Version2.4 2021-05-26T06:43:13Z 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 c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)OCc3cc(=O)n4cc(ccc4n3)Br C03313488 RHF 6-31G(d) (6D,7F) c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)OCc3cc(=O)n4cc(ccc4n3)Br C01[X(C20H15Br1N4O7)] 135 C1 525 O=C(CCN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])OCc1cc(=O)n2c(n1)ccc(c2)Br O=C(CCN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])OCc1cc(=O)n2c(n1)ccc(c2)Br [O-][N+](=O)c1cccc2C(=O)N(CCC(=O)OCC3=CC(=O)N4C=C(Br)C=CC4=N3)C(=O)c12 InChIKey=XOFWRAWIUSDDIE-UHFFFAOYSA-N InChI=1S/C20H13BrN4O7/c21-11-4-5-15-22-12(8-16(26)24(15)9-11)10-32-17(27)6-7-23-19(28)13-2-1-3-14(25(30)31)18(13)20(23)29/h1-5,8-9H,6-7,10H2 InChI=1/C20H13BrN4O7/c21-11-4-5-15-22-12(8-16(26)24(15)9-11)10-32-17(27)6-7-23-19(28)13-2-1-3-14(25(30)31)18(13)20(23)29/h1-5,8-9H,6-7,10H2 c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)OCc3cc(=O)n4cc(ccc4n3)Br C01[X(C20H15Br1N4O7)] 135 C01 525 O=C(CCN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])OCc1cc(=O)n2c(n1)ccc(c2)Br O=C(CCN1C(=O)[C]2[C]([CH][CH][CH][C]2[N]([O])[O])C1=O)OCC1=[CH][C](=O)[NH]2[C]([CH][CH][C](=C2)Br)N1 [O]N([O])[C]1[CH][CH][CH][C]2[C]1C(=O)N(CCC(=O)OCC3=CC(=O)[NH]4C=C(Br)[CH][CH][C]4N3)C2=O InChIKey=JINSUQGCFMCBBC-UHFFFAOYSA-N InChI=1S/C20H15BrN4O7/c21-11-4-5-15-22-12(8-16(26)24(15)9-11)10-32-17(27)6-7-23-19(28)13-2-1-3-14(25(30)31)18(13)20(23)29/h1-5,8-9,24H,6-7,10H2,(H,22,26) InChI=1/C20H15BrN4O7/c21-11-4-5-15-22-12(8-16(26)24(15)9-11)10-32-17(27)6-7-23-19(28)13-2-1-3-14(25(30)31)18(13)20(23)29/h1-5,8-9,24H,6-7,10H2,(H,22,26)/f/h22H 3321.7430870935 -4077.6206249 1-A 35398.7385 127 398 525 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.05319 -64.46485 -58.60429 -58.60246 -58.60237 -20.64423 -20.62368 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472.2793 506.2106 512.6888 531.8235 553.7627 589.1995 593.6396 606.5776 632.8487 646.0397 657.6153 671.9720 673.8989 678.0012 703.4392 732.5431 741.7962 743.6195 762.7499 773.2655 814.2728 830.9383 842.6137 856.2804 863.1280 867.9575 880.4083 889.7416 938.5872 940.0172 949.8448 1000.4732 1047.6856 1067.4862 1077.0927 1080.3251 1087.4577 1098.2034 1113.6882 1121.2378 1134.9905 1138.9902 1140.4985 1167.8022 1180.9137 1200.2558 1232.9127 1235.8214 1249.0494 1259.1714 1278.8037 1285.3463 1312.0994 1346.5840 1362.5914 1376.9829 1383.5088 1402.8899 1404.9629 1415.1956 1457.9123 1475.2607 1476.3810 1498.5584 1502.7205 1512.0795 1548.9176 1555.6031 1576.3201 1593.8587 1610.3399 1616.0143 1631.1055 1637.2146 1646.7111 1651.8813 1670.4044 1713.1564 1780.5151 1799.1400 1807.1697 1810.3043 1873.8892 2007.3815 2015.0982 2046.0943 2071.9188 3235.9414 3250.2628 3277.3374 3296.9853 