Version2.2 2021-02-06T02:08:05Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 19-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2=[NH+]C(=O)C(=c2c1)NNc3ccc(cc3S(=O)(=O)Nc4ccc(cc4)Cl)[N+](=O)[O-] C12570212 RHF 6-31G(d) (6D,7F) c1ccc2=[NH+]C(=O)C(=c2c1)NNc3ccc(cc3S(=O)(=O)Nc4ccc(cc4)Cl)[N+](=O)[O-] C01[X(C20H15Cl1N5O5S1)] 135 C1 518 Clc1ccc(cc1)NS(=O)(=O)c1cc(ccc1NNC1=c2ccccc2=[NH+]C1=O)[N+](=O)[O-] Clc1ccc(cc1)NS(=O)(=O)c1cc(ccc1NNC1=c2ccccc2=[NH+]C1=O)[N+](=O)[O-] [O-][N+](=O)c1ccc(NNC2=C3C=CC=CC3=[NH+]C2=O)c(c1)[S](=O)(=O)Nc4ccc(Cl)cc4 InChIKey=LPGNEENORHGIBM-UHFFFAOYSA-O InChI=1S/C20H14ClN5O5S/c21-12-5-7-13(8-6-12)25-32(30,31)18-11-14(26(28)29)9-10-17(18)23-24-19-15-3-1-2-4-16(15)22-20(19)27/h1-11,23,25H,(H,22,24,27)/p+1 InChI=1/C20H14ClN5O5S/c21-12-5-7-13(8-6-12)25-32(30,31)18-11-14(26(28)29)9-10-17(18)23-24-19-15-3-1-2-4-16(15)22-20(19)27/h1-11,23,25H,(H,22,24,27)/p+1/fC20H15ClN5O5S/h22,24H/q+1 c1ccc2=[NH+]C(=O)C(=c2c1)NNc3ccc(cc3S(=O)(=O)Nc4ccc(cc4)Cl)[N+](=O)[O-] C01[X(C20H15Cl1N5O5S1)] 135 C01 518 Clc1ccc(cc1)NS(=O)(=O)c1cc(ccc1NNC1=c2ccccc2=[NH+]C1=O)[N+](=O)[O-] Cl[C]1[CH][CH][C]([CH][CH]1)N[S@@]([O])(=O)[C]1[CH][C]([CH][CH][C]1N[NH][C]1[C]2[CH][CH][CH][CH][C]2NC1=O)[N]([O])[O] [O]N([O])[C]1[CH][CH][C](NN[C]2[C]3[CH][CH][CH][CH][C]3NC2=O)[C]([CH]1)[S]([O])(=O)N[C]4[CH][CH][C](Cl)[CH][CH]4 InChIKey=SZAXFQXDDKNAMJ-UHFFFAOYSA-N InChI=1S/C20H15ClN5O5S/c21-12-5-7-13(8-6-12)25-32(30,31)18-11-14(26(28)29)9-10-17(18)23-24-19-15-3-1-2-4-16(15)22-20(19)27/h1-11,23-24H,(H,22,27)(H,25,30,31) InChI=1/C20H15ClN5O5S/c21-12-5-7-13(8-6-12)25-32(30,31)18-11-14(26(28)29)9-10-17(18)23-24-19-15-3-1-2-4-16(15)22-20(19)27/h1-11,23-24H,(H,22,27)(H,25,30,31)/f/h22,25H 3514.0695075085 -2269.2116519 1-A 18042.9683 121 397 518 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490.3117 509.8153 519.5009 523.8942 552.5018 559.8497 566.7764 581.1632 601.1301 605.3205 612.1392 645.1111 664.8988 665.4180 700.5358 712.0650 722.7960 742.2744 755.2085 791.9204 794.8361 800.0523 811.2190 831.0358 848.2800 854.1742 875.2051 886.3801 903.8353 925.5740 942.3299 944.4789 957.4747 962.3482 983.0674 997.9615 1029.8732 1095.1958 1095.6087 1101.5232 1108.6979 1116.2688 1126.7028 1130.5425 1132.4148 1158.0906 1164.6082 1182.8575 1194.6570 1211.5333 1213.8411 1226.7080 1246.2909 1268.2356 1269.8636 1276.1961 1298.4729 1308.0039 1316.0912 1334.3048 1340.6833 1372.0481 1385.1729 1408.1588 1430.4476 1444.4356 1452.4946 1483.0894 1536.2184 1537.6847 1560.9891 1565.7580 1603.9589 1625.3291 1635.3850 1654.9102 1672.0255 1691.3576 1715.2153 1765.4359 1770.3042 1778.3056 1787.1626 1799.9483 1801.0684 1850.9627 1881.3073 2079.7892 3389.9798 3393.8939 3399.6539 3407.0690 3408.6265 3411.9669 3415.6323 3415.7790 3431.4245 3439.3847 3445.5102 3745.0308 3768.5407 3769.0742 3862.0359 10.0409 8.7522 10.0346 4.7077 6.8756 6.7935 12.4827 10.0626 6.2620 6.6424 7.0400 6.4063 10.5672 6.9597 9.2406 7.7501 7.5884 6.6037 6.3662 