Version2.4 2021-05-28T16:43:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)cc(o2)C(=O)C3=C(C(=O)N([C@H]3c4ccc(cc4)[N+](=O)[O-])Cc5ccco5)[O-] C33378752 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)cc(o2)C(=O)C3=C(C(=O)N([C@H]3c4ccc(cc4)[N+](=O)[O-])Cc5ccco5)[O-] C01[X(C24H15N2O7)] 138 C1 525 O=C1C(=C([C@@H](N1Cc1ccco1)c1ccc(cc1)[N+](=O)[O-])C(=O)c1cc2c(o1)cccc2)[O-] O=C1C(=C([C@@H](N1Cc1ccco1)c1ccc(cc1)[N+](=O)[O-])C(=O)c1cc2c(o1)cccc2)[O-] [O-]C1=C([C@@H](N(Cc2occc2)C1=O)c3ccc(cc3)[N+]([O-])=O)C(=O)c4oc5ccccc5c4 InChIKey=JILZJGLRHUKQQM-NRFANRHFSA-M InChI=1S/C24H16N2O7/c27-22(19-12-15-4-1-2-6-18(15)33-19)20-21(14-7-9-16(10-8-14)26(30)31)25(24(29)23(20)28)13-17-5-3-11-32-17/h1-12,21,28H,13H2/p-1/t21-/m0/s1 InChI=1/C24H16N2O7/c27-22(19-12-15-4-1-2-6-18(15)33-19)20-21(14-7-9-16(10-8-14)26(30)31)25(24(29)23(20)28)13-17-5-3-11-32-17/h1-12,21,28H,13H2/p-1/t21-/m0/s1/fC24H15N2O7/h28h/q-1 c1ccc2c(c1)cc(o2)C(=O)C3=C(C(=O)N([C@H]3c4ccc(cc4)[N+](=O)[O-])Cc5ccco5)[O-] C01[X(C24H15N2O7)] 138 C01 525 O=C1C(=C([C@@H](N1Cc1ccco1)c1ccc(cc1)[N+](=O)[O-])C(=O)c1cc2c(o1)cccc2)[O-] O=[C]([C]1[C](=O)C(=O)N([C@H]1[C]1[CH][CH][C]([CH][CH]1)[N]([O])[O])CC1=[CH][CH]=CO1)C1=[CH][C]2[C]([CH][CH][CH][CH]2)O1 [O]N([O])[C]1[CH][CH][C]([CH][CH]1)[C@H]2[C](C(=O)C(=O)N2Cc3occc3)C(=O)C4=C[C]5[CH][CH][CH][CH][C]5O4 InChIKey=DZINVUIOOMCFIS-NRFANRHFSA-N InChI=1S/C24H15N2O7/c27-22(19-12-15-4-1-2-6-18(15)33-19)20-21(14-7-9-16(10-8-14)26(30)31)25(24(29)23(20)28)13-17-5-3-11-32-17/h1-12,21H,13H2/t21-/m0/s1 InChI=1/C24H15N2O7/c27-22(19-12-15-4-1-2-6-18(15)33-19)20-21(14-7-9-16(10-8-14)26(30)31)25(24(29)23(20)28)13-17-5-3-11-32-17/h1-12,21H,13H2/t21-/m0/s1 3305.7456318392 -1550.4038713 1-A 13625.3160 115 410 525 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443.08793 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 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 14.4518 18.2069 25.9255 31.6088 43.5120 49.4246 56.5351 65.0995 66.3745 77.2460 97.8392 113.5135 126.1037 140.2451 168.2476 206.1979 242.2761 259.2277 270.0751 279.9269 289.1831 319.5746 327.0555 338.3275 360.1466 372.2601 389.4364 411.1213 460.6113 475.0739 482.1875 496.8723 554.7287 568.3526 572.7148 577.7656 629.9851 636.3728 644.7170 661.5770 669.6667 688.2993 690.2931 697.1477 743.8385 752.9293 793.5798 811.6496 831.5434 835.8858 841.9675 851.0312 852.6361 872.2165 884.4456 894.0328 906.6067 916.8776 919.2922 944.2261 954.6031 961.6317 966.1708 972.8448 973.0639 975.1684 991.6027 1016.9055 1023.5385 1046.3478 1054.2441 1091.5767 1099.5786 1101.2866 1109.8183 1111.5918 1113.6719 1115.8422 1179.1265 1207.3120 1210.7811 