3298.5733 3355.1675 3364.5453 3393.3744 3411.0037 3426.5000 3440.9166 3451.9977 3475.8415 3645.4505 3837.0104 11.1564 6.4314 9.0211 8.4182 9.7407 10.2162 5.1086 11.4548 5.4625 5.6101 6.3940 6.6947 8.7217 7.2728 4.7017 8.0771 7.8338 3.1868 5.5283 7.8246 5.4746 9.5879 4.6940 8.3785 6.2594 4.4867 1.5109 8.6070 3.7254 4.9578 8.0961 4.0485 6.7140 4.3834 6.2117 4.7856 5.3179 6.5128 6.0267 6.0942 6.6869 2.4233 3.5245 6.0586 1.7742 3.4789 7.2657 4.0984 6.6402 4.9635 1.2312 5.7022 5.7003 5.2989 4.2377 2.4871 3.0392 1.4346 5.4641 4.3913 3.9895 5.4163 2.1619 5.0517 8.1661 5.5632 4.4984 1.5461 1.3989 3.1735 5.5797 4.0593 1.9298 3.9886 1.3876 2.7456 2.2378 2.4655 3.4925 2.3744 2.0523 2.5234 2.0932 2.3579 2.8604 3.0673 2.2691 2.2465 1.6200 1.7348 2.5443 1.0914 1.7433 1.9051 1.5866 1.4938 1.7604 1.3812 1.4883 1.8430 5.1766 1.5247 1.6628 2.2059 1.3986 1.1678 2.9242 1.6189 1.4441 6.7757 3.5179 4.6858 7.0240 6.2942 8.0499 13.4711 12.9081 12.2676 12.3203 12.6058 1.0622 1.0584 1.1041 1.1080 1.0607 1.1097 1.0916 1.0907 1.0961 1.0953 1.0941 1.0927 1.0946 1.0772 1.0782 0.0003 0.0005 0.0013 0.0025 0.0110 0.0138 0.0090 0.0285 0.0164 0.0214 0.0255 0.0335 0.0713 0.0837 0.0776 0.1573 0.1591 0.0707 0.1379 0.2156 0.1757 0.4138 0.2427 0.4560 0.3664 0.2687 0.1158 0.7143 0.3145 0.4408 0.7366 0.3961 0.8358 0.5761 0.9378 0.7411 0.8862 1.1767 1.2327 1.2654 1.4496 0.5718 0.8667 1.5437 0.4720 0.9309 1.9678 1.1949 2.0994 1.6092 0.4011 1.9546 2.0082 2.0700 1.7239 1.0404 1.3129 0.6297 2.4253 2.0055 1.8608 2.8112 1.1255 2.6853 4.8159 3.5978 3.0202 1.0568 0.9619 2.2111 3.9649 2.9664 1.4294 3.0273 1.0606 2.1041 1.7981 2.0258 2.9644 2.1265 1.8467 2.3195 1.9553 2.2718 2.7843 3.1113 2.4242 2.4575 1.8097 1.9564 2.9503 1.2693 2.0571 2.3858 2.0345 1.9184 2.3292 1.8377 2.0049 2.6052 7.3806 2.2322 2.4888 3.3703 2.1520 1.8305 4.6181 2.5864 2.3217 11.1391 6.0832 8.7523 13.3957 12.1113 15.5434 27.8702 30.6459 29.3496 30.3894 31.8835 6.5533 6.5877 6.9871 7.0962 6.7995 7.3601 7.2809 7.3999 7.5137 7.5768 7.6325 7.6719 7.7913 8.4340 9.3524 0.7999 0.9674 0.7139 1.6095 0.4090 0.6888 2.2052 0.1543 4.5109 3.2223 0.3126 0.4500 8.4685 3.1659 3.3943 1.8971 4.0768 3.2041 0.0214 1.7692 0.2583 2.8165 0.5526 18.6020 20.5246 3.5263 108.6035 19.8658 69.6599 15.3240 4.9852 9.2853 14.7678 58.0904 26.4432 0.3242 2.2570 49.5927 26.2242 5.0152 21.4579 5.5340 3.3808 0.7330 2.4240 7.5712 5.6023 4.7581 19.1711 3.0214 91.7517 1.3850 9.7013 36.7892 90.0441 21.4459 5.1453 43.5158 0.9276 7.8743 29.0965 34.1322 9.3683 46.2904 6.7601 3.8779 92.3873 12.6937 0.7242 9.5603 0.6351 44.3120 8.2149 6.8124 0.3330 32.4542 2.7056 32.2785 20.1997 185.7461 5.0821 1.5857 41.9806 23.2671 29.0363 1.1081 754.5405 429.5058 24.0127 0.2834 23.8355 5.8939 17.9864 390.1341 119.2464 