13.9049 6.7472 10.2939 10.6332 6.2311 5.9860 5.5891 5.3877 2.0117 3.6915 6.8207 3.0666 3.0784 1.4933 3.0964 5.6713 5.6051 3.7683 3.3455 3.2543 3.6865 2.8428 6.5841 3.8974 5.7540 6.2833 4.3292 7.4366 7.0525 6.7571 4.4804 3.4784 4.6428 4.7347 4.6043 4.3731 2.6483 3.8322 3.6650 1.4721 2.9429 2.9144 3.0420 1.5392 1.2572 4.5888 2.2910 1.3641 6.0586 4.2364 2.0319 2.2196 1.4271 1.3856 3.2105 1.3780 1.3699 2.6359 1.3978 3.3184 3.0749 1.9440 3.3553 2.9115 5.8590 2.0072 2.4664 3.1962 5.0639 1.1623 2.0164 2.3831 3.0575 2.7072 2.0705 2.0167 2.3441 2.0146 1.3102 7.9769 2.4793 1.4876 1.6129 3.4770 2.2565 1.9271 2.9215 1.9041 5.2083 2.3355 2.5274 1.8926 4.7792 6.6114 4.8706 3.0789 5.6673 5.5138 5.2453 12.3851 11.5388 1.0915 1.0913 1.0917 1.0915 1.0953 1.0962 1.0949 1.0970 1.0976 1.0955 1.0937 1.0799 1.0764 1.0803 1.0821 0.0010 0.0012 0.0023 0.0032 0.0076 0.0085 0.0206 0.0345 0.0299 0.0400 0.0537 0.0662 0.1343 0.1042 0.1645 0.2341 0.2899 0.2892 0.3004 0.6902 0.3715 0.6130 0.6917 0.4462 0.4615 0.4572 0.5277 0.2117 0.4083 0.8175 0.3943 0.4275 0.2115 0.4742 0.9018 0.9064 0.6777 0.6178 0.6159 0.7336 0.6053 1.4214 0.8604 1.4109 1.6366 1.1294 2.1502 2.1068 2.0799 1.4544 1.1689 1.7155 1.7624 1.7364 1.6956 1.0776 1.6247 1.5755 0.6644 1.3623 1.4027 1.5354 0.8053 0.6607 2.4786 1.2501 0.7767 3.5551 2.6474 1.4360 1.5698 1.0202 1.0035 2.3570 1.0307 1.0316 1.9915 1.1045 2.6517 2.5348 1.6347 2.9017 2.5275 5.1947 1.8369 2.3373 3.0367 4.8592 1.1546 2.0326 2.4320 3.2072 2.8670 2.2964 2.2798 2.7386 2.4288 1.6106 9.9155 3.2131 2.0684 2.2470 4.9918 3.2594 2.9210 4.5472 3.0004 8.4042 3.8469 4.2599 3.2805 8.7763 12.2079 9.0751 5.7939 10.8181 10.5381 10.5881 25.8267 29.4069 7.3905 7.4061 7.4337 7.4649 7.4977 7.5192 7.5264 7.5409 7.6144 7.6351 7.6499 8.9239 9.0068 9.0424 9.5095 0.3118 1.0248 0.3712 1.5055 3.3540 0.6212 1.4474 1.0729 0.5487 0.5768 0.6101 1.3107 5.9446 0.9336 3.1634 11.6673 0.9178 0.6364 1.1525 1.8294 1.2811 3.9320 6.0098 9.7047 0.2737 2.3099 1.3264 7.7774 0.9767 4.9297 2.8198 38.6447 49.6303 10.2508 32.5860 24.4023 66.9708 90.3046 1.6953 17.3596 64.6670 29.8889 7.7177 47.7730 157.0838 103.8068 23.1330 25.9287 1.7718 10.8581 16.0652 72.9511 7.5346 12.2182 60.0942 12.4170 23.1282 27.4218 115.0981 35.4165 19.3660 97.5284 35.5534 2.4527 12.6059 16.1841 7.9131 68.0033 283.6228 7.5997 17.5877 3.5124 0.9147 32.2978 5.2576 0.4568 17.1500 3.3961 25.9711 312.0507 0.1917 136.2479 32.0499 139.3959 16.4003 77.2143 11.9427 10.3011 0.9482 9.2977 7.5206 50.5477 3.2231 36.3276 45.5658 17.9549 92.9773 15.7580 338.7993 260.5397 25.6717 104.7676 57.3846 34.8839 355.3810 227.4874 43.8804 77.1113 151.2956 216.5578 127.2556 66.0224 1.1950 1079.3274 102.5390 181.1249 27.7888 130.7764 489.1904 466.5067 7.0095 1.4889 1.1756 6.6183 0.8198 1.5414 1.4539 0.2289 17.0744 7.1545 21.5717 250.8994 61.4349 214.8035 205.2668 0.9676 3.5574 5.9246 3.8754 5.0089 6.2129 1.6850 1.5872 2.1894 1.0746 1.1753 2.9132 0.6423 1.9961 1.8662 1.4155 2.2736 