Version2.0 2020-07-18T04:22:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCOc1ccc(cc1)[C@@H]2CC3=C([C@H](Nc4ccccc4N3)c5ccc(c(c5)[N+](=O)[O-])O)C(=O)C2 C21228667 RHF 6-31G(d) (6D,7F) CCCOc1ccc(cc1)[C@@H]2CC3=C([C@H](Nc4ccccc4N3)c5ccc(c(c5)[N+](=O)[O-])O)C(=O)C2 C01[X(C28H27N3O5)] 183 C1 594 CCCOc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(c(c1)[N+](=O)[O-])O CCCOc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(c(c1)[N+](=O)[O-])O CCCOc1ccc(cc1)[C@H]2CC(=O)C3=C(C2)Nc4ccccc4N[C@@H]3c5ccc(O)c(c5)[N+]([O-])=O InChIKey=QIIMVWGHLSNHOS-WHLCRQNOSA-N InChI=1S/C28H27N3O5/c1-2-13-36-20-10-7-17(8-11-20)19-14-23-27(26(33)16-19)28(30-22-6-4-3-5-21(22)29-23)18-9-12-25(32)24(15-18)31(34)35/h3-12,15,19,28-30,32H,2,13-14,16H2,1H3/t19-,28-/m1/s1 InChI=1/C28H27N3O5/c1-2-13-36-20-10-7-17(8-11-20)19-14-23-27(26(33)16-19)28(30-22-6-4-3-5-21(22)29-23)18-9-12-25(32)24(15-18)31(34)35/h3-12,15,19,28-30,32H,2,13-14,16H2,1H3/t19-,28-/m1/s1 CCCOc1ccc(cc1)[C@@H]2CC3=C([C@H](Nc4ccccc4N3)c5ccc(c(c5)[N+](=O)[O-])O)C(=O)C2 C01[X(C28H27N3O5)] 183 C01 594 CCCOc1ccc(cc1)[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(c(c1)[N+](=O)[O-])O CCCO[C]1[CH][CH][C]([CH][CH]1)[C@H]1CC(=O)C2=C(C1)N[C]1[CH][CH][CH][CH][C]1N[C@@H]2[C]1[CH][CH][C]([C]([CH]1)[N]([O])[O])O CCCO[C]1[CH][CH][C]([CH][CH]1)[C@H]2CC(=O)C3=C(C2)N[C]4[CH][CH][CH][CH][C]4N[C@@H]3[C]5[CH][CH][C](O)[C]([CH]5)N([O])[O] InChIKey=QIIMVWGHLSNHOS-WHLCRQNOSA-N InChI=1S/C28H27N3O5/c1-2-13-36-20-10-7-17(8-11-20)19-14-23-27(26(33)16-19)28(30-22-6-4-3-5-21(22)29-23)18-9-12-25(32)24(15-18)31(34)35/h3-12,15,19,28-30,32H,2,13-14,16H2,1H3/t19-,28-/m1/s1 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485.19507 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 12.5209 18.3414 19.1415 25.0567 40.6202 42.1247 58.8099 62.9509 67.6865 82.6557 93.8409 113.8369 123.8342 137.0654 138.7478 149.4960 169.1847 169.6685 178.4299 197.2504 233.2647 253.6099 257.4387 294.0204 315.9522 327.1242 336.9314 350.1229 350.5249 359.5360 406.6598 417.4512 431.0351 450.4932 462.8560 465.3868 476.9654 484.3864 493.6054 503.5093 516.5788 540.7658 550.0901 587.4210 598.4921 602.3272 616.1723 624.6194 631.4851 648.2469 659.7277 664.6906 671.8324 699.1501 707.5700 732.0126 735.2928 758.5220 792.6892 803.2544 810.0263 813.7194 829.3517 832.2637 848.5193 874.2560 884.7643 896.7595 909.2382 924.0932 928.7178 936.1423 947.8149 949.1039 966.1289 969.3307 982.8992 986.0697 988.9471 1021.7726 1025.0672 1052.6100 1054.9416 1072.9320 1084.4324 1093.1623 1100.6070 1108.7301 1116.7721 1117.8991 1147.1490 1163.3193 1174.9111 1181.1810 1196.8076 1204.8560 1210.5486 1220.3587 1230.6508 1242.8426 1244.6213 1247.4454 1264.7099 1276.8513 1279.8182 1303.5505 1307.0521 1309.0002 1328.3988 1339.0545 1345.7374 1357.1861 1367.2631 1386.9060 1394.5456 1403.7823 1416.1606 1425.9041 1428.1244 1432.5397 1443.6463 1450.1583 1461.7967 1471.1828 1476.8965 1488.9984 1494.8211 1518.2817 1524.5178 1556.1742 1567.4222 1571.6399 1587.4845 1595.1931 1598.1330 1612.4792 1621.3718 1628.4893 1638.5720 1645.1878 1655.0749 1663.1735 1675.7208 1680.5178 1688.9303 1700.2504 1714.7535 1775.0590 1775.1786 1795.0444 1802.1040 1811.7436 1823.0246 1833.2153 1866.8041 1944.8885 3193.0099 3198.3669 3200.9195 3202.1627 3213.7662 3221.5873 3229.6083 3242.2653 3247.0810 3273.9871 3274.1945 3287.0621 3293.1315 3346.9755 3355.6294 3357.2752 3357.4597 3374.9741 3390.2451 3392.1905 3393.4888 3405.1904 3407.2684 3427.4747 3801.6158 3872.5693 3991.9348 7.8256 4.4695 5.6872 3.6413 6.3442 5.0632 5.0167 7.1326 6.5404 5.5268 1.7712 3.7967 