24.9239 96.5067 47.8402 117.2550 85.7322 704.3797 14.2112 33.9960 20.6122 11.8474 60.0045 107.4919 113.0034 90.0605 93.0123 92.9990 231.1335 4.1437 110.6545 59.8726 452.2376 794.8518 336.8865 476.8600 112.7985 5.0146 16.1802 2.5055 12.0183 8.7093 1.5702 12.2077 3.4972 3.0358 0.7530 1.6779 1.2096 4.1036 33.5167 63.2759 5.1348 2.2552 3.1226 0.3603 0.8161 0.2135 1.1016 3.1503 8.5123 2.4014 1.0632 0.6249 1.6109 1.3074 0.4180 1.5733 0.9394 0.4078 3.7509 4.3507 1.0811 1.9730 0.8303 1.6905 3.0175 2.0236 29.8197 2.5828 6.6656 0.8679 3.0271 1.4252 2.3798 1.3328 4.7303 0.5679 1.9765 0.8355 2.2094 9.9691 1.9042 1.1783 2.0024 1.3830 7.6326 20.8537 2.7575 11.6437 5.1658 1.3120 2.2500 1.7938 5.9822 3.0237 2.3731 2.9094 3.3090 4.7983 1.6082 3.3412 7.1251 9.7229 0.7682 2.9483 3.1798 5.4073 2.0732 4.8760 1.3090 6.9512 9.4921 5.2631 0.4690 7.7674 0.2370 2.6510 25.7746 2.1260 23.0427 20.9926 18.9524 21.3733 1.2826 3.9012 12.3425 25.4363 3.8264 20.4447 16.5068 2.0155 3.9199 9.2809 1.7077 28.1847 11.2919 0.5802 2.7859 18.6359 14.6026 27.9516 5.7165 2.6991 1.4347 3.7882 13.2013 11.5504 10.2149 5.1614 7.9509 26.5866 56.7388 55.1292 28.4962 52.0982 21.7504 2.1986 5.9378 3.2349 66.5191 53.4808 50.7351 100.3803 35.2521 51.0934 52.3297 26.6097 82.1946 75.6731 110.5593 126.9026 95.6818 101.3408 48.3142 54.3003 153.2264 0.7498 0.7443 0.7438 0.6609 0.7260 0.4970 0.5876 0.7297 0.6206 0.6329 0.6669 0.2580 0.6949 0.4753 0.6245 0.6618 0.7088 0.6655 0.7483 0.6453 0.4697 0.7358 0.5639 0.6417 0.5194 0.6312 0.4293 0.7496 0.7190 0.7242 0.1427 0.6819 0.2292 0.6890 0.2364 0.4406 0.6696 0.7049 0.7222 0.3126 0.4486 0.6880 0.4638 0.4221 0.2719 0.1062 0.7423 0.2003 0.2124 0.3352 0.6492 0.0620 0.4268 0.5362 0.4624 0.5194 0.5186 0.6081 0.3710 0.5571 0.5227 0.3628 0.6890 0.7373 0.1588 0.3307 0.1037 0.3138 0.7494 0.0562 0.4537 0.5598 0.5011 0.0478 0.6635 0.6934 0.2079 0.5381 0.2503 0.5163 0.4848 0.3758 0.4201 0.7046 0.4758 0.1954 0.0474 0.2986 0.3149 0.6956 0.2003 0.7226 0.5580 0.7493 0.2958 0.4296 0.5435 0.7499 0.4461 0.5549 0.3159 0.3630 0.4431 0.5008 0.6989 0.7128 0.0624 0.7034 0.7361 0.1249 0.5055 0.2031 0.6810 0.1754 0.7048 0.7034 0.6179 0.6826 0.2400 0.1257 0.0541 0.0446 0.7494 0.7198 0.0605 0.7499 0.4383 0.6063 0.2606 0.1897 0.2268 0.2789 0.2557 0.4151 0.2115 0.8570 0.8534 0.8531 0.7958 0.8412 0.6640 0.7402 0.8437 0.7659 0.7752 0.8002 0.4102 0.8200 0.6443 0.7689 0.7965 0.8296 0.7992 0.8560 0.7844 0.6392 0.8478 0.7211 0.7818 0.6837 0.7739 0.6007 0.8569 0.8365 0.8400 0.2498 0.8109 0.3729 0.8158 0.3824 0.6117 0.8021 0.8269 0.8387 0.4763 0.6193 0.8151 0.6337 0.5936 0.4276 0.1921 0.8521 0.3337 0.3503 0.5021 0.7873 0.1167 0.5982 0.6981 0.6324 0.6837 0.6830 0.7563 0.5412 0.7155 0.6866 0.5325 0.8159 0.8488 0.2741 0.4970 