1220.5233 1226.8562 1236.8862 1258.7788 1274.0093 1294.1575 1301.5395 1305.7188 1311.3468 1319.0772 1341.4582 1349.0086 1354.1659 1369.6269 1387.2113 1395.9744 1413.6742 1439.8830 1456.4468 1460.2189 1493.6413 1525.4342 1540.5684 1562.0307 1585.7523 1593.8803 1617.6935 1625.8564 1628.2438 1639.9265 1671.0654 1707.0613 1765.1348 1767.2677 1788.2230 1797.1336 1803.6797 1809.0216 1812.5856 1848.5185 1953.5264 1980.9825 3211.5523 3218.8835 3291.6016 3347.6966 3363.3793 3376.5023 3387.1215 3387.9566 3403.3693 3426.8095 3433.0577 3434.7799 3440.5655 3468.9755 3478.3622 6.9005 6.4662 5.1709 7.5543 8.5524 5.7415 7.1562 7.1515 7.1216 4.8608 9.7665 9.5767 7.8082 7.8786 6.9429 7.5909 8.3884 7.2105 7.2812 4.3742 8.3086 6.9337 7.8930 5.6350 3.4731 4.3340 8.4519 5.0938 2.9948 5.1151 3.4713 8.6728 6.6391 3.8121 9.4748 7.2475 7.8514 3.5859 7.0844 2.9758 6.9129 7.0274 6.3386 4.6023 6.4261 5.2823 4.8728 3.8087 2.7017 3.1777 1.4882 1.3830 4.9608 5.5938 5.8301 4.7535 5.2479 1.5850 4.3981 1.2566 1.5566 5.8104 7.0904 1.6411 4.8673 2.2910 1.3685 6.8880 3.0350 3.2221 1.3684 1.2815 1.6423 1.4196 2.1695 2.5430 1.8862 2.0174 3.0347 1.7319 2.4636 1.7120 1.7831 2.8667 1.7603 1.9076 2.7572 3.0513 1.3545 2.8139 3.7571 2.8241 4.4444 1.9490 2.7243 2.6422 3.4419 2.5292 1.3926 2.1089 1.8824 1.5690 1.6409 2.1825 2.8481 3.4260 2.3638 1.1045 4.5263 4.2938 2.5805 2.2941 4.7858 7.3127 7.5037 7.3712 5.4476 6.0218 6.6692 9.8786 11.1650 12.7937 12.3193 1.0786 1.0743 1.0971 1.0866 1.0911 1.0958 1.0909 1.0967 1.0913 1.0932 1.0942 1.0946 1.0985 1.0984 1.1056 0.0008 0.0013 0.0020 0.0044 0.0095 0.0083 0.0135 0.0179 0.0185 0.0171 0.0551 0.0727 0.0732 0.0913 0.1158 0.1902 0.2901 0.2855 0.3129 0.2019 0.4094 0.4172 0.4974 0.3800 0.2654 0.3539 0.7552 0.5073 0.3744 0.6802 0.4755 1.2615 1.2037 0.7255 1.8310 1.4254 1.8359 0.8556 1.7350 0.7674 1.8265 1.9616 1.7795 1.3179 2.0949 1.7643 1.8080 1.4783 1.1007 1.3082 0.6216 0.5902 2.1249 2.5073 2.6870 2.2386 2.5414 0.7851 2.1899 0.6601 0.8358 3.1657 3.8997 0.9151 2.7153 1.2836 0.7928 4.1967 1.8734 2.0785 0.8961 0.8996 1.1699 1.0144 1.5744 1.8513 1.3783 1.4800 2.4859 1.4873 2.1279 1.5026 1.5813 2.5840 1.6433 1.8242 2.7208 3.0455 1.3606 2.8510 3.8516 2.9943 4.7653 2.1057 3.0110 2.9957 3.9519 2.9780 1.7012 2.6357 2.3649 2.0623 2.2496 3.0519 4.0943 5.0759 3.5381 1.7030 7.0495 6.7070 4.0888 3.7745 8.2167 13.4241 13.8080 13.8877 10.3662 11.5423 12.8592 19.1224 22.4780 28.7664 28.4838 6.5543 6.5580 7.0033 7.1747 7.2722 7.3609 7.3742 7.4169 7.4475 7.5638 7.5982 7.6086 7.6612 7.7877 7.8812 1.2912 0.5554 0.0252 0.9384 0.0939 0.7397 0.5119 2.6085 3.1714 0.5006 2.9028 0.4231 0.3349 5.0142 0.6709 