3.6173 5.5037 5.8551 3.1031 4.9491 4.6756 5.4231 5.8443 4.3955 1.6094 2.1993 5.6770 5.6389 4.3984 4.1623 5.0597 4.1211 5.0625 5.7028 7.3563 4.2123 5.0523 7.9181 3.0401 3.7642 1.2862 4.2062 2.4980 4.6247 4.2128 3.0179 4.4751 3.6251 4.0197 5.1852 3.7096 4.3774 2.5207 2.0678 1.8798 4.6431 6.2023 5.0834 3.2688 4.0299 5.7745 4.2451 2.9347 4.3341 3.6792 1.0852 4.2329 1.3655 9.8166 4.0872 4.6349 4.1704 6.6803 1.3110 3.4629 1.6421 1.6179 1.7267 1.7019 2.9390 1.7414 1.1385 2.7314 4.8183 1.4807 1.4576 1.4080 4.5325 1.3411 1.3054 2.8218 1.3585 2.6906 2.5727 2.3936 4.1806 3.6289 2.8868 2.0248 3.2050 2.9394 2.1270 2.2105 2.2620 1.8150 2.0114 1.8460 1.8765 1.6001 1.1984 2.0926 2.0000 2.8939 2.5739 1.5844 2.5643 1.4964 1.2034 1.6120 1.6916 2.1592 2.1060 2.3370 2.7562 1.0758 1.6793 1.3731 1.8407 1.3855 1.4254 1.4550 1.6094 2.0531 1.2439 3.3586 1.4946 1.9335 1.9788 1.1037 3.3614 1.1234 1.0525 1.0409 1.1054 1.7911 1.1706 3.5130 2.3430 2.2418 2.0719 5.4951 5.4581 5.4993 6.7688 4.8568 5.4653 3.5680 8.6522 11.8147 1.0530 1.0695 1.0711 1.0406 1.0781 1.0619 1.1076 1.1013 1.1049 1.1023 1.1050 1.0865 1.0955 1.0895 1.0902 1.0902 1.0902 1.0929 1.0894 1.0985 1.0948 1.0930 1.0961 1.0922 1.0759 1.0771 1.0651 0.0007 0.0009 0.0012 0.0013 0.0062 0.0053 0.0102 0.0167 0.0177 0.0222 0.0092 0.0290 0.0327 0.0609 0.0664 0.0409 0.0835 0.0793 0.1017 0.1340 0.1409 0.0610 0.0859 0.2892 0.3317 0.2773 0.2784 0.3654 0.2983 0.3856 0.5556 0.7553 0.4611 0.6041 0.9995 0.3879 0.5045 0.1778 0.6038 0.3731 0.7271 0.7258 0.5380 0.9098 0.7650 0.8592 1.1599 0.8527 1.0285 0.6241 0.5303 0.4893 1.2348 1.7862 1.4995 1.0320 1.2837 1.9575 1.5716 1.1156 1.6755 1.4353 0.4398 1.7275 0.5792 4.4207 1.8851 2.1961 2.0313 3.3611 0.6662 1.7880 0.8691 0.8587 0.9496 0.9422 1.6729 0.9976 0.6560 1.6802 2.9829 0.9666 0.9557 0.9550 3.1405 0.9442 0.9316 2.0438 0.9982 1.9811 1.9947 1.9085 3.4002 2.9830 2.4362 1.7318 2.7673 2.5792 1.8979 2.0118 2.0645 1.6641 1.8956 1.7732 1.8109 1.6020 1.2063 2.1126 2.0794 3.0572 2.7464 1.7194 2.8244 1.6959 1.3789 1.8717 1.9988 2.5866 2.5306 2.8256 3.3845 1.3330 2.1143 1.7511 2.3656 1.8099 1.8766 1.9762 2.2039 2.9294 1.8005 4.8879 2.2192 2.8988 2.9776 1.6909 5.2063 1.7553 1.6649 1.6599 1.7840 2.9191 1.9367 5.8454 3.9377 3.8183 3.5894 10.2012 10.1338 10.4402 12.9516 9.3928 10.7016 7.0648 17.7654 26.3307 6.3252 6.4461 6.4656 6.2867 6.5604 6.4937 6.8069 6.8208 6.8638 6.9614 6.9797 6.9165 6.9996 7.1907 7.2325 7.2400 7.2409 7.3346 7.3771 7.4473 7.4283 7.4672 7.4977 7.5599 9.1614 9.5173 10.0001 0.3429 0.1728 0.5299 0.0420 0.5967 0.2178 0.1853 0.1359 0.1592 1.1798 0.0970 3.4979 0.4569 1.3718 1.7052 2.2841 0.5240 2.9115 1.7121 1.6780 3.2034 1.5645 1.8203 3.7830 2.3586 0.3448 1.4189 2.6964 0.8110 0.6843 4.4251 7.6475 4.1148 8.6263 3.8553 0.0394 0.5750 81.2057 5.7795 6.3899 2.0743 0.7393 0.8803 11.8799 17.0009 25.8824 7.2626 15.8396 4.7362 79.4937 50.9047 30.6194 11.4737 2.4766 11.6536 11.7286 20.0722 17.8844 11.8485 41.8268 31.1008 19.7062 1.6497 8.2988 80.0290 25.7398 45.4812 0.8182 5.2637 23.5471 5.9926 7.4266 13.3807 71.5872 9.5296 2.7337 6.7093 9.5844 6.2114 1.8340 25.8914 3.0318 7.0771 0.9158 22.5012 0.2025 0.0828 0.4636 1.5613 3.5030 0.3286 19.0350 23.3071 74.0774 54.3475 21.0062 8.6106 15.2044 19.3000 6.5144 5.6344 82.9638 9.3259 75.6391 108.9350 2.6342 42.6307 8.0295 1.6132 1.6930 6.2007 69.4749 56.3374 96.8651 0.6971 42.5776 149.1493 270.4987 307.9076 103.6761 57.8808 0.2101 5.5463 7.2185 139.9228 13.9519 90.1675 27.6653 64.4407 97.9894 6.6329 183.8168 52.3638 9.1459 20.0250 2.8124 196.7967 8.5936 0.7407 5.9309 4.7379 212.1812 84.3571 