Version2.4 2021-06-01T05:55:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 29-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)c2c(nc3n2cccc3)C)c4cccc(c4)Br C08826889 RHF 6-31G(d) (6D,7F) CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)c2c(nc3n2cccc3)C)c4cccc(c4)Br C01[X(C25H28Br1N4O3)] 177 C1 566 CC[NH+](CCN1[C@@H](c2cccc(c2)Br)C(=C(C1=O)O)C(=O)c1c(C)nc2n1cccc2)CC CC[NH+](CCN1[C@@H](c2cccc(c2)Br)C(=C(C1=O)O)C(=O)c1c(C)nc2n1cccc2)CC CC[NH+](CC)CCN1[C@@H](c2cccc(Br)c2)C(=C(O)C1=O)C(=O)c3n4ccccc4nc3C InChIKey=UUIYZRDDLUNRFU-QFIPXVFZSA-O InChI=1S/C25H27BrN4O3/c1-4-28(5-2)13-14-30-22(17-9-8-10-18(26)15-17)20(24(32)25(30)33)23(31)21-16(3)27-19-11-6-7-12-29(19)21/h6-12,15,22,32H,4-5,13-14H2,1-3H3/p+1/t22-/m0/s1 InChI=1/C25H27BrN4O3/c1-4-28(5-2)13-14-30-22(17-9-8-10-18(26)15-17)20(24(32)25(30)33)23(31)21-16(3)27-19-11-6-7-12-29(19)21/h6-12,15,22,32H,4-5,13-14H2,1-3H3/p+1/t22-/m0/s1/fC25H28BrN4O3/h28H/q+1 CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)c2c(nc3n2cccc3)C)c4cccc(c4)Br C01[X(C25H28Br1N4O3)] 177 C01 566 CC[NH+](CCN1[C@@H](c2cccc(c2)Br)C(=C(C1=O)O)C(=O)c1c(C)nc2n1cccc2)CC CC[NH](CCN1[C]([O])C(=C([C@@H]1[C]1[CH][CH][CH][C]([CH]1)Br)[C]([C]1[C]([N][C]2[CH]=[CH][CH]=CN12)C)=O)O)CC CC[NH](CC)CCN1[C]([O])C(=C([C@@H]1[C]2[CH][CH][CH][C](Br)[CH]2)C(=O)[C]3[C](C)[N][C]4C=CC=CN34)O InChIKey=ASCURFWORSRJBQ-QFIPXVFZSA-N InChI=1S/C25H28BrN4O3/c1-4-28(5-2)13-14-30-22(17-9-8-10-18(26)15-17)20(24(32)25(30)33)23(31)21-16(3)27-19-11-6-7-12-29(19)21/h6-12,15,22,28,32H,4-5,13-14H2,1-3H3/t22-/m0/s1 InChI=1/C25H28BrN4O3/c1-4-28(5-2)13-14-30-22(17-9-8-10-18(26)15-17)20(24(32)25(30)33)23(31)21-16(3)27-19-11-6-7-12-29(19)21/h6-12,15,22,28,32H,4-5,13-14H2,1-3H3/t22-/m0/s1 3953.5566445486 -3975.1030801 1-A 19893.1230 132 434 566 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4.2169 6.0436 6.0797 5.6600 6.2830 5.2616 5.2968 4.7590 2.6411 2.0860 5.5516 2.6632 2.5501 2.4710 1.3455 2.1880 1.6250 2.0473 3.3614 3.7835 2.9768 4.3192 1.4784 2.2179 4.4035 1.6092 2.7177 1.3984 3.0119 5.6896 2.7326 1.8901 1.4152 2.7918 2.6587 1.3636 1.3197 2.1652 1.9844 1.5485 1.9326 1.9648 2.4331 2.9147 3.0609 2.4912 1.6285 1.7585 2.0343 2.1557 2.1392 1.9164 1.3645 2.1809 2.2646 2.4198 1.9328 1.5297 1.2504 2.3759 1.2115 1.3447 1.2461 2.4013 1.6247 1.5517 2.4755 1.5370 1.3191 2.1054 1.6874 1.5957 1.5468 1.7452 1.2431 1.2418 2.3641 2.1532 1.4057 1.0895 1.0791 1.1221 1.1526 1.0702 1.1170 1.3932 2.2118 1.4318 1.0934 1.0827 4.1913 1.2076 1.1747 4.2365 5.9962 5.3530 5.5003 5.8500 11.4643 10.2426 9.1881 1.0390 1.0365 1.0368 1.0854 1.0690 1.0658 1.0667 1.0688 1.1011 1.1049 1.1041 1.1023 1.1023 1.0990 1.1020 1.1061 1.1044 1.1045 1.0907 1.0934 1.0909 1.0926 1.0942 1.0964 1.0975 1.0829 1.0967 1.0666 0.0007 0.0010 0.0014 0.0020 0.0023 0.0050 0.0083 0.0163 0.0117 0.0142 0.0291 0.0238 0.0328 0.0419 0.0635 0.0514 0.0880 0.0213 0.0918 0.1340 0.0686 0.0393 0.0615 0.1665 0.1275 0.3247 0.1995 0.2954 0.1330 0.1436 0.3411 0.4565 0.2184 0.3616 0.3524 0.1148 0.4611 0.6584 0.7418 0.3838 0.4214 0.4751 0.4730 0.8717 0.5800 1.0778 1.2236 0.9542 0.9535 1.5332 1.7050 1.6262 1.9315 1.6553 1.6965 1.6168 0.9565 0.8157 2.2236 1.1270 1.0925 1.0744 0.5944 0.9821 0.7678 0.9942 1.6749 1.9907 1.6149 2.3661 0.8229 1.2488 2.5488 1.0033 1.7065 0.9092 2.0666 3.9511 