0.1878 0.4778 0.8568 0.1064 0.6242 0.7178 0.6677 0.0912 0.7977 0.8189 0.3442 0.6997 0.4004 0.6810 0.6530 0.5463 0.5917 0.8267 0.6448 0.3269 0.0904 0.4599 0.4789 0.8205 0.3337 0.8390 0.7163 0.8567 0.4566 0.6010 0.7043 0.8571 0.6170 0.7138 0.4801 0.5327 0.6141 0.6673 0.8228 0.8324 0.1175 0.8259 0.8480 0.2221 0.6715 0.3377 0.8102 0.2985 0.8269 0.8258 0.7638 0.8114 0.3871 0.2234 0.1026 0.0853 0.8567 0.8371 0.1141 0.8571 0.6095 0.7549 0.4135 0.3189 0.3698 0.4362 0.4073 0.5867 0.3492 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 6 6 6 6 6 6 7 8 8 6 8 7 6 8 6 6 6 8 8 6 6 6 6 8 7 6 6 6 6 6 7 35 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 6363.7855 66502.8684 68201.7676 0.99994 -0.00976 -0.00441 0.00989 0.99949 0.03031 0.00412 -0.03035 0.99953 1 0.01361 0.00130 0.00127 0.28360 0.02714 0.02646 9.98 17.10 22.21 32.22 62.91 68.77 78.59 93.54 102.57 115.66 118.43 132.53 169.47 201.07 240.80 261.57 267.11 279.21 295.99 311.17 335.80 389.41 426.24 437.28 453.48 458.68 518.84 539.99 544.65 558.89 565.38 586.31 661.35 679.50 728.32 737.64 765.18 796.74 847.73 854.11 872.73 910.53 929.51 946.16 966.82 969.59 975.49 1012.09 1053.97 1067.28 1069.90 1097.43 1112.56 1171.56 1195.53 1212.33 1232.00 1241.85 1248.80 1266.71 1280.14 1350.42 1352.48 1366.61 1439.46 1507.39 1535.87 1549.70 1554.35 1564.61 1580.07 1602.35 1613.21 1633.00 1638.75 1640.92 1680.21 1699.07 1726.90 1773.89 1778.07 1797.10 1811.67 1839.91 1849.33 1887.82 1937.43 1960.47 1981.17 1990.56 2018.45 2021.43 2036.15 2097.61 2122.57 2124.18 2156.09 2162.08 2175.55 2228.55 2238.17 2267.97 2293.21 2316.92 2325.08 2346.80 2355.59 2369.25 2376.69 2403.34 2464.85 2561.76 2588.56 2600.11 2604.62 2696.11 2888.17 2899.28 2943.87 2981.03 4655.80 4676.40 4715.36 4743.63 4745.91 4827.34 4840.83 4882.31 4907.67 4929.97 4950.71 4966.65 5000.96 5244.99 5520.60 0.366583 0.393242 0.394186 0.302054 -4077.254042 -4077.227383 -4077.226439 -4077.318571 3.090122D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)OCc3cc(=O)n4cc(ccc4n3)Br C03313488 RHF 6-31G(d) (6D,10F) C1 502.012410 |X|Y|Z| 47.220464 37.222531 178.282142 67.922657 24 6 7 8 20 3 1 |36.858105| |13.742286|36.858105| |8.054025|13.815494|36.858105| |6.870618|7.857881|13.797043|36.858105| |7.922443|6.822217|8.022640|13.802691|36.858105| |13.719855|7.903300|6.971716|7.960922|13.762411|36.858105| |5.125669|4.484499|5.102566|7.654870|13.064566|7.836313|53.358707| |4.623228|3.887863|4.145925|5.511762|8.419995|6.916640|21.703752|73.516695| |4.166396|3.883782|4.568767|6.692093|8.421963|5.614525|21.848605|15.955917|73.516695| |4.483512|5.204725|8.178098|12.632051|7.169588|4.932285|8.064542|7.991734|10.852011|36.858105| |3.668561|3.995973|5.475652|7.807952|5.914826|4.173422|7.961844|8.056