244.9366 127.2763 150.8359 458.9646 36.1506 59.9526 76.7830 117.3993 11.0530 91.4767 156.3146 410.4046 321.2861 8.4761 8.7264 12.3806 55.8116 23.0064 23.9699 21.9971 30.9180 0.2329 65.7931 92.1607 6.7912 14.2831 15.8975 4.1772 19.8496 23.9704 20.7089 9.0224 28.5642 10.5327 14.8060 6.3859 2.7874 6.2012 46.3284 293.9095 2.8006 1.2684 1.7435 3.1493 6.4165 6.0476 2.2752 2.0497 1.2729 1.7927 0.8816 0.2691 1.5580 1.3254 0.9788 0.8299 3.7087 2.3885 0.7318 1.5546 2.2231 0.6832 1.2862 1.5112 0.9335 0.6989 3.0402 0.8071 1.2083 2.1373 1.5376 0.1953 2.3368 2.7372 1.5752 0.0510 0.7356 1.7719 1.1976 2.5848 2.9466 1.0723 0.6374 4.5608 1.8181 0.7680 1.5168 4.5253 1.5603 0.7910 2.2518 1.2645 4.9473 5.1624 8.3804 8.0766 3.5368 3.9611 1.4596 3.9019 3.5639 2.0176 0.1695 2.0721 1.0078 1.9679 2.8220 1.8660 6.4555 30.3581 1.9043 16.2097 2.9656 2.0082 3.4032 3.2221 1.6160 16.2530 0.1354 5.6300 1.2071 0.5045 1.2624 1.5559 20.6271 0.2133 0.1084 0.9672 0.7719 8.0189 6.5333 16.8748 3.8934 10.3063 5.0295 1.7939 30.7779 4.0350 1.7633 3.0416 9.7040 12.5385 4.6626 2.2390 2.9293 2.2880 7.9541 6.9225 13.2695 19.4140 36.8127 15.3534 57.8199 3.8801 0.1638 1.1605 16.5112 6.4344 28.9951 25.8075 25.5961 25.1938 10.6569 2.2893 7.6877 11.0461 23.1478 20.5568 2.6228 1.2391 1.8393 96.6105 2.4454 5.8434 7.4876 16.1892 85.5601 11.6859 31.2233 21.7596 0.4035 17.2750 9.4682 17.3843 2.9816 1.4055 22.7104 25.1914 19.2365 61.3830 22.3337 70.8616 107.0768 69.3558 8.9709 44.8683 13.9523 110.3335 22.9121 155.8909 21.8455 80.5247 78.0945 46.4470 65.9168 95.6067 36.4968 38.0421 87.9205 41.6534 69.7471 53.3581 50.4795 80.2166 41.0325 255.5636 141.2501 93.4659 78.4657 35.2454 58.3295 78.0935 63.3906 0.7479 0.7394 0.7346 0.7479 0.7467 0.7331 0.6518 0.6428 0.7206 0.5817 0.7274 0.2447 0.7472 0.2999 0.7461 0.1846 0.7424 0.3436 0.7136 0.6706 0.6955 0.4446 0.3840 0.6215 0.2273 0.7500 0.7490 0.7498 0.5292 0.5764 0.6333 0.7459 0.1886 0.5179 0.7468 0.7422 0.5806 0.3815 0.4914 0.6108 0.5101 0.6429 0.7466 0.2729 0.2803 0.6981 0.2052 0.1056 0.1957 0.7477 0.3922 0.5974 0.2282 0.2906 0.3788 0.3881 0.6557 0.6065 0.4097 0.1220 0.0695 0.7430 0.7494 0.2078 0.1600 0.7500 0.2996 0.1191 0.1288 0.1135 0.5429 0.2325 0.5547 0.7397 0.7326 0.3498 0.6072 0.2249 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0.2267 0.3328 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 62 63 6 6 6 8 6 6 6 6 6 6 6 1 6 6 6 6 1 7 6 6 6 6 6 6 7 6 6 6 6 6 6 7 8 8 8 6 8 6 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 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 15.99491 12.00000 15.99491 12.00000 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 9646.3718 43859.8374 48603.9450 0.99992 -0.01083 0.00602 0.01084 0.99994 -0.00148 -0.00600 0.00155 0.99998 1 0.00898 0.00197 0.00178 0.18709 0.04115 0.03713 18.01 26.39 27.54 36.05 58.44 60.61 84.61 90.57 97.39 118.92 135.02 163.79 178.17 197.21 199.63 215.09 243.42 244.12 256.72 283.80 335.62 364.89 370.40 423.03 454.58 470.66 484.77 503.75 504.33 517.29 585.09 600.62 620.16 648.16 665.95 669.59 686.25 696.92 710.19 724.44 743.24 778.04 791.46 845.17 861.10 866.61 886.53 898.69 908.57 932.68 949.20 956.34 966.62 1005.92 1018.04 1053.20 1057.92 1091.34 1140.50 1155.70 1165.45 1170.76 1193.25 1197.44 1220.83 1257.86 1272.98 1290.24 1308.19 1329.56 1336.22 1346.90 1363.69 1365.55 1390.04 1394.65 1414.17 1418.73 1422.87 1470.10 1474.84 1514.47 1517.83 1543.71 1560.26 1572.82 1583.53 1595.22 1606.79 1608.41 1650.49 1673.76 1690.44 1699.46 1721.94 1733.52 1741.71 1755.82 1770.63 1788.17 1790.73 1794.80 1819.64 1837.10 1841.37 1875.52 