1.9082 1.3609 1.0208 2.0172 1.9598 1.0258 0.9965 1.6602 1.5985 1.2517 1.5901 1.6260 2.0613 2.5164 2.7161 2.2158 1.4856 1.6056 1.9199 2.0642 2.1714 1.9506 1.4020 2.2527 2.3509 2.6333 2.1398 1.7816 1.4729 2.8377 1.4518 1.6448 1.5464 3.0621 2.1001 2.0292 3.2814 2.0851 1.8135 2.9027 2.3622 2.2536 2.2318 2.5446 1.8368 1.8355 3.5559 3.3072 2.1699 1.6967 1.6893 1.7577 1.8156 1.6888 1.7698 2.2112 3.5398 2.2977 1.7673 1.7561 6.8231 1.9740 1.9442 7.1158 10.7149 9.9931 10.4836 11.8095 24.0598 21.5983 20.2742 6.3650 6.3709 6.3732 6.6744 6.6507 6.7273 6.7388 6.7754 7.0036 7.0860 7.0956 7.1043 7.1096 7.1448 7.1695 7.2647 7.2950 7.3116 7.2688 7.4023 7.3913 7.4170 7.5066 7.5236 7.5834 7.7004 7.9174 10.2894 1.8818 0.8568 0.7541 1.3859 0.4100 0.6336 2.2330 1.7898 1.7023 1.5454 2.5033 1.2662 1.0276 6.6075 1.3565 1.5793 1.8633 0.5871 0.4622 1.0416 0.8507 0.1264 1.2450 5.5260 5.6008 5.7233 12.7760 3.9416 1.9759 1.0627 28.1221 4.4091 11.7246 24.1462 10.2138 109.3294 1.1533 4.0006 0.4684 0.6262 8.1571 3.0827 5.9752 0.3940 4.0998 18.2360 6.0570 0.8024 0.5736 8.8693 17.1502 29.7450 10.7265 1.0086 7.9880 9.4459 49.7993 7.7805 67.3263 25.9928 16.7273 2.8266 6.7707 59.9306 3.2963 17.5539 27.2284 8.3446 8.7462 7.0943 4.1520 8.7428 15.3685 10.2528 5.0887 1.3782 173.3871 4.8657 26.2785 103.7371 17.5909 28.2326 18.8094 0.4662 0.3016 3.4169 6.2440 2.1368 29.4514 4.2205 21.0138 26.1903 5.6451 35.9768 122.9735 5.3181 2.7854 43.6173 3.3777 0.3378 16.9977 46.8168 169.8953 271.6598 7.6104 109.9233 31.6431 11.5873 2.7155 22.2704 8.3503 95.0597 133.4434 16.5486 141.2446 80.8880 11.0704 240.9297 204.3917 99.7707 158.1565 166.2272 20.6545 18.0963 25.1592 0.8672 4.2996 37.3321 12.7111 10.9673 24.2548 31.6991 14.7076 20.1322 31.0386 39.5463 12.8644 13.9917 10.1581 43.1706 172.7436 157.9359 37.5538 25.2485 14.3179 81.2363 307.3231 929.1524 40.0246 35.9338 5.3887 8.1833 12.9603 13.0818 2.5760 2.4027 29.9315 20.4986 12.4808 4.5361 10.8037 14.0823 1.5866 11.8007 15.0439 11.0653 14.6667 7.5705 9.3122 6.4331 2.0921 3.3620 2.6038 2.2183 564.8151 12.8484 205.7501 4.0670 2.5066 1.8055 2.8604 2.7515 2.1589 1.1366 1.8755 0.2098 0.1732 2.3142 1.7112 0.3357 0.3681 1.5172 1.7647 0.8270 1.7757 1.3793 1.2032 1.4488 0.1297 2.8329 3.8201 0.8445 0.4132 1.6325 3.1449 0.2035 0.3903 1.7029 2.2373 0.8711 1.1127 2.4405 1.7773 1.7460 0.4924 3.9769 3.1261 1.1818 0.6116 1.2263 11.9295 2.2254 0.8661 0.7567 0.9943 0.1246 10.6308 4.7285 12.3174 9.6603 0.7367 1.6648 11.1558 5.7012 9.1927 0.7451 1.7618 1.9306 2.4602 1.4888 1.5768 1.5686 2.9345 5.3265 6.6735 2.3732 7.1421 2.2468 4.5847 1.4815 1.9042 7.8885 0.2393 8.2881 34.9850 5.3642 17.8993 5.9043 2.9492 11.0786 0.2436 0.4391 29.5802 2.0386 1.5453 2.3241 7.9585 1.1207 3.1064 14.6124 37.8932 30.9451 26.6807 12.0003 16.8980 18.9839 12.8995 17.0484 20.9625 117.4635 237.8806 4.4175 11.5881 8.3499 116.2598 18.7922 4.5124 4.5833 22.4788 20.8413 8.0576 14.2370 3.5041 11.5628 60.5758 3.0334 5.0330 49.9929 12.0696 5.7091 3.8423 1.9449 8.6669 4.7724 16.4135 8.4965 46.2239 17.5430 15.3942 9.1964 55.3736 2.2280 37.8152 26.0198 4.2528 81.5960 2.6425 3.8643 20.6673 12.4085 11.6048 26.6513 74.2539 156.7543 25.7173 215.6661 106.8249 171.5953 37.2292 44.1119 44.9130 13.8953 17.2588 225.2489 46.2005 55.7629 42.8601 88.9673 100.0551 44.7818 79.3555 