642|11.715648|16.110574|73.516695| |4.129717|5.240670|8.320277|8.271600|5.193176|4.116367|5.761226|6.138132|7.622538|13.726842|14.848955|53.358707| |5.012801|7.364735|12.773476|8.170232|5.239274|4.527348|5.385981|5.873412|6.766819|8.259749|9.872094|18.793886|36.858105| |4.283243|6.167952|7.893666|5.470662|4.028786|3.723693|4.343099|4.910869|5.482769|5.529076|7.498585|11.318587|16.035451|73.516695| |3.148171|3.807520|5.144690|5.128394|3.773732|3.137747|4.541042|5.035482|6.184724|7.621648|11.795514|17.834553|7.618804|11.674927|36.858105| |2.830712|3.343561|4.259795|4.238916|3.307010|2.819629|4.062182|4.677334|5.388721|5.766469|9.733418|10.523763|5.742206|9.510742|12.486908|36.858105| |2.321851|2.671754|3.224037|3.213202|2.646860|2.313649|3.355679|3.938990|4.513990|4.103862|7.316750|6.830921|4.094311|7.205902|7.597694|12.650855|36.858105| |2.165343|2.475650|2.955089|2.951214|2.459365|2.159657|3.149739|3.686320|4.306611|3.725432|6.696967|6.124363|3.712786|6.605604|6.821403|7.944918|16.048024|73.516695| |2.129272|2.410876|2.821627|2.808147|2.384057|2.120236|3.050491|3.658847|4.045611|3.424043|6.160968|5.393640|3.424107|6.094191|5.169972|8.121400|14.324695|15.296805|73.516695| |1.844406|2.057636|2.351657|2.344031|2.039398|1.837981|2.647119|3.206789|3.532104|2.780657|5.054131|4.261818|2.777492|5.000637|3.937317|5.206410|8.170969|12.899178|24.068085|36.858105| |1.710800|1.885293|2.110851|2.100449|1.864068|1.703115|2.430365|2.990995|3.205627|2.418771|4.388201|3.614607|2.423861|4.370872|3.141939|4.043842|5.262175|8.247397|14.211825|12.655684|36.858105| |1.767352|1.937422|2.157536|2.150663|1.921493|1.761740|2.502904|3.108046|3.261752|2.448212|4.433885|3.605444|2.440353|4.365235|3.027980|3.962752|4.665803|6.971647|12.293501|7.550222|14.096807|36.858105| |1.616654|1.752533|1.912916|1.899322|1.727072|1.607048|2.257297|2.837259|2.922169|2.106611|3.796045|3.059428|2.118328|3.807242|2.488376|3.096670|3.462011|5.398945|8.111232|4.949163|7.799742|13.168877|36.858105| |1.604120|1.723864|1.864007|1.854538|1.705007|1.597039|2.233581|2.834315|2.868471|2.027844|3.650386|2.904503|2.029768|3.627657|2.305376|2.827084|3.023049|4.717314|6.769268|3.897792|5.355606|8.026468|16.168391|73.516695| |1.468748|1.591233|1.722839|1.699695|1.550899|1.452959|2.028010|2.546317|2.638529|1.872268|3.359294|2.734198|1.909942|3.472867|2.233188|2.687291|3.066389|4.994037|6.887450|4.520150|6.945820|7.743261|12.508041|14.521132|53.358707| |1.344471|1.442374|1.542889|1.523800|1.408107|1.330712|1.849956|2.341758|2.399736|1.654239|2.967534|2.387100|1.683720|3.055764|1.912616|2.241777|2.482763|4.102979|5.318804|3.356485|4.543961|5.027545|7.520583|12.300810|17.582989|36.858105| |1.257069|1.339017|1.431769|1.426147|1.326805|1.252292