1880.56 1883.36 1911.27 1926.60 1936.22 1952.69 1967.19 1995.45 2006.44 2019.73 2037.54 2051.56 2054.75 2061.11 2077.09 2086.45 2103.20 2116.70 2124.92 2142.34 2150.71 2184.47 2193.44 2238.99 2255.17 2261.24 2284.04 2295.13 2299.36 2320.00 2332.79 2343.03 2357.54 2367.06 2381.28 2392.94 2410.99 2417.89 2429.99 2446.28 2467.15 2553.91 2554.09 2582.67 2592.83 2606.69 2622.93 2637.59 2685.91 2798.26 4594.03 4601.74 4605.41 4607.20 4623.89 4635.15 4646.69 4664.90 4671.83 4710.54 4710.84 4729.35 4738.08 4815.55 4828.00 4830.37 4830.64 4855.84 4877.81 4880.61 4882.47 4899.31 4902.30 4931.37 5469.68 5571.76 5743.50 0.548539 0.577586 0.578531 0.484162 -1613.024109 -1612.995062 -1612.994118 -1613.088486 3.165118D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE CCCOc1ccc(cc1)[C@@H]2CC3=C([C@H](Nc4ccccc4N3)c5ccc(c(c5)[N+](=O)[O-])O)C(=O)C2 C21228667 RHF 6-31G(d) (6D,10F) C1 485.195071 |X|Y|Z| 63.121422 39.132488 150.197886 71.855390 27 6 7 25 2 |36.858105| |12.466609|36.858105| |7.536668|12.547670|36.858105| |5.100854|8.063217|13.557003|73.516695| |3.887425|5.223106|7.977082|25.138055|36.858105| |3.145292|4.082951|5.246463|14.576206|13.694127|36.858105| |2.615118|3.196984|3.979641|9.417025|7.933195|13.820747|36.858105| |2.510671|2.959641|3.759929|8.149439|6.776329|7.868414|13.666802|36.858105| |2.852160|3.333168|4.496565|9.239532|7.936885|6.921793|8.029053|13.746547|36.858105| |3.596955|4.391339|6.684871|13.978764|13.739387|7.955000|6.902261|7.849654|13.717749|36.858105| |2.098955|2.395602|2.902064|5.968948|4.399325|5.002890|7.533680|12.540190|7.481455|4.973390|36.858105| |1.977841|2.267450|2.681375|5.590845|4.003237|4.843189|7.452182|9.007007|5.605661|4.195124|17.532636|0.500000| |1.972642|2.211730|2.645156|5.276701|3.729664|4.035707|5.371649|7.530765|5.975411|4.266109|12.462128|0.249596|36.858105| |1.709194|1.882983|2.191277|4.280515|2.891492|3.107252|3.913189|4.888494|4.155995|3.220090|7.462115|0.188708|12.546321|36.858105| |1.616921|1.771098|2.044984|3.969578|2.651411|2.843516|3.538882|4.337400|3.731734|2.936742|6.562896|0.174325|7.593050|14.122650|36.858105| |1.433555|1.553272|1.759858|3.376147|2.193646|2.337946|2.798897|3.239007|2.882136|2.383062|4.354577|0.121870|4.824773|7.446937|12.576005|36.858105| |1.403046|1.523857|1.717216|3.309482|2.141735|2.306177|2.760311|3.124444|2.746331|2.294995|4.147036|0.120840|4.238035|5.831685|9.178507|17.639384|0.500000| |1.356795|1.469107|1.647675|3.164270|2.032813|2.180310|2.578560|2.887568|2.566915|2.170590|3.726268|0.107327|4.309572|6.481828|7.675488|12.993913|0.260681|53.358707| |1.342873|1.445518|1.619103|3.082446|1.967967|2.081564|2.422412|2.718157|2.476725|2.113635|3.389742|0.094526|4.158006|6.086083|6.034139|7.694914|0.159475|18.500967|36.858105| |1.231543|1.314460|1.456797|2.747059|1.727107|1.810514|2.060761|2.272618|2.112024|1.843495|2.719978|0.075757|3.214053|4.238723|4.263782|5.361640|0.123229|10.643559|13.696545|36.858105| |1.205729|1.279678|1.412582|2.644041|1.648929|1.711813|1.920076|2.106558|1.990809|1.760262|2.450962|0.067445|2.921304|3.645536|3.491291|4.007401|0.094665|6.998128|7.869149|13.780377|36.858105| |1.280308|1.359344|1.507153|2.816633|1.760637|1.817176|2.033871|2.245148|2.139234|1.890138|2.587503|0.070165|3.191915|3.896447|3.505522|3.730256|0.087333|6.180544|6.815785|7.967529|13.763250|36.858105| |1.407304|1.506104|1.689649|3.181854|2.018223|2.090975|2.378041|2.672158|2.523137|2.186203|3.144195|0.084231|4.117103|5.199170|4.318106|4.312527|0.097826|7.033099|7.918518|6.939647|7.976933|13.785008|36.858105| |1.448551|1.563699|1.766568|3.366634|2.166979|2.280192|2.664031|3.037616|2.782212|2.350814|3.781221|0.102461|5.079156|7.539370|6.103093|6.135386|0.130164|10.720634|13.685181|7.964781|6.851924|7.891204|13.707373|36.858105| 