1.1424 4.6725 0.9663 0.7315 3.4137 0.8870 2.2118 4.5566 0.3795 1.6018 5.5997 10.0663 6.4229 0.1862 0.8922 2.5683 7.3488 41.1249 2.7166 23.4013 2.8609 5.2702 0.4372 23.5987 8.0975 3.0631 3.8188 14.6146 11.2440 3.9698 5.0315 9.9436 17.9036 0.5296 93.0318 78.7283 36.8108 9.7420 25.4603 65.3665 44.9475 26.4933 27.2808 7.4370 0.7020 10.4014 6.3185 31.3787 2.2213 10.5697 14.1684 0.5746 24.8299 2.7998 1.3872 5.5249 0.0015 1.2014 3.8541 1.7778 2.3333 31.8114 38.9932 16.6841 7.4625 30.8094 6.0649 19.6897 43.8069 2.7698 19.4753 13.2713 16.7998 14.0635 15.5535 29.6578 48.8848 14.6228 253.2782 29.9660 26.8352 51.4226 19.9833 43.2660 1.2500 126.6798 69.1606 399.7477 495.1462 103.6895 448.6811 158.9436 17.2194 277.8474 220.5144 17.6407 0.5477 18.7760 107.0163 73.3024 74.2658 38.0478 4.6270 16.8527 321.9892 327.9973 662.1637 658.5100 3.8093 70.8422 5.5638 3.4080 25.2580 53.7371 9.3752 22.2726 1.2857 9.6944 0.7427 0.1549 4.4901 0.7921 5.7017 0.6507 6.8302 7.0720 1.4473 6.6239 2.5513 1.5603 2.7733 0.8604 1.2889 1.4721 0.4245 8.1445 1.4216 1.9840 1.2779 1.1678 1.4384 3.2735 1.2215 1.2105 0.9917 1.7159 1.3480 2.0151 2.5859 2.7226 1.1652 0.0815 1.6126 0.4687 0.9838 1.3361 0.7505 0.7516 1.3964 1.5343 0.2803 0.8410 1.0990 10.7858 4.4881 9.4473 3.0848 1.0729 3.5786 1.0175 2.6509 2.3101 1.6153 2.9104 2.1367 3.6826 5.9745 7.8563 21.4773 4.6456 2.5886 1.9097 1.6856 11.9695 14.2544 16.2654 4.0972 4.9889 3.8191 1.8344 4.3081 3.7796 6.5161 0.5977 1.2274 1.3896 1.5720 22.6580 3.2100 8.1134 2.2845 2.1876 0.5595 6.7093 16.5295 9.3011 78.8131 23.4594 19.9418 31.0242 5.8691 2.1789 9.0333 5.2546 6.9623 20.6921 14.4362 120.6872 1.4687 21.0110 41.9866 2.3747 25.8392 5.0807 5.0935 15.6212 16.3417 13.4961 8.4422 9.3615 15.2882 155.1036 189.6197 14.3549 27.8015 54.0875 11.2949 404.3623 149.4471 158.8660 9.5321 209.7976 86.5108 0.5736 62.2511 51.9095 3.8660 91.5760 65.1960 62.1749 126.5996 140.5703 35.9357 186.9738 27.8927 62.9626 54.5572 66.4024 56.3778 62.9819 102.8548 0.7003 0.7167 0.7496 0.6555 0.7460 0.7323 0.7387 0.7458 0.6347 0.6318 0.7351 0.6686 0.7198 0.7305 0.6339 0.7392 0.5405 0.6132 0.4380 0.3956 0.4275 0.0763 0.2189 0.1215 0.7453 0.5553 0.2993 0.3790 0.3226 0.4549 0.3872 0.5494 0.1941 0.7236 0.2872 0.5423 0.7445 0.7500 0.5247 0.7283 0.6415 0.6711 0.6572 0.7019 0.6441 0.1666 0.2925 0.6428 0.7488 0.7257 0.7484 0.7495 0.7350 0.2118 0.3809 0.0397 0.7340 0.2677 0.7460 0.7003 0.5576 0.3189 0.0901 0.6181 0.7047 0.2444 0.6612 0.1818 0.2197 0.2587 0.7428 0.6517 0.7428 0.7335 0.0742 0.5255 0.6420 0.4333 0.3247 0.3372 0.3567 0.5013 0.3874 0.2326 0.4519 0.0871 0.0678 0.4987 0.4833 0.5870 0.6199 0.7413 0.1635 0.6215 