38.6215 36.1622 18.8303 47.3261 106.8699 95.8561 31.8685 142.2307 151.4669 177.5929 82.3417 31.7069 72.2182 0.7467 0.7497 0.7498 0.7477 0.7375 0.7499 0.7030 0.6833 0.6271 0.5938 0.7347 0.7049 0.4927 0.7500 0.6614 0.6695 0.5024 0.7431 0.5520 0.7255 0.7442 0.6745 0.6936 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0.7780 0.6833 0.6328 0.5015 0.7105 0.8097 0.4109 0.8410 0.6354 0.7376 0.8423 0.8105 0.7681 0.5975 0.4178 0.8165 0.3109 0.0476 0.0425 0.1719 0.3602 0.2426 0.7790 0.6099 0.2450 0.8294 0.8557 0.7892 0.6638 0.6706 0.5381 0.7476 0.7261 0.6958 0.8299 0.6915 0.5330 0.7236 0.4125 0.5328 0.3259 0.2976 0.4309 0.2671 0.4079 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 6 6 7 1 6 6 6 6 7 6 1 6 6 6 8 8 6 8 6 6 7 6 7 6 6 6 6 6 6 6 6 6 6 6 35 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 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 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 15839.2185 23220.4045 34870.2771 0.99468 0.10295 0.00358 -0.10287 0.99454 -0.01757 -0.00537 0.01710 0.99984 1 0.00547 0.00373 0.00248 0.11394 0.07772 0.05176 18.36 22.74 26.72 38.07 46.01 62.18 83.07 91.76 116.76 137.18 140.78 157.10 168.85 205.28 210.16 220.56 247.88 256.01 262.36 284.73 304.32 325.72 353.54 368.60 389.62 429.70 445.61 455.70 460.91 475.99 487.21 494.63 499.78 510.61 535.30 586.13 613.90 644.86 690.89 698.42 709.04 711.10 712.59 788.15 793.30 827.80 868.18 884.81 891.33 944.09 992.63 1004.72 1039.29 1051.36 1060.80 1092.56 1128.01 1172.13 1186.29 1219.35 1226.88 1236.02 1245.83 1255.77 1288.46 1306.21 1323.14 1359.64 1380.61 1387.33 1398.39 1406.50 1426.07 1480.04 1485.31 1511.40 1552.68 1562.02 1566.36 1590.51 1591.98 1593.31 1609.29 1625.77 1628.79 1641.35 1682.32 1685.22 1700.22 1705.19 1725.24 1741.65 1765.72 1767.80 1790.31 1791.11 1820.98 1834.24 1888.46 1891.07 1899.98 1905.03 1909.82 1955.36 1972.24 2022.89 2034.39 2048.52 2051.87 2073.02 2088.09 2116.69 2131.08 2143.48 2158.06 2183.15 2197.79 2200.88 2217.79 2227.55 2251.51 2263.36 2278.43 2278.86 2298.87 2323.01 2328.88 2339.12 2345.27 2346.04 2352.58 2354.61 2359.42 2361.46 2371.28 2374.52 2383.03 2387.19 2391.58 2396.55 2411.46 2429.27 2505.67 2561.07 2587.80 2663.22 2715.45 2721.90 2784.37 4639.36 4647.17 4647.36 4648.08 4675.40 4709.30 4711.31 4719.40 4727.43 4746.76 4751.80 4758.50 4760.36 4779.37 4781.05 4803.74 4817.42 4822.61 4839.00 4877.15 4878.97 4883.63 4909.60 4910.10 4927.15 4998.37 5036.40 5821.80 0.540015 0.569559 0.570504 0.475029 -3974.563065 -3974.533521 -3974.532577 -3974.628051 3.202214D-04 MUNgauss RevisionA2.1 retrievium 01-Jun-2021 DUDE CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)c2c(nc3n2cccc3)C)c4cccc(c4)Br C08826889 RHF 6-31G(d) (6D,10F) C1 511.134477 |X|Y|Z| 106.975063 84.576449 36.011033 68.810682 21 6 7 18 3 |36.858105| |12.516624|36.858105| |7.570430|12.652514|53.358707| |7.465921|9.284538|25.430201|0.500000| |5.980581|7.645966|17.231037|0.256382|36.858105| |4.427037|4.995511|10.288847|0.206079|12.517241|36.858105| |5.006581|7.652412|17.261803|0.259869|7.655703|5.992022|36.858105| |4.398442|5.914578|10.194694|0.207104|4.979692|4.428427|12.446979|36.858105| |3.799830|4.541713|8.019291|0.187437|4.400000|4.406860|7.597253|13.135552|53.358707| |2.943530|3.387217|5.565020|0.123644|3.367273|3.482489|5.112379|7.390529|17.584961|36.858105| |2.722740|3.172410|5.288023|0.113189|3.341644|3.523049|5.020643|6.455486|12.407255|17.553593|0.500000| |2.736450|2.981806|4.841959|0.111880|3.056174|3.303695|4.009569|5.106517|11.155085|12.538153|0.247112|36.858105| |3.128619|3.312515|5.467205|0.134134|3.414547|3.750739|4.222249|5.188510|11.401306|8.199569|0.174219|14.408727|36.858105| |4.044941|4.451850|7.837421|0.208912|4.440547|4.673917|5.997120|7.754870|19.379195|8.203275|0.174311|8.331388|12.904106|36.858105| |5.091599|5.270417|9.347124|0.293962|5.159886|5.306598|5.933039|6.590928|11.332522|5.434386|0.127082|5.527185|7.956708|15.650842|73.516695| |2.922544|2.949860|4.723031|0.115731|3.085623|3.455466|3.437533|3.930432|7.366339|5.242166|0.123363|7.926532|14.336199|7.821548|11.862679|73.516695| |2.255265|2.414913|3.785950|0.084985|2.482571|2.685826|3.083705|3.717761|6.867697|7.206036|0.178471|12.653947|7.479273|5.061479|6.944087|10.858345|36.858105| |2.116140|2.260255|3.442599|0.076257|2.241196|2.361886|2.809546|3.434574|5.977236|6.168035|0.150718|8.228621|5.643015|4.259614|6.053501|8.547775|15.807015|73.516695| |2.051853|2.174244|3.421726|0.076229|2.329703|2.591363|2.730986|3.101788|5.458479|5.104324|0.140712|7.501753|5.804865|4.147896|6.042899|9.737902|13.257086|14.513795|36.858105| |2.054752|2.173342|3.480576|0.077398|2.443281|2.815873|2.740421|2.974914|5.151208|4.460721|0.129041|6.018823|5.304493|3.995350|6.008246|9.334322|7.305840|9.232131|13.657536|36.858105| |1.810991|1.896973|2.980602|0.065415|2.129251|2.437451|2.318103|2.468695|4.078440|3.430977|0.099558|4.281963|3.918142|3.137485|4.915309|7.176177|5.199408|7.444488|8.473100|14.355231|53.358707| |1.691762|1.766770|2.725325|0.059602|1.921003|2.144046|2.127327|2.306541|3.769707|3.239448|0.092321|4.024034|3.581209|2.864403|4.481283|6.531748|5.318018|8.143053|8.620573|8.964900|19.544651|36.858105| |1.789198|1.877313|2.887489|0.063486|1.989887|2.187092|2.280322|2.549055|4.250525|3.820738|0.106237|4.959532|4.151369|3.200970|4.874335|7.344741|7.671469|11.849019|13.565890|8.635372|11.669483|14.049949|53.358707| |1.663476|1.738338|2.620901|0.057248|1.794014|1.931688|2.067799|2.330844|3.785419|3.384468|0.092457|4.167029|3.525246|2.814491|4.343045|6.217540|6.188293|11.710752|7.531660|5.350923|7.378502|7.995550|18.949338|36.858105| |1.492781|1.550375|2.315554|0.050199|1.604612|1.724463|1.810411|2.003147|3.168214|2.737707|0.075656|3.227698|2.847885|2.358145|3.729466|5.115696|4.313285|8.041150|5.142813|4.248555|6.386446|6.937715|11.060393|14.121009|36.858105| |1.429217|1.480320|2.220182|0.048003|1.562367|1.697634|1.723236|1.868997|2.936214|2.481537|0.069676|2.900679|2.625133|2.200894|3.526688|4.787913|3.689458|6.467822|4.632146|4.267433|7.113603|8.008902|9.488474|7.930669|13.400522|36.858105| |1.505725|1.562385|2.373338|0.051458|1.685025|1.860811|1.838981|1.974482|3.134597|2.635720|0.074927|3.126624|2.850246|2.368606|3.789716|5.238770|3.931985|6.480601|5.358177|5.428376|10.512719|13.484810|10.826352|6.845192|7.912125|14.064833|36.858105| |2.297411|2.448657|4.063722|0.090954|2.917131|3.535084|3.174424|3.316000|5.792884|4.649597|0.137807|5.891269|5.741356|4.592986|6.984085|9.880179|5.658365|7.434617|7.249962|12.694004|10.670265|5.376373|7.029834|3.793531|3.