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|1.236551|1.294974|1.443446|2.650480|1.657835|1.675190|1.869510|2.126060|2.087766|1.826632|2.477144|0.065473|2.641723|3.145343|3.668847|4.364111|0.110933|5.074461|3.646368|3.595553|3.177823|2.911741|2.949636|3.257183|4.085319|6.716514|7.904017|13.637283|36.858105| |1.218828|1.284582|1.428603|2.647395|1.659429|1.698911|1.911168|2.154543|2.072915|1.808857|2.546070|0.068682|2.657059|3.208706|3.912440|4.997366|0.134586|5.648392|3.779847|3.674652|3.102362|2.779580|2.831581|3.232508|4.087839|7.883832|6.946735|7.993532|13.644779|36.858105| |1.278575|1.360620|1.521026|2.852491|1.807386|1.876228|2.149844|2.436530|2.288398|1.964964|2.981099|0.081470|3.114389|3.942727|5.165643|7.589417|0.208371|7.708338|4.687573|4.273298|3.401858|3.032328|3.177083|3.834350|4.887621|13.887458|8.045102|6.909595|7.826249|13.621745|36.858105| 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|1.176759|1.222307|1.353705|2.463475|1.524964|1.528167|1.681247|1.893423|1.884536|1.676134|2.150274|0.056813|2.275589|2.617136|2.945726|3.348592|0.086971|4.056862|2.976414|3.012029|2.778520|2.576184|2.562854|2.730220|3.445470|4.579418|5.310592|8.210683|14.363589|7.851773|5.173598|8.849616|8.232748|12.992651|73.516695| |1.708252|1.879492|2.188694|4.265930|2.883098|3.090645|3.893359|4.900594|4.178057|3.222904|7.576971|0.194665|6.588093|7.785609|12.913098|7.621234|0.209008|6.920560|4.149804|3.253473|2.767229|2.771684|3.268914|4.161026|6.908583|5.942428|5.016418|3.868254|3.448127|3.724886|4.741261|4.207943|5.441869|4.730263|5.026889|36.858105| |1.599310|1.745798|2.004818|3.870018|2.556638|2.722954|3.308473|3.936119|3.476316|2.810856|5.337698|0.145550|4.655628|5.387278|8.156956|6.996242|0.223347|6.330752|3.716682|3.042030|2.572792|2.512398|2.856141|3.537401|5.448160|6.050225|4.793498|3.870885|3.650394|4.144672|5.371349|4.768877|6.292087|5.254938|5.292395|15.849264|73.516695| |1.973637|2.204629|2.641768|5.232076|3.695490|3.950485|5.210321|7.458306|6.081636|4.285508|12.477164|0.249425|7.681944|6.590886|7.393487|4.873880|0.131981|5.169430|3.349342|2.715078|2.409419|2.484149|2.944440|3.557495|6.116246|4.156168|3.888179|3.197683|2.850109|2.958801|3.494344|3.456961|4.447208|4.020295|4.337485|12.576378|14.374013|36.858105| |17.537272|8.761357|6.810815|8.311416|3.725807|3.009307|2.544836|2.482911|2.850355|3.568364|2.087660|0.054381|1.947766|1.696127|1.618992|1.437241|0.039147|1.838546|1.332652|1.222728|1.193968|1.263207|1.386148|1.431247|2.161617|1.384401|1.412496|1.342609|1.257638|1.238377|1.294470|1.574709|2.017697|1.979800|2.132784|1.725935|2.889640|1.998215|0.500000| |17.566652|8.799749|5.491869|7.488740|3.298560|2.788950|2.347046|2.234301|2.478859|3.025337|1.899274|0.050244|1.791596|1.570228|1.490793|1.333333|0.036357|1.726640|1.255556|1.157332|1.134765|1.201457|1.312796|1.347963|2.025976|1.277073|1.297777|1.231795|1.156228|1.142011|1.195746|1.456673|1.873005|1.830915|1.961437|1.568701|2.626428|1.790291|0.302066|0.500000| |17.536210|8.760840|6.810264|8.311865|3.722462|3.004554|2.540692|2.479522|2.847784|3.566923|2.085319|0.054220|1.994432|1.726862|1.621616|1.437376|0.038837|1.857455|1.360826|1.250058|1.230562|1.314054|1.445318|1.476766|2.232135|1.380113|1.416873|1.342821|1.248419|1.223696|1.280933|1.548260|1.979096|1.945400|2.115277|1.697417|2.811470|1.953284|0.301441|0.302057|0.500000| |8.823