0.2515 0.6440 0.3525 0.5160 0.7398 0.6580 0.7438 0.7269 0.3803 0.5027 0.3674 0.3018 0.5256 0.7500 0.5039 0.1631 0.4387 0.3317 0.2065 0.5430 0.2767 0.3183 0.3586 0.3302 0.4449 0.5418 0.6498 0.3724 0.3385 0.7251 0.1048 0.3530 0.7447 0.7014 0.1928 0.5623 0.1113 0.4192 0.7494 0.2440 0.2219 0.1975 0.3010 0.1754 0.8237 0.8350 0.8569 0.7919 0.8545 0.8455 0.8497 0.8544 0.7765 0.7743 0.8473 0.8014 0.8371 0.8443 0.7759 0.8500 0.7017 0.7602 0.6092 0.5669 0.5990 0.1418 0.3592 0.2167 0.8541 0.7141 0.4607 0.5496 0.4878 0.6254 0.5582 0.7092 0.3250 0.8396 0.4463 0.7032 0.8535 0.8571 0.6882 0.8428 0.7816 0.8032 0.7931 0.8249 0.7835 0.2856 0.4526 0.7825 0.8563 0.8410 0.8561 0.8568 0.8472 0.3496 0.5517 0.0763 0.8466 0.4223 0.8545 0.8237 0.7159 0.4835 0.1652 0.7640 0.8268 0.3928 0.7960 0.3077 0.3602 0.4111 0.8524 0.7891 0.8524 0.8463 0.1381 0.6889 0.7820 0.6046 0.4902 0.5044 0.5258 0.6678 0.5585 0.3774 0.6225 0.1603 0.1271 0.6655 0.6517 0.7398 0.7654 0.8514 0.2811 0.7666 0.4019 0.7834 0.5213 0.6808 0.8505 0.7937 0.8531 0.8418 0.5510 0.6691 0.5373 0.4636 0.6890 0.8571 0.6702 0.2805 0.6099 0.4982 0.3424 0.7038 0.4335 0.4829 0.5279 0.4965 0.6158 0.7028 0.7877 0.5427 0.5058 0.8407 0.1897 0.5218 0.8537 0.8245 0.3233 0.7199 0.2003 0.5907 0.8567 0.3923 0.3632 0.3299 0.4628 0.2985 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 6 6 6 6 6 6 6 6 8 6 8 6 6 6 8 7 6 1 6 6 6 6 6 6 7 8 8 6 6 6 6 6 8 8 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 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 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 11274.3178 16390.5605 22420.2990 0.99999 0.00472 -0.00063 -0.00472 0.99998 -0.00431 0.00061 0.00431 0.99999 1 0.00768 0.00528 0.00386 0.16008 0.11011 0.08050 20.79 26.20 37.30 45.48 62.60 71.11 81.34 93.66 95.50 111.14 140.77 163.32 181.44 201.78 242.07 296.67 348.58 372.97 388.58 402.75 416.07 459.80 470.56 486.78 518.17 535.60 560.31 591.51 662.72 683.53 693.76 714.89 798.13 817.73 824.01 831.28 906.41 915.60 927.60 951.86 963.50 990.31 993.18 1003.04 1070.22 1083.30 1141.78 1167.78 1196.41 1202.65 1211.40 1224.44 1226.75 1254.93 1272.52 1286.31 1304.40 1319.18 1322.66 1358.53 1373.46 1383.57 1390.10 1399.71 1400.02 1403.05 1426.70 1463.10 1472.64 1505.46 1516.82 1570.54 1582.05 1584.51 1596.78 1599.33 1602.33 1605.45 1696.50 1737.05 1742.04 1756.06 1765.17 1779.60 1811.10 1833.02 1862.00 1872.63 1878.64 1886.74 1897.86 1930.06 1940.92 1948.34 1970.59 1995.89 2008.50 2033.96 2071.67 2095.50 2100.93 2149.02 2194.76 2216.53 2247.41 2281.54 2293.24 2327.50 2339.24 2342.68 2359.49 2404.29 2456.08 2539.64 2542.70 2572.85 2585.67 2595.09 2602.78 