.765210|2.683997|0.114980|0.131661|0.158387|0.500000| |3.704740|4.111917|0.101601|6.115480|13.325721|6.450991|4.551249|5.912453|0.099084|5.630160|8.869854|17.773799|8.910498|5.604299|4.883462|4.909705|2.848307|2.533942|3.418645|2.991852|3.535443|2.176097|2.054154|1.810388|1.692474|1.752800|1.973672|2.057082|2.596252|2.546273|0.104802|0.085143|0.108265|0.102816|0.500000| |2.586645|2.758930|0.072470|3.541102|6.791133|4.031199|3.408718|5.015649|0.089644|4.998843|5.662102|8.972134|17.718360|8.888362|5.633838|3.382873|2.098284|1.916636|2.616939|2.210317|2.494484|1.725551|1.668269|1.507960|1.415754|1.446267|1.587532|1.756152|2.241847|2.182695|0.072006|0.062901|0.076677|0.079516|0.214868|0.500000| |2.294142|2.438402|0.067101|2.969996|5.248774|3.616089|3.423520|5.628679|0.106518|5.697899|4.948042|5.627506|8.876398|17.716160|8.979188|2.945620|1.875952|1.700282|2.331342|1.927421|2.189205|1.546777|1.513401|1.376107|1.287402|1.304551|1.421012|1.607704|2.066405|1.996202|0.061732|0.057282|0.069101|0.080458|0.123780|0.215661|0.500000| |2.539795|2.734271|0.078790|3.246194|5.324894|4.291165|4.625376|9.132570|0.188325|8.824013|5.566120|4.878670|5.600091|8.894818|17.710424|3.194601|2.046056|1.810286|2.480285|2.030641|2.375385|1.627129|1.593613|1.437076|1.335213|1.351385|1.480318|1.658928|2.133017|2.051987|0.065652|0.064105|0.077843|0.107162|0.106332|0.123757|0.214747|0.500000| |5.705839|6.907331|0.201628|4.541766|7.025302|3.707681|3.658257|3.966953|0.075126|2.621693|2.904998|2.556309|2.169834|2.046176|2.201832|12.248448|17.401868|8.881060|9.475438|5.843740|7.122525|4.825712|3.923101|3.119436|2.898688|3.195088|4.080448|3.249174|3.920183|3.963375|0.138416|0.178135|0.124345|0.114801|0.073105|0.055465|0.050973|0.056947|0.500000| |7.501412|7.141153|0.170806|4.705394|7.681873|3.628280|3.392243|3.723718|0.069645|2.541415|2.889683|2.612627|2.200791|2.036527|2.150281|12.452433|17.633323|9.016071|7.731944|5.022615|5.746083|4.205419|3.327264|2.754274|2.671808|3.050552|3.897212|3.040146|3.624013|3.797668|0.203639|0.245850|0.147183|0.101515|0.076572|0.056824|0.050760|0.055091|0.301057|0.500000| |3.886083|4.181688|0.109881|3.278927|5.630645|2.707515|2.581261|2.973281|0.056790|2.054733|2.279848|2.118498|1.839370|1.716264|1.792365|7.700630|8.960109|17.600808|12.499533|5.715982|5.032919|7.263493|4.868284|3.909453|3.907325|4.831695|7.142422|4.168772|4.774942|5.161583|0.108231|0.116515|0.088675|0.076521|0.061987|0.048277|0.043500|0.046535|0.220332|0.217245|0.500000| |4.322354|4.697118|0.113078|3.818436|6.951003|2.985890|2.709109|3.107288|0.058246|2.203810|2.524674|2.397290|2.047146|1.865531|1.916880|9.476531|8.900819|17.466706|12.272519|6.996642|5.812882|6.647933|4.527083|3.638905|3.619453|4.430444|6.439470|3.910125|4.510313|4.858207|0.129710|0.120275|0.096584|0.077638|0.072123|0.054077|0.047022|0.049035|0.174240|0.221503|0.300394|0.500000| |3.260581|4.201260|0.111657|3.923028|6.986915|3.299550|3.025770