|1.759193|2.233376|2.291990|1.548696|2.802040|2.211632|1.550761|2.793305|1.768289|2.043937|2.263485|3.795428|4.758165|3.024415|3.944930|4.198840|5.650955|9.563536|10.711179|14.214109|36.858105| |1.244324|1.324278|1.425470|1.430932|1.329959|1.246904|1.775086|2.247149|2.329983|1.568306|2.864077|2.231838|1.546980|2.770221|1.801450|2.075255|2.337413|3.970427|4.900858|3.208185|4.156004|4.183820|5.114973|8.186903|9.048452|7.802989|13.498929|36.858105| |1.320524|1.415583|1.537873|1.543708|1.420981|1.322922|1.891654|2.376538|2.495020|1.713278|3.135083|2.459922|1.689457|3.029407|2.021723|2.356313|2.738766|4.673418|5.868006|4.063844|5.538355|5.124822|5.802726|8.372911|10.621208|6.887486|8.106277|13.809769|36.858105| |1.422008|1.539627|1.679027|1.669627|1.520757|1.414784|2.003020|2.502769|2.633726|1.860703|3.372818|2.714497|1.869488|3.383400|2.255939|2.685928|3.184505|5.349842|7.101242|5.113701|7.979559|6.920562|7.765467|9.809432|17.547822|7.806652|6.963306|7.849930|13.883173|36.858105| |1.531974|1.675296|1.850796|1.838687|1.651995|1.523214|2.166173|2.679231|2.864919|2.084663|3.780099|3.088211|2.099111|3.807761|2.642420|3.207358|4.040727|6.824786|9.415697|7.920738|14.107381|8.087471|6.751431|8.496404|10.921046|5.175894|4.607401|5.097626|7.705935|13.490627|53.358707| |1.144191|1.208215|1.277529|1.272132|1.196759|1.139587|1.591683|2.035908|2.066397|1.362379|2.458885|1.928783|1.365476|2.457232|1.516764|1.719132|1.858119|3.135573|3.788579|2.328754|2.844478|3.034165|3.828204|7.051801|6.232608|6.877354|10.034744|6.677009|4.643042|4.121657|4.303166|2539.412838| |17.741489|8.908483|5.691331|4.952852|5.652056|8.946336|5.687596|7.075809|6.195628|3.580474|5.408095|4.607455|4.046765|6.514367|2.702442|2.474688|2.077792|3.464861|3.429495|1.692131|1.584773|1.638899|1.515516|2.684939|1.885463|1.277405|1.195566|1.179422|1.245061|1.337233|1.947204|37.293864|0.500000| |8.842846|17.743488|8.918311|5.617276|4.927829|5.615063|4.872683|5.686591|5.688115|4.274014|6.034985|6.266513|6.645888|11.528199|3.549986|3.169838|2.584338|4.275898|4.176383|2.020133|1.858987|1.905717|1.734157|3.029329|2.159035|1.440309|1.331372|1.310392|1.399254|1.528273|2.259884|40.953817|0.212369|0.500000| |8.887290|5.630038|5.007228|5.672879|8.972292|17.769006|9.953284|13.498427|9.311951|4.001240|6.370744|4.597750|3.609725|5.476280|2.694969|2.465377|2.070208|3.456207|3.412787|1.685327|1.575715|1.632793|1.503075|2.668969|1.855557|1.257769|1.189289|1.184313|1.249741|1.327886|1.932028|37.078368|0.215259|0.123491|0.500000| |2.993279|3.672602|4.747731|4.420350|3.356134|2.899201|4.008990|4.499568|5.432646|5.759192|8.838643|12.613844|7.261598|12.952219|17.657797|8.829592|6.898193|12.210264|8.502328|3.813348|3.032654|2.866037|2.382835|3.902183|2.972