2607.91 2659.61 2810.69 2850.19 4620.71 4631.26 4735.88 4816.59 4839.15 4858.03 4873.31 4874.51 4896.69 4930.41 4939.40 4941.88 4950.21 4991.08 5004.59 0.377035 0.401708 0.402652 0.317362 -1550.026836 -1550.002163 -1550.001219 -1550.086510 2.860674D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE c1ccc2c(c1)cc(o2)C(=O)C3=C(C(=O)N([C@H]3c4ccc(cc4)[N+](=O)[O-])Cc5ccco5)[O-] C33378752 RHF 6-31G(d) (6D,10F) C1 443.087926 |X|Y|Z| 86.262553 67.919213 39.635209 61.465587 27 6 7 8 24 1 2 |36.858105| |13.624556|36.858105| |7.866257|13.779894|36.858105| |6.981477|8.090012|13.780651|36.858105| |7.983067|6.874052|7.804578|13.704076|36.858105| |13.794135|7.872254|6.741309|7.945341|13.672870|36.858105| |5.004377|4.563889|5.312007|8.478176|13.187434|7.234991|36.858105| |4.202035|4.234095|5.401615|8.733056|8.539389|5.270711|14.225750|36.858105| |4.689018|5.239643|7.830565|14.169341|8.486666|5.375486|8.535955|13.945055|73.516695| |3.151752|3.189695|3.885836|5.256430|5.126597|3.751897|7.444521|12.593596|13.493020|36.858105| |2.896454|2.837678|3.297089|4.294121|4.533859|3.494176|6.711294|8.336201|9.656073|15.690007|73.516695| |2.754845|2.886975|3.549678|4.447751|4.027018|3.113014|5.030679|7.489120|11.376911|13.400615|14.383147|36.858105| |2.296151|2.390317|2.837765|3.367130|3.132295|2.549927|3.778151|4.935582|7.810564|7.621425|11.523406|13.429253|36.858105| |2.113052|2.245136|2.664025|3.020469|2.729977|2.278545|3.104811|3.921101|6.806560|5.097824|7.691167|8.074933|12.379311|36.858105| |1.871855|1.983440|2.308254|2.554286|2.335897|1.996888|2.609132|3.161366|5.528721|3.925724|6.273369|5.413753|7.743763|15.908913|73.516695| |2.311577|2.506041|3.041710|3.420583|2.980388|2.465369|3.302597|4.253329|7.857187|5.122540|7.252783|8.172788|8.153737|13.995411|14.902300|53.358707| |2.791155|3.039249|3.837998|4.570256|3.851991|3.035514|4.358488|6.135787|11.588766|7.246079|9.031633|12.524833|7.903809|8.063774|9.655874|17.769827|36.858105| |3.026793|3.418480|4.519978|5.252944|4.104654|3.217278|4.386573|6.182581|13.837235|6.323298|8.061505|8.692036|6.032539|6.240108|8.247000|12.510023|17.553241|0.500000| |2.889333|3.111415|3.836170|4.509671|3.915745|3.141844|4.325487|5.582482|10.359338|5.822621|7.816005|7.427434|5.396791|5.467962|7.431302|10.542049|12.433968|0.249101|36.858105| |3.251421|3.611000|4.507103|5.019231|4.174530|3.421291|4.218837|5.096302|10.521162|4.626810|6.481542|5.176011|3.968703|4.045218|5.885435|7.357144|7.494810|0.205660|13.729575|36.858105| |3.104941|3.352903|3.892987|4.164675|3.717898|3.229471|3.678563|4.069582|7.898286|3.699905|5.513189|3.930894|3.213848|3.260763|4.951887|5.532160|4