183395|3.219783|3.919768|36.858105| |2.706052|3.096705|4.725698|0.101717|2.853904|2.828377|4.283077|6.272856|10.418457|12.527745|0.248599|7.391578|5.515872|5.564776|7.510962|7.222356|5.891844|10.974236|4.189575|3.535355|3.934110|2.858285|4.652175|3.239592|2.650327|2.345919|2.409424|3.477603|36.858105| |2.370055|2.727936|4.095643|0.085126|2.559652|2.527301|3.749278|4.981626|7.279933|7.576431|0.206875|5.223160|4.061771|4.086199|5.890776|5.706863|4.785810|9.201189|3.700195|3.180584|3.661285|2.691992|4.314947|3.069648|2.566519|2.277149|2.316064|3.092650|13.770730|36.858105| |2.164510|2.454081|3.541904|0.073017|2.234723|2.174100|3.130066|3.983839|5.490256|5.017591|0.134133|3.946247|3.266780|3.291502|4.973483|4.822008|3.802076|7.640942|3.058757|2.645851|3.148663|2.358390|3.744511|2.767884|2.375395|2.095315|2.087608|2.544076|7.922269|13.714165|36.858105| |2.196597|2.443903|3.431615|0.071476|2.142244|2.062796|2.932867|3.759190|5.140443|4.425796|0.111313|3.685665|3.174167|3.207228|4.940264|4.774564|3.533023|7.250918|2.828218|2.437052|2.918595|2.200584|3.499345|2.630195|2.271901|1.991367|1.965259|2.338243|6.842912|7.930192|13.801953|36.858105| |2.460236|2.703926|3.785831|0.080669|2.310088|2.220789|3.176560|4.247065|5.981285|5.024046|0.117049|4.269038|3.751102|3.802727|5.800545|5.573877|3.924971|8.051868|3.035036|2.590147|3.054983|2.291133|3.676857|2.737565|2.331021|2.038192|2.022950|2.496151|7.960340|6.916364|7.988043|13.729286|36.858105| |2.770109|3.075894|4.471782|0.097687|2.667403|2.594664|3.812867|5.490219|8.497254|7.530975|0.155600|6.025448|5.115036|5.193456|7.407209|7.080919|5.028989|9.940715|3.653761|3.080476|3.512585|2.591641|4.210236|3.028919|2.511551|2.204436|2.228021|3.001505|13.695041|7.947118|6.877266|7.909373|13.832115|36.858105| |2.355534|2.482382|3.339717|0.071527|2.062248|1.967167|2.651010|3.335369|4.602723|3.556503|0.084988|3.303907|3.124712|3.168543|5.133750|4.947535|3.103452|6.248445|2.521288|2.193390|2.647573|1.995967|3.145477|2.379026|2.081808|1.831311|1.799911|2.116895|4.601713|4.098642|4.608959|6.695650|10.060403|6.718544|2539.412838| |17.587092|8.943222|7.546747|0.148554|4.623305|3.569942|4.165442|3.807413|4.460965|2.632642|0.067820|2.445755|2.739137|3.411046|7.262321|4.580629|2.057390|3.483101|1.872001|1.860016|2.253724|1.561769|2.250100|1.553658|1.402754|1.340515|1.402203|2.045411|2.495820|2.217882|2.066424|2.121802|2.364859|2.595776|78.949580|0.500000| |17.594624|8.723886|9.154784|0.183494|6.421092|4.778234|4.448079|3.779602|4.617760|2.687887|0.070245|2.546670|2.917783|3.663848|8.182427|4.955249|2.125729|3.519814|1.970483|2.003856|2.422843|1.651186|2.349278|1.596963|1.441861|1.392453|1.474554|2.264033|2.437663|2.160270|1.970113|1.980752|2.191319|2.458148|71.281050|0.302997|0.500000| |17.578680|8.809746|9.349818|0.220601|5.242229|4.267109|4.780995|4.546348|5.618776|3.159001|0.079236|3.004183|3.542194|4.646517|11.062999|5.946994|2.446348|4.070790|2.205343|2.191916|2.610534|1.795063|2.601676|1.775773|1.584288|1.509886|1.589694|2.439238|2.884952|2.466906|2.242949|2.300326|2.632785|3.011967|86.612305|0.301826|0.300507|0.500000| |8.755414|17.608748|12.388769|0.182114|7.404452|4.681144|6.649153|4.923634|5.206562|2.994967|0.080067|2.632147|2.852770|3.660272|7.364061|4.560281|2.182346|3.649560|1.990