668|17.551676|8.947225|13.139871|4.922568|4.040484|3.154326|2.868070|3.151388|4.042009|2.337444|0.062033|2.186316|1.862107|1.736784|1.526797|0.041541|1.984045|1.440008|1.311180|1.280861|1.364809|1.512049|1.562883|2.394047|1.435013|1.449471|1.353278|1.259524|1.250562|1.327640|1.581910|2.040080|1.969790|2.111253|1.820739|2.995511|2.116046|0.172497|0.211929|0.209983|0.500000| |8.823943|17.552865|8.948176|13.137304|4.930119|4.051859|3.162148|2.873250|3.154829|4.044057|2.340701|0.062272|2.125658|1.823981|1.733577|1.526631|0.041918|1.961196|1.406962|1.279947|1.240009|1.308456|1.445109|1.509564|2.308199|1.439799|1.444817|1.353063|1.268929|1.266136|1.342624|1.609956|2.082140|2.005276|2.128543|1.855814|3.089911|2.173101|0.210000|0.211934|0.172495|0.303503|0.500000| |6.856370|8.839597|17.530964|16.527395|7.099382|4.795890|3.819257|3.742910|4.605246|6.781456|2.915626|0.074097|2.618971|2.186400|2.069574|1.781528|0.048417|2.245107|1.612874|1.451436|1.401961|1.488381|1.664767|1.748787|2.713913|1.691589|1.719041|1.604650|1.486478|1.469704|1.558908|1.845407|2.364909|2.294638|2.482967|2.250857|3.693429|2.739224|0.202930|0.140344|0.168275|0.174187|0.213193|0.500000| |6.859050|8.840837|17.528281|16.524834|7.073965|4.775380|3.804459|3.730684|4.593769|6.770375|2.908875|0.073680|2.735769|2.253375|2.074906|1.781663|0.047831|2.279703|1.663560|1.497795|1.462310|1.573672|1.770419|1.833887|2.857624|1.683684|1.726893|1.604968|1.471255|1.445245|1.535316|1.803100|2.303214|2.241399|2.455371|2.188393|3.533730|2.626343|0.168357|0.140376|0.203012|0.213156|0.174205|0.300910|0.500000| |3.109042|4.107643|4.863476|13.479895|8.959573|17.735475|8.897066|5.607672|4.978781|5.667341|4.079839|0.114937|3.410515|2.741713|2.535295|2.136304|0.059031|2.749540|1.927825|1.693852|1.605651|1.696196|1.930099|2.090902|3.360694|1.905113|1.856861|1.669374|1.547467|1.575980|1.735031|1.972557|2.580193|2.398814|2.521369|2.723861|4.352551|3.332807|0.081434|0.078233|0.081286|0.116465|0.116896|0.120554|0.120041|0.500000| |2.331148|2.809237|3.330782|7.626043|5.655446|8.993774|17.699544|8.901135|5.680267|4.965939|7.005948|0.230749|5.096346|3.920392|3.586974|2.876579|0.080040|3.658519|2.486238|2.108683|1.947846|2.044736|2.381087|2.697742|4.541732|2.435937|2.308987|2.008097|1.846580|1.911220|2.171725|2.356923|3.102708|2.813024|2.940588|3.891947|5.941460|4.897354|0.062913|0.059153|0.062799|0.078027|0.078243|0.088758|0.088420|0.215819|0.500000| |2.656063|2.984370|3.913132|7.471396|5.667755|4.976569|5.671802|8.905283|17.702743|8.997965|6.895931|0.139711|6.106376|4.379719|3.961820|3.038151|0.079077|3.619066|2.589879|2.207052|2.083995|2.246935|2.659198|2.925218|4.922188|2.832462|2.944118|2.598468|2.281191|2.231834|2.446527|2.660965|3.353131|3.228166|3.654969|4.436749|6.513487|6.406624|0.074703|0.064364|0.074649|0.078043|0.078105|0.114100|0.113897|0.107952|0.124234|0.500000| |3.998199|4.662735|7.393287|12.463725|8.870039|5.640440|4.971076|5.628120|8.953468|17.761890|4.076167|0.096513|3.685691|2.897667|2.668750|2.207991|0.058841|2.741634|1.981276|1.748636|1.683931|1.811291|2.075794|2.198914|3.519305|2.085086|2.150312|1.971612|1.782921|1.747040|1.871872|2.146539|2.726111|2.647793|2.937783|2.904330|4.580353|3.726463|0.112455|0.090890|0.112529|0.115306|0.115227|0.225183|0.225788|0.124220|0.107808|0.219326|0.500000| |2.062923|2.288555|2.773683|5.395412|3.802326|3.870537|4.831563|6.939019|6.576414|4.608306|8.815409|0.174717|17.510607|8.966148|6.206537|4.257527|0.102910|5.155849|3.814396|3.044382|2.842562|3.166437|4.075734|4.733704|9.378073|3.722553|3.916252|3.194678|2.