.982765|0.133752|7.883752|13.757618|36.858105| |2.688370|2.793497|3.136762|3.428249|3.242565|2.859077|3.358742|3.638636|6.557654|3.499699|5.394078|3.718792|3.158955|3.185767|4.900502|5.195270|4.431989|0.111699|6.886428|8.014188|13.808373|36.858105| |2.468318|2.536073|2.873352|3.241030|3.109430|2.685493|3.404020|3.790212|6.489933|3.925461|6.078538|4.318688|3.737361|3.740819|5.671698|5.989179|4.994190|0.116638|7.895043|6.877182|7.883761|13.715170|36.858105| |2.545640|2.648563|3.102713|3.605991|3.368726|2.798550|3.822737|4.579315|7.738685|5.081442|7.444398|6.143925|5.081555|5.062207|7.183411|8.492805|7.494776|0.155527|13.647031|7.958721|6.862709|8.000962|13.843249|36.858105| |2.459719|2.513558|2.708220|2.874930|2.795866|2.577170|2.837024|2.943941|5.274174|2.816784|4.507554|2.915095|2.567658|2.586394|4.106843|4.054418|3.313174|0.085872|4.516518|5.141561|7.802402|13.123727|7.771503|5.138641|53.358707| |2.532327|2.604600|2.750885|2.828750|2.735495|2.586689|2.680384|2.739303|5.029736|2.554640|4.096960|2.613290|2.300720|2.323317|3.719270|3.640358|2.974981|0.079685|3.889238|4.674251|7.074299|8.368610|5.407812|4.091487|21.651868|73.516695| |2.192358|2.208344|2.357102|2.520594|2.498161|2.317913|2.586458|2.663400|4.653169|2.618584|4.289091|2.705094|2.447700|2.456165|3.954725|3.742422|2.976317|0.076037|3.890169|4.095817|5.424971|8.373142|7.056447|4.676168|21.672197|16.043746|73.516695| |2.139085|2.354517|2.820970|3.014304|2.604576|2.220497|2.762958|3.390224|6.539625|3.762878|5.575754|5.120549|5.124209|7.801757|12.034460|18.007462|7.465849|0.192688|6.000087|4.933450|3.881613|3.586497|3.920054|4.992672|3.918219|4.686305|4.697972|36.858105| |2.016719|2.200273|2.573247|2.713955|2.395332|2.082833|2.516056|2.977336|5.651941|3.220976|4.897265|4.113317|4.060435|5.498511|9.048644|10.446627|5.642363|0.142116|5.732320|4.960254|4.222002|4.058858|4.432227|5.286452|4.457236|5.262511|5.358821|12.710609|36.858105| |1.997266|2.195107|2.533694|2.597596|2.289855|2.028483|2.342845|2.701245|5.218318|2.799462|4.302848|3.379230|3.229114|4.002595|6.669618|7.104360|4.491123|0.120113|4.948784|4.865412|4.445919|4.188849|4.228020|4.573395|4.750165|5.754399|5.603911|7.323139|14.189290|36.858105| |1.814334|1.956357|2.204848|2.272309|2.060820|1.851628|2.122698|2.391046|4.481485|2.494802|3.931964|2.936076|2.866748|3.446352|5.904506|5.650310|3.649419|0.094852|4.150240|4.035763|4.008192|4.113790|4.230805|4.251414|4.929767|5.875019|6.042420|5.130785|8.559182|13.222987|36.858105| |1.752055|1.865256|2.102883|2.213178|2.034495|1.814625|2.143049|2.427178|4.429922|2.616294|4.161823|3.133875|3.172281|3.899493|6.816600|6.149757