751|2.002821|2.407248|1.648220|2.365178|1.613962|1.451015|1.392437|1.468714|2.252243|2.775683|2.523407|2.296205|2.265833|2.447447|2.721458|76.557010|0.211366|0.208423|0.172249|0.500000| |8.888983|17.654317|12.362755|0.212026|5.639024|4.139147|7.578231|6.848408|6.625330|3.627425|0.092556|3.104641|3.383436|4.553613|9.107194|5.248984|2.506594|4.233728|2.212383|2.169542|2.569658|1.777514|2.601967|1.786076|1.586156|1.500415|1.571773|2.398601|3.444143|3.011984|2.733159|2.758889|3.086615|3.495886|96.154136|0.216625|0.172818|0.212155|0.302738|0.500000| |6.952854|7.579330|12.392550|0.210668|17.666498|8.886297|5.646973|4.125433|5.044622|2.916241|0.079316|2.714523|3.058948|3.864682|8.232823|5.073719|2.247786|3.643615|2.120812|2.216876|2.665643|1.779048|2.499213|1.668704|1.503848|1.467150|1.575697|2.603729|2.536314|2.281694|2.029994|1.974462|2.135967|2.429779|66.527425|0.146510|0.239926|0.159186|0.210917|0.148614|0.500000| |4.972285|6.662231|12.394464|0.181706|17.607954|8.762137|7.396650|4.664655|5.410459|3.161018|0.089324|2.806353|3.023249|3.801262|7.394867|4.824750|2.323529|3.765761|2.187695|2.289301|2.742180|1.826236|2.568342|1.710495|1.537821|1.499403|1.612556|2.702050|2.737176|2.523145|2.216854|2.102957|2.225842|2.529422|67.194524|0.114611|0.144453|0.119036|0.206859|0.144884|0.302801|0.500000| |4.564836|4.760392|9.327102|0.218511|8.804636|17.583969|5.252538|4.268362|6.120167|3.531273|0.096352|3.505081|4.183718|5.204472|11.266006|7.097360|2.824210|4.375242|2.730939|2.977246|3.484187|2.243229|3.117268|2.013198|1.791182|1.762567|1.936940|3.763792|2.842151|2.487640|2.143345|2.058337|2.249883|2.652300|68.581184|0.100852|0.137841|0.129091|0.118091|0.111153|0.211966|0.172268|0.500000| |3.832061|4.161011|7.542523|0.147806|8.945868|17.587872|4.629433|3.570869|4.820519|2.945112|0.083739|2.833361|3.153327|3.718741|7.346250|5.311422|2.384982|3.760433|2.346509|2.576009|3.108928|2.007858|2.747114|1.789420|1.616809|1.607073|1.764401|3.202990|2.454738|2.239029|1.954320|1.854847|1.974931|2.265001|60.212903|0.088850|0.118660|0.101012|0.113688|0.096905|0.216496|0.211672|0.301828|0.500000| |3.798459|4.439911|9.137209|0.182985|8.721469|17.588491|6.433414|4.790585|6.710525|3.956116|0.115328|3.685702|4.064306|4.987800|9.235014|6.431890|2.967338|4.570306|2.875561|3.166651|3.672082|2.343429|3.253135|2.085053|1.848146|1.820229|2.009723|4.104013|3.105064|2.788970|2.349859|2.188371|2.335673|2.757209|68.762715|0.087557|0.108697|0.103557|0.115938|0.107954|0.172770|0.208478|0.300728|0.302999|0.500000| |4.137579|5.639327|12.323009|0.210291|7.575515|6.932080|17.666630|8.870600|9.791710|5.221270|0.153442|4.141245|4.275967|5.750343|9.681482|6.188280|3.203781|5.076679|2.903565|2.988552|3.419325|2.266216|3.269493|2.143877|1.876064|1.801496|1.944640|3.577065|4.133884|3.704673|3.030280|2.768001|2.940984|3.529927|82.776603|0.096885|0.107913|0.111124|0.145077|0.148548|0.148588|0.211683|0.158451|0.146405|0.238972|0.500000| |4.709539|7.473745|12.423574|0.183527|6.606668|4.939910|17.609633|8.839146|7.620446|4.246881|0.118332|3.363357|3.446273|4.537032|8.033732|5.135335|2.703830|4.479501|2.415227|2.412382|2.833455|1.930651|2.805345|1.894355|1.676151|1.596932|1.691851|2.735319|3.835811|3.534520|3.050765|2.856392|3.015658|3.466194|86.581913|0.114327|0.116233