|3.525133|0.066000|2.507877|2.842592|2.673200|2.293854|2.107793|2.179555|7.697398|5.021868|5.710160|12.396577|17.647921|8.946020|7.284670|7.299694|4.927534|3.951483|3.930242|4.873639|4.211252|5.225385|4.808787|0.088962|0.085743|0.079347|0.085234|0.078666|0.059996|0.052917|0.055689|0.131075|0.110080|0.127657|0.142482|0.500000| |3.767113|4.731567|0.114693|4.430624|8.513281|3.446575|3.009269|3.470201|0.064015|2.522189|2.961393|2.857808|2.404080|2.151102|2.186080|9.531940|5.853639|7.056767|12.317839|17.485095|8.907525|6.682682|5.417207|4.071070|3.643056|3.938452|5.132105|3.932367|4.732443|4.666880|0.108741|0.096543|0.088960|0.083154|0.087383|0.063488|0.053786|0.055145|0.133960|0.131268|0.143147|0.206140|0.301804|0.500000| |4.690992|7.278990|0.179453|7.647131|12.938445|5.664478|4.689697|5.056313|0.089621|3.613624|4.427493|3.957845|3.143725|2.809827|2.946964|12.466318|5.750664|5.014932|7.707865|8.996745|17.626367|4.206413|3.866110|3.047777|2.683540|2.776957|3.359951|3.054107|3.807438|3.646949|0.123830|0.112883|0.113589|0.126071|0.117487|0.079285|0.067923|0.072661|0.144235|0.127872|0.110139|0.130279|0.216886|0.219806|0.500000| |4.585947|6.969236|0.209535|5.623058|8.557753|4.669779|4.476154|4.780418|0.088298|3.186217|3.599416|3.111440|2.590181|2.425182|2.621523|12.265380|7.147219|5.859961|9.491382|8.892251|17.401361|4.842043|4.449365|3.375380|2.913200|3.001926|3.689256|3.264447|4.063291|3.862980|0.113859|0.120323|0.109208|0.134191|0.088373|0.065318|0.059568|0.066781|0.211628|0.144416|0.132013|0.133620|0.218425|0.174207|0.300463|0.500000| |2.567435|3.075090|0.085558|2.805935|4.896358|2.496342|2.405207|2.889608|0.055720|2.027745|2.204409|2.075548|1.844087|1.738007|1.805873|5.196466|3.912367|4.690574|9.843153|6.766881|4.886255|8.870436|17.761168|9.013219|5.683162|4.960812|5.642362|5.683749|7.185192|6.056877|0.069572|0.070551|0.063687|0.069381|0.059855|0.048629|0.044430|0.047197|0.110276|0.090033|0.120379|0.113724|0.246886|0.150102|0.119015|0.141416|0.500000| |1.972334|2.232147|0.061744|2.082538|3.696609|1.896555|1.838523|2.274556|0.044436|1.615712|1.729800|1.663138|1.514937|1.437274|1.476106|3.581467|2.748999|3.279992|5.704602|3.818709|3.042230|5.613178|8.942130|17.783044|8.926345|5.648250|4.955521|9.760092|14.117384|8.813975|0.054317|0.054751|0.049894|0.052621|0.047916|0.040566|0.037342|0.038996|0.076807|0.067594|0.090347|0.084952|0.121216|0.097784|0.077984|0.085724|0.216699|0.500000| |2.091653|2.220840|0.059268|2.008460|3.628840|1.769400|1.688204|2.065395|0.040096|1.474290|1.601916|1.555565|1.406954|1.318717|1.343501|3.620731|2.994845|3.919888|5.658604|3.371237|2.731893|5.618681|4.961720|5.645640|8.955176|17.781216|8.918941|9.784125|8.829611|14.134184|0.059730|0.059400|0.051937|0.048354|0.045579|0.037951|0.034249|0.035309|0.079392|0.078306|0.118777|0.110350|0.090629|0.093801|0.068276|0.072712|0.107743|0.124443|0.500000| 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