|3.787054|0.094326|4.215337|3.796008|3.687030|3.959980|4.441245|4.612450|4.687458|5.404745|5.967014|5.329023|8.779232|8.613042|14.235232|36.858105| |1.851179|1.978775|2.270387|2.425640|2.206334|1.932912|2.358725|2.744139|5.000304|3.047468|4.769208|3.840787|3.993323|5.341271|9.287341|8.703072|4.781922|0.114871|4.999672|4.173820|3.768483|3.916189|4.562751|5.306731|4.414093|5.081118|5.529958|7.835913|14.174585|8.656633|8.635226|14.183303|73.516695| |2.105972|2.157058|2.498534|2.934240|2.821400|2.347115|3.417359|4.200911|6.496187|6.241266|11.240793|7.884879|15.806968|7.986301|11.759198|7.494289|5.286270|0.122682|4.098080|3.208549|2.717060|2.718787|3.190649|4.065877|3.106635|3.655682|3.936500|3.991713|3.327953|2.729366|2.495103|2.774259|6.007803|73.516695| |17.706815|8.900103|5.626297|5.007417|5.661691|8.943872|4.025136|3.424949|6.591226|2.695691|4.494300|2.388978|2.036379|1.888529|3.010114|2.787285|2.415677|0.071942|2.508606|2.801496|2.741283|2.420701|2.221135|2.257525|3.089962|4.197847|3.633367|1.916024|1.824739|1.819604|1.670923|1.612050|3.000717|3.358718|0.500000| |8.892228|17.708953|8.949533|5.708726|4.952088|5.627245|3.630671|3.456155|7.456698|2.738046|4.374464|2.544129|2.154699|2.060799|3.278678|3.127062|2.710877|0.084644|2.773933|3.227302|3.054775|2.558817|2.309390|2.386640|3.192634|4.384536|3.673977|2.206333|2.079022|2.101960|1.877763|1.774612|3.317956|3.475997|0.215827|0.500000| |5.593717|8.843860|17.727611|8.876639|5.584149|4.884169|4.344941|4.720360|12.359978|3.638759|5.437759|3.505012|2.841121|2.750143|4.254750|4.354059|3.964614|0.135437|3.876435|4.619155|3.889388|3.083055|2.819789|3.070655|3.606102|4.799458|4.087758|3.050462|2.752548|2.732865|2.329319|2.193566|4.224336|4.404128|0.123508|0.213302|0.500000| |8.903994|5.609298|4.882808|5.635864|8.854324|17.710922|6.379626|4.546989|7.704239|3.436962|5.930088|2.838974|2.377300|2.112035|3.320061|3.060040|2.713785|0.078101|2.819649|3.002386|2.899154|2.653944|2.522515|2.594356|3.323465|4.340595|3.972659|2.024389|1.915255|1.863214|1.724531|1.702232|3.205440|3.959874|0.214946|0.123839|0.106345|0.500000| |4.286806|3.781052|4.144155|5.787024|8.388245|6.104624|17.829992|8.911512|10.405509|6.594402|12.416738|4.490387|3.564106|2.891154|4.385648|4.063855|3.771312|0.102049|3.778910|3.601628|3.262917|3.110068|3.217509|3.543138|3.663075|4.487111|4.463253|2.505647|2.311494|2.149872|1.983214|2.023875|3.934010|5.956118|0.100922|0.086570|0.097335|0.170351|0.500000| |3.562482|4.175334|5.536487|5.827890|4.439068|3.628379|4.235530|5.147868|12.028677|4.428221|6.187749|4.856230|3.732371|3.818213|5.619873|6.896166|6.970465|0.228759|8.930687|