|0.119072|0.207207|0.214575|0.144198|0.203596|0.118620|0.113838|0.143388|0.302185|0.500000| |3.641142|4.770686|7.582600|0.147464|4.147831|3.750978|9.001785|17.639497|12.661228|7.336280|0.191933|4.747727|4.448051|5.777151|8.650904|6.098754|3.639632|6.139594|3.025924|2.864283|3.268493|2.270025|3.431238|2.331442|2.007218|1.863522|1.954798|3.115415|7.107706|6.132835|4.774107|4.293024|4.609784|5.751772|116.577367|0.091127|0.088647|0.102317|0.118536|0.154185|0.097159|0.114014|0.098615|0.087354|0.114749|0.207908|0.226176|0.500000| |4.952046|6.557501|9.523139|0.199024|4.548061|3.912330|8.770904|17.576006|12.429495|5.947672|0.139036|4.522332|4.754630|6.927368|11.520349|6.675248|3.403909|5.754148|2.830924|2.680624|3.074861|2.140135|3.228839|2.207572|1.909202|1.772437|1.853251|2.919586|5.704724|4.504389|3.841384|3.846355|4.535147|5.724939|126.650151|0.121323|0.112141|0.145717|0.144084|0.240642|0.110631|0.116775|0.107702|0.089533|0.111555|0.173733|0.204194|0.305237|0.500000| |3.241024|3.174069|5.057392|0.127630|3.300598|3.685546|3.507832|3.906361|6.985983|4.578247|0.108999|6.052041|10.126400|7.821166|14.002857|35.576934|4.722340|7.006980|4.314696|4.279367|4.703614|3.145094|4.676058|2.986644|2.529378|2.394073|2.603088|4.717362|3.656903|2.926006|2.513609|2.515902|2.942807|3.670874|91.376737|0.078421|0.086297|0.105587|0.075684|0.087006|0.086173|0.078967|0.122536|0.088008|0.103591|0.097024|0.081598|0.092558|0.106066|0.500000| |1.720971|1.802916|2.699731|0.059026|1.821111|1.935191|2.143370|2.466288|4.011422|3.658687|0.097475|4.475920|3.694059|2.950289|4.506406|6.355952|6.834392|15.315585|6.861019|4.705164|6.036494|5.747028|12.496140|17.864255|8.899284|5.603920|4.951655|3.526999|3.647098|3.432703|3.125372|3.006738|3.151328|3.468990|92.254293|0.044783|0.045506|0.051211|0.046306|0.051972|0.047033|0.048218|0.055962|0.049450|0.057847|0.061033|0.054605|0.068927|0.065412|0.084724|0.500000| |1.416754|1.467957|2.168953|0.046837|1.499022|1.594070|1.693374|1.876750|2.924604|2.506073|0.068794|2.882685|2.565234|2.164983|3.451087|4.590057|3.727174|7.234874|4.135840|3.463480|5.053699|4.989093|7.820757|9.101383|17.761987|8.764127|5.640628|2.723126|2.492087|2.439268|2.312316|2.238810|2.280575|2.403492|70.417744|0.037215|0.037931|0.041711|0.038252|0.041889|0.039196|0.040024|0.045870|0.041595|0.047161|0.048364|0.043872|0.052484|0.050138|0.063921|0.213812|0.500000| |1.323845|1.366459|2.034162|0.043773|1.438663|1.555963|1.571480|1.691482|2.618055|2.179812|0.061233|2.493815|2.290386|1.959148|3.177243|4.185874|3.059787|5.425498|3.673650|3.476296|5.688176|5.663796|6.811653|5.661510|8.810454|17.734930|9.024260|2.759636|2.083234|2.039451|1.903317|1.818627|1.850403|1.974990|57.340687|0.034649|0.035918|0.038715|0.035868|0.038430|0.037719|0.038484|0.044751|0.041185|0.046075|0.045504|0.040731|0.046924|0.044786|0.059071|0.123441|0.212028|0.500000| |1.443349|1.493466|2.267647|0.048973|1.629776|1.809771|1.745217|1.845521|2.896136|2.385980|0.068284|2.777566|2.587256|2.193874|3.559109|4.786148|3.332117|5.457364|4.381192|4.767849|9.440686|8.900335|7.738283|4.942833|5.598318|8.908736|17.770114|3.691202|2.172017|2.096458|1.896986|1.786460|1.833870|2.011425|55.954207|0.037352|0.039518|0.042141|0.039191|0.041478|0.042477|0.043423|0.052233|0.048140|0.054157|0.051