673945|2.615285|2.980922|3.008273|3.775872|3.577710|4.138333|5.639456|7.444035|6.777110|0.056760|0.051645|0.058536|0.062468|0.060336|0.076729|0.081299|0.089998|0.120705|0.208257|0.113877|0.500000| |1.986881|2.245460|2.662903|5.384900|3.773298|4.192015|5.525323|6.866211|5.396094|4.125788|8.870764|0.219364|17.542744|8.940701|5.760892|4.124143|0.102564|5.408424|3.946447|3.105639|2.880312|3.201984|4.153352|4.931883|10.488727|3.354740|3.321652|2.722433|2.354601|2.369770|2.745046|2.781867|3.566209|3.290805|3.656614|4.959201|6.742554|5.566704|0.053828|0.050314|0.055978|0.062633|0.059682|0.071639|0.076959|0.099930|0.149923|0.143621|0.098366|0.303781|0.500000| |1.273274|1.373618|1.527529|2.923439|1.858185|1.990984|2.322270|2.552455|2.287622|1.966687|3.195203|0.092921|3.542590|4.868684|5.754327|9.389117|0.239784|25.969059|9.603708|7.641649|4.929525|4.109384|4.348280|5.874447|6.789727|6.841004|5.034541|3.936677|3.698757|4.283576|5.858577|4.878792|6.556146|5.277771|5.293055|4.322260|7.481243|3.300038|0.035255|0.033212|0.035499|0.037860|0.037566|0.042535|0.042964|0.051757|0.067548|0.065488|0.050968|0.088052|0.092150|0.500000| |1.169748|1.246230|1.374075|2.588421|1.618941|1.699610|1.925712|2.104608|1.955274|1.718419|2.502621|0.070389|2.853298|3.671242|3.871440|5.094202|0.123842|9.781321|8.953897|17.701433|8.933812|5.659165|4.985306|5.664876|5.670909|5.040635|4.602387|3.959632|3.686122|3.916001|4.542080|4.521336|5.777276|5.146994|5.495012|3.072533|5.278418|2.542471|0.032336|0.030623|0.032871|0.034472|0.033860|0.038145|0.039032|0.044414|0.054991|0.056540|0.045344|0.074842|0.076205|0.231469|0.500000| |1.131347|1.194984|1.310085|2.440585|1.509032|1.561251|1.732910|1.883252|1.792072|1.603203|2.156090|0.059485|2.508612|3.030453|2.953480|3.385126|0.082674|5.679389|5.621622|8.934869|17.725309|8.899122|5.657134|4.941763|4.930191|3.440736|3.584760|3.312731|2.986979|2.908854|3.091504|3.447627|4.290377|4.163997|4.768846|2.425672|4.081663|2.134093|0.031141|0.029682|0.032070|0.033234|0.032210|0.036144|0.037621|0.040920|0.048827|0.051980|0.042831|0.068213|0.068868|0.116339|0.215803|0.500000| |1.248189|1.317887|1.453312|2.697537|1.671012|1.711586|1.889527|2.068985|1.996832|1.789424|2.328584|0.062921|2.830845|3.295841|2.969382|3.094529|0.074282|4.920444|4.923055|5.651817|8.892154|17.727062|8.935585|5.629997|5.728315|3.055310|3.358865|3.052077|2.617227|2.470001|2.629438|2.901024|3.586601|3.545090|4.227193|2.431358|3.947444|2.229178|0.034150|0.032610|0.035723|0.036846|0.035138|0.039771|0.042323|0.044564|0.052505|0.058188|0.048003|0.079276|0.079708|0.092935|0.124165|0.213469|0.500000| |1.482109|1.585737|1.785173|3.351684|2.125622|2.183043|2.462443|2.772378|2.655744|2.313242|3.179612|0.083827|4.251505|4.947057|3.945506|3.716770|0.086352|5.701791|5.642460|4.984432|5.661435|8.932657|17.690668|8.935919|10.012760|3.447383|3.816433|3.227805|2.665530|2.534564|2.799950|2.916964|3.621562|3.512198|4.193013|3.096338|4.762914|2.906000|0.040387|0.038306|0.042540|0.044379|0.041965|0.048572|0.052465|0.055769|0.067676|0.077833|0.061233|0.121087|0.122704|0.099342|0.108037|0.124215|0.215754|0.500000| |1.681534|1.843257|2.120170|4.106484|2.707768|2.872316|3.433296|4.000360|3.588391|2.957887|4.964629|0.130089|8.035757|9.553225|5.839392|4.687912|0.107991|6.850208|5.832057|4.341983|4.113130|4.935231|7.631107|9.444811|26.089473|3.858005|3.974914|3.166753|2.648943|2.618246|3.035282|3.005967|3.801311|3.548475|4.069528|4.295638|6.127712|4.111156|0.045737|0.043090|0.047820|0.051510|0.048950|0.057497|0.061812|0.071756|0.095129|0.103000|0.075221|0.201854