17.739563|8.963226|5.688989|4.955930|5.654139|5.680926|7.164572|6.052854|4.804872|4.554659|4.541976|3.649139|3.367017|6.598566|5.405906|0.084001|0.103698|0.167234|0.086079|0.097761|0.500000| |3.232979|3.539431|3.985621|4.023830|3.587375|3.244031|3.382060|3.609345|7.174309|3.197989|4.864807|3.314996|2.765096|2.807193|4.354896|4.652592|4.065363|0.114275|5.618665|8.880582|17.785215|8.944219|5.630675|4.952035|9.794606|14.140737|8.831549|3.367901|3.638827|3.976722|3.617930|3.239975|5.755852|4.238373|0.080137|0.091400|0.111247|0.080558|0.083456|0.214924|0.500000| |2.223710|2.252076|2.498190|2.794585|2.746132|2.421637|3.023189|3.276243|5.499771|3.459358|5.587925|3.737817|3.400095|3.385894|5.293174|5.143378|4.072827|0.096334|5.621576|4.959676|5.635394|8.917441|17.786371|8.916123|9.762393|8.808953|14.094330|3.410688|3.880862|3.710074|3.919164|4.266494|7.514483|5.347571|0.056357|0.057419|0.067852|0.064357|0.081689|0.107668|0.124267|0.500000| |2.325948|2.395142|2.777494|3.237012|3.082565|2.573951|3.595566|4.307855|6.987455|5.226660|7.952961|6.600334|6.025378|5.859493|8.241909|8.858054|6.995851|0.140919|8.917358|5.661558|4.949455|5.675604|8.970173|17.752394|5.671068|6.042946|7.154417|4.911786|5.032259|4.140013|3.942638|4.545188|9.696836|8.598136|0.057726|0.060181|0.076267|0.067189|0.095201|0.124368|0.107556|0.214916|0.500000| |2.273555|2.559416|3.117054|3.244737|2.720490|2.322437|2.807875|3.444884|6.995456|3.640805|5.344901|4.736229|4.449368|5.961190|9.243967|12.475085|7.033859|0.214919|5.686106|5.158966|3.964898|3.480377|3.611137|4.435017|3.829004|4.690319|4.508309|17.540826|9.061766|6.957640|4.662214|4.460844|10.229342|6.284726|0.056318|0.067039|0.096550|0.058101|0.069591|0.150805|0.098056|0.086394|0.115978|0.500000| |1.942917|2.123277|2.502833|2.656083|2.332174|2.013119|2.478760|2.989303|5.660514|3.362215|5.147091|4.456644|4.836490|7.715725|14.316409|12.753670|5.662758|0.149002|4.564381|3.860576|3.183863|3.009435|3.295594|4.050164|3.404461|4.101724|4.159926|17.609219|9.012466|5.892967|4.523459|4.854132|12.397640|7.021608|0.048761|0.055678|0.074891|0.051425|0.063312|0.105763|0.078595|0.082477|0.115440|0.301414|0.500000| |2.084510|2.330200|2.698089|2.695605|2.336964|2.083695|2.338627|2.682170|5.330059|2.699686|4.133989|3.188395|2.976156|3.577695|5.917959|6.323091|4.246287|0.120368|4.628299|4.935042|4.502320|3.989145|3.808662|4.057213|4.589522|5.765947|5.295274|6.348575|8.829728|17.792544|8.437392|5.859413|10.473631|4.492742|0.052735|0.062611|0.082487|0.052734|0.059036|0.135891|0.116822|0.092042|0.100261|0.194209|0.143949|0.500000| 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