462|0.044754|0.050636|0.048106|0.067180|0.107616|0.123169|0.213114|0.500000| |2.452200|2.685569|4.568625|0.101143|3.246412|3.934215|3.716643|3.881025|6.925150|5.644050|0.179520|6.593044|6.062799|5.164768|7.552424|9.282965|5.766782|7.612412|6.499598|8.830551|8.043914|4.526059|6.264886|3.533393|2.951271|2.918402|3.427558|17.574123|3.972675|3.534162|2.819206|2.539090|2.693101|3.285713|75.747931|0.060301|0.066604|0.071706|0.068624|0.073302|0.078444|0.084215|0.112776|0.096782|0.133025|0.120311|0.087671|0.101883|0.091583|0.125238|0.094093|0.071323|0.070186|0.089228|0.500000| |2.127495|2.257066|3.709848|0.081522|2.750073|3.372560|2.864911|2.897230|4.806314|3.758651|0.113054|4.428209|4.370356|3.745527|5.960732|7.745287|4.371265|6.135559|5.544434|9.060543|10.458100|5.053667|6.096503|3.390139|2.968549|3.114136|3.873213|17.626938|2.950236|2.705297|2.272794|2.089062|2.199003|2.578628|64.395261|0.052896|0.058975|0.061990|0.058517|0.060860|0.068750|0.071617|0.098307|0.087791|0.108282|0.090231|0.069863|0.076370|0.071425|0.108073|0.086170|0.070852|0.075357|0.105915|0.300768|0.500000| |2.489038|2.603564|4.344814|0.100075|3.113218|3.839229|3.268431|3.400657|6.010788|4.518542|0.126053|5.926074|6.647623|5.178644|8.094434|12.656847|5.294725|7.064537|6.230172|8.898410|8.460032|4.632849|6.214130|3.493724|2.953385|2.960437|3.518364|17.583047|3.379925|2.922948|2.432796|2.284040|2.487452|3.013375|73.143976|0.060963|0.068459|0.074495|0.065656|0.070202|0.077894|0.078071|0.119081|0.095433|0.120346|0.100522|0.077158|0.086080|0.084437|0.168380|0.091870|0.071167|0.071303|0.092481|0.300714|0.301286|0.500000| |2.265184|2.623960|4.016024|0.082444|2.574310|2.578922|3.729383|4.663311|6.808335|7.028071|0.230224|4.935944|3.831629|3.837432|5.575425|5.439080|4.623039|8.452774|3.763466|3.319607|3.832488|2.785464|4.387981|3.060567|2.577908|2.322269|2.389456|3.256599|8.912318|17.707336|8.922924|5.649918|4.973742|5.643641|113.254125|0.058596|0.058103|0.064759|0.068384|0.078877|0.063164|0.071383|0.069576|0.063872|0.080538|0.106646|0.098182|0.160006|0.112322|0.077340|0.092613|0.067411|0.057734|0.060382|0.105704|0.079907|0.083272|0.500000| |1.971632|2.230455|3.203511|0.065298|2.063289|2.010262|2.812016|3.409272|4.621412|4.094909|0.114846|3.338247|2.811169|2.827298|4.358229|4.243866|3.298510|6.537001|2.768435|2.435682|2.954491|2.220153|3.468737|2.582074|2.261473|2.010810|1.994582|2.340141|5.642422|8.907411|17.731864|8.950780|5.668772|4.955372|130.339142|0.052584|0.050302|0.056160|0.058896|0.068258|0.052251|0.057508|0.054646|0.050781|0.060367|0.076610|0.077533|0.112814|0.090747|0.061776|0.079857|0.061582|0.051174|0.050646|0.071732|0.059015|0.061648|0.215547|0.500000| |2.017261|2.218952|3.063920|0.063424|1.939064|1.860787|2.569321|3.168007|4.263413|3.542833|0.091125|3.067527|2.710414|2.736488|4.323531|4.190916|2.998362|6.115645|2.479897|2.162641|2.636247|1.998835|3.139450|2.391287|2.108744|1.854752|1.814602|2.072011|4.939539|5.637194|8.907132|17.757705|8.909628|5.641689|219.948990|0.054786|0.050758|0.058339|0.057771|0.069260|0.050149|0.053136|0.051527|0.046944|0.054397|0.067424|0.070539|0.098836|0.091014|0.061921|0.075436|0.058474|0.047538|0.046054|0.061819|0.052069|0.056331|0.124134|0.214851|0.500000| 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