|0.251470|0.111691|0.099199|0.093053|0.116598|0.231656|0.500000| |1.476366|1.570208|1.792446|3.337518|2.151097|2.182846|2.516717|3.007082|2.920874|2.430571|3.724932|0.094076|4.524386|6.113172|6.648626|6.824831|0.140347|7.646545|6.158722|5.025649|4.390584|4.462382|5.247467|6.363731|8.060926|8.872274|17.742917|9.050471|5.653259|4.992535|5.694450|4.930886|5.744881|5.687878|7.654257|5.090716|8.009695|4.125226|0.041270|0.037906|0.041752|0.042695|0.042183|0.050655|0.051555|0.054721|0.068252|0.091023|0.064797|0.131098|0.106466|0.130315|0.121834|0.102277|0.104398|0.129266|0.134538|0.500000| |1.328628|1.385504|1.557132|2.835039|1.778943|1.770271|1.967253|2.276969|2.291554|1.995955|2.624444|0.067366|2.931373|3.445791|3.741049|4.040882|0.096599|4.849668|3.800231|3.691278|3.481298|3.401263|3.508279|3.696571|4.618514|5.596601|8.914737|17.748174|8.991726|5.688793|4.973456|5.652970|6.049077|7.070362|13.535063|3.390656|5.905845|2.942886|0.037455|0.034320|0.037630|0.037471|0.037300|0.044426|0.044717|0.045006|0.053098|0.071188|0.054700|0.086168|0.072332|0.092674|0.097420|0.088957|0.085902|0.089926|0.084530|0.216835|0.500000| |1.249757|1.334466|1.484770|2.800324|1.769998|1.856195|2.129764|2.375406|2.200105|1.900653|2.900142|0.081268|2.947999|3.668004|4.810588|7.036231|0.229726|7.459178|4.284566|3.917657|3.111400|2.763117|2.886370|3.484427|4.517833|8.951917|5.678738|4.976861|5.626974|8.974153|17.779363|10.011381|14.570125|8.930365|7.455713|4.584381|9.682302|3.379027|0.035124|0.032560|0.034628|0.036206|0.036770|0.042226|0.041368|0.048014|0.060509|0.064319|0.050005|0.076880|0.073057|0.167481|0.118720|0.079391|0.066983|0.071093|0.078652|0.124401|0.107975|0.500000| |1.129746|1.172933|1.292874|2.354478|1.451590|1.458979|1.600398|1.786144|1.770175|1.584159|2.018711|0.053827|2.106352|2.404486|2.718896|3.109806|0.082973|3.793494|2.733444|2.780753|2.552710|2.347691|2.325654|2.484593|3.153446|4.126098|4.445573|6.084315|10.132723|7.665424|4.923448|10.476937|9.292250|18.534464|35.517316|2.649011|5.046639|2.290047|0.032022|0.029505|0.031639|0.031649|0.032030|0.037079|0.036485|0.037790|0.043926|0.053197|0.043333|0.059311|0.053188|0.078683|0.080715|0.069159|0.060409|0.059535|0.058397|0.101627|0.153824|0.115998|0.500000| |1.996576|2.239979|2.668757|5.317880|3.723201|4.022961|5.197509|6.757775|5.581344|4.185913|8.753295|0.213287|5.533727|4.898371|5.560621|4.145917|0.118489|4.505346|2.897871|2.413827|2.150828|2.192686|2.537220|3.000967|4.941511|3.627291|3.342117|2.850400|2.625271|2.763427|3.215394|3.320358|4.329772|3.879895|4.055618|9.011954|13.647121|17.606243|0.056534|0.050417|0.054227|0.059227|0.062248|0.077851|0.072119|0.095362|0.137427|0.154640|0.100996|0.138990|0.123701|0.082503|0.063884|0.053656|0.055191|0.069456|0.093723|0.095411|0.073002|0.088635|0.060306|0.500000| |2.043399|2.254092|2.732577|5.266075|3.698066|3.727352|4.625525|6.734458|6.569236|4.543580|8.805663|0.174357|6.919343|5.884103|6.292745|4.398903|0.115137|4.713941|3.177193|2.621636|2.367110|2.466059|2.915805|3.428155|5.770260|4.056674|4.036613|3.386894|2.963044|2.979875|3.406294|3.452133|4.352114|4.069422|4.548405|9.008117|11.843487|17.507083|0.057909|0.051123|0.056566|0.059566|0.061129|0.079842|0.076417|0.086777|0.115506|0.221215|0.113618|0.199959|0.140375|0.084062|0.067881|0.058445|0.062002|0.080969|0.109579|0.121134|0.088279|0.088941|0.066023|0.302766|0.500000| 1611.565741 -11025.207007 4390.486787 -216.419361 -5239.573840 3626.001104 -1613.572736 2.001245 40B4400000000001 45530FF5C3D67339 44D30FF5C3D67339 4256E51B72400003 B14A22391F5F0C00 443EED7CD16E4878