852|1.873717|1.727039|1.754525|1.971241|2.211724|3.537989|50.506131|0.072499|0.098641|0.069577|0.500000| |2.897526|3.368748|4.426987|4.738722|3.630832|2.973623|4.578682|5.045508|6.494102|7.251442|12.971206|12.593542|5.767075|8.812859|17.661304|8.832879|6.899504|12.290712|8.467772|3.808799|3.017302|2.867704|2.364598|3.890012|2.908885|1.839615|1.722068|1.775288|1.996594|2.196592|3.502629|50.330664|0.069532|0.086295|0.072084|0.302482|0.500000| |2.845755|3.266107|4.150841|4.384664|3.484985|2.913842|4.385972|5.081403|5.801225|6.117124|11.193624|9.499592|5.118367|8.040717|8.805882|17.559043|9.022145|11.038791|13.051498|4.857035|3.970361|4.060903|3.174182|5.236980|3.650542|2.252258|2.069212|2.107214|2.375751|2.668638|4.257816|59.350556|0.068853|0.084127|0.071208|0.173073|0.211066|0.500000| |2.936894|3.541011|4.412373|4.130545|3.241333|2.844647|3.879563|4.527275|5.009239|5.142521|8.215226|9.508828|6.076323|10.803468|8.799691|17.560090|9.015548|10.971666|13.183622|4.866341|4.006349|4.058334|3.220136|5.269590|3.780199|2.316189|2.078278|2.073147|2.333756|2.696245|4.321982|59.650615|0.071741|0.095431|0.068810|0.210690|0.173051|0.303266|0.500000| |1.797718|2.017884|2.289578|2.246566|1.951804|1.773847|2.514653|3.038410|3.357719|2.632598|4.702192|4.109189|2.731534|5.032846|3.813320|4.760007|7.326758|13.182427|16.550766|17.595411|8.924550|5.808503|4.270420|6.097807|5.708766|3.180824|2.855386|3.000820|3.765336|4.758126|9.896910|75.831909|0.046005|0.055611|0.045147|0.107611|0.101603|0.117305|0.126784|0.500000| |1.776554|1.962201|2.248056|2.282082|2.000512|1.790542|2.636647|3.192214|3.560182|2.732352|5.087711|4.091154|2.618454|4.630807|3.780132|4.748089|7.227639|12.793106|16.535813|17.600255|8.962668|6.048544|4.287128|6.198139|5.414686|3.077651|2.880128|3.158513|4.024008|4.717885|9.443793|76.242020|0.045238|0.053074|0.045824|0.100283|0.106494|0.127570|0.117283|0.302634|0.500000| |1.938289|2.131179|2.397618|2.402213|2.131122|1.938850|2.765231|3.428413|3.583025|2.758595|5.001006|4.049740|2.714872|4.794272|3.376656|4.620072|5.157204|7.281895|13.813498|6.869163|9.001260|17.820000|8.854795|12.649604|7.565846|4.086019|3.508449|3.473733|4.046685|4.993373|7.791264|91.549478|0.049576|0.057804|0.049656|0.086579|0.087691|0.136836|0.132843|0.145679|0.156399|0.500000| |1.343638|1.440672|1.529499|1.501012|1.390721|1.323233|1.818722|2.308806|2.346089|1.613640|2.873423|2.330630|1.662248|3.030918|1.847280|2.154589|2.340803|3.851286|4.949905|3.025295|3.931962|4.439378|6.445414|11.714082|12.049055|17.867209|8.866990|5.548344|4.975197|5.644023|5.784382|220.617710|0.035603|0.040143|0.034772|0.050420|0.048997|0.059975|0.062656|0.080572|0.076384|0.104923|0.500000| 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