1.7719 1.6235 3.8069 1.6896 2.2452 4.6959 2.5791 2.2289 3.5211 1.4692 1.8150 3.5364 3.6583 0.3934 0.2641 0.7703 1.2051 6.2868 0.6322 5.0979 0.7535 2.2587 0.4350 6.8634 11.3911 4.9449 1.8360 2.2891 2.3941 4.9054 2.6909 8.4867 0.7757 12.1920 14.7405 4.3418 15.7426 6.4280 33.7866 5.1695 1.2049 1.4729 2.4494 13.9150 5.2605 0.7708 1.9263 12.2596 2.8547 2.2868 7.5061 11.5469 14.8416 32.5436 2.1028 0.3748 0.7261 0.1811 0.6501 34.9080 0.1319 17.1896 63.9065 0.5079 23.3298 5.4676 9.0263 9.9796 9.5924 0.8840 46.0380 7.0652 60.2261 5.5526 19.4462 11.1322 32.2771 3.2018 7.1124 15.4237 2.0833 7.2039 4.3300 7.4409 33.1859 4.3606 3.8903 89.8728 37.7638 31.2626 61.3867 1.2002 13.2492 18.9433 2.8781 2.5539 364.1977 34.8641 121.3342 77.9993 117.2055 1.6325 45.4245 41.3014 73.3269 40.9935 62.1711 164.8575 64.0018 134.4826 132.0635 122.7111 76.3696 25.2579 44.7741 66.0204 114.4214 112.3541 0.7468 0.6443 0.7427 0.7143 0.7153 0.7499 0.7180 0.7462 0.6993 0.5875 0.4262 0.7165 0.7494 0.6618 0.4085 0.7287 0.5355 0.5761 0.6902 0.4619 0.4597 0.7146 0.2831 0.7140 0.7484 0.1910 0.7305 0.5950 0.6899 0.5258 0.3049 0.6657 0.7390 0.7201 0.6658 0.2444 0.6777 0.6799 0.5763 0.6299 0.6113 0.3422 0.7477 0.7499 0.3641 0.5711 0.7431 0.2775 0.7296 0.5214 0.1161 0.2240 0.0550 0.1637 0.2586 0.1110 0.7304 0.5206 0.7314 0.6639 0.0935 0.2872 0.5468 0.7499 0.2658 0.1590 0.7488 0.3852 0.1583 0.2989 0.2811 0.7431 0.4622 0.3154 0.2307 0.4839 0.1289 0.5411 0.0706 0.2345 0.7500 0.1403 0.4066 0.1696 0.3508 0.7158 0.7114 0.1388 0.1329 0.2882 0.5928 0.1632 0.4855 0.4631 0.1041 0.1181 0.1398 0.5434 0.7362 0.4153 0.5287 0.1421 0.3471 0.1812 0.1846 0.2350 0.6783 0.2064 0.2100 0.2940 0.7181 0.4462 0.7489 0.3882 0.6118 0.7435 0.4944 0.1900 0.5690 0.2142 0.5427 0.6798 0.7216 0.3416 0.4106 0.2070 0.1892 0.1694 0.1412 0.2167 0.2498 0.0964 0.2477 0.1582 0.2895 0.8551 0.7837 0.8524 0.8333 0.8340 0.8571 0.8359 0.8546 0.8230 0.7402 0.5977 0.8348 0.8567 0.7965 0.5801 0.8431 0.6975 0.7310 0.8167 0.6319 0.6299 0.8335 0.4413 0.8332 0.8561 0.3207 0.8443 0.7460 0.8165 0.6892 0.4673 0.7993 0.8499 0.8373 0.7994 0.3928 0.8079 0.8095 0.7312 0.7729 0.7587 0.5099 0.8556 0.8571 0.5339 0.7270 0.8526 0.4344 0.8437 0.6854 0.2080 0.3660 0.1042 0.2814 0.4109 0.1999 0.8442 0.6847 0.8448 0.7980 0.1710 0.4462 0.7070 0.8571 0.4199 0.2743 0.8563 0.5561 0.2734 0.4603 0.4389 0.8526 0.6322 0.4796 0.3750 0.6522 0.2284 0.7022 0.1319 0.3799 0.8571 0.2461 0.5781 0.2900 0.5194 0.8343 0.8314 0.2438 0.2346 0.4475 0.7444 0.2806 0.6536 0.6331 0.1886 0.2113 0.2454 0.7042 0.8481 0.5869 0.6917 0.2489 0.5153 0.3068 0.3116 0.3805 0.8083 0.3422 0.3471 0.4544 0.8359 0.6171 0.8564 0.5593 0.7591 0.8529 0.6616 0.3193 0.7253 0.3529 0.7036 0.8094 0.8383 0.5092 0.5821 0.3430 0.3182 0.2898 0.2474 0.3563 0.3998 0.1759 0.3970 0.2732 0.4490 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 7 1 6 8 6 6 6 7 7 6 6 6 6 6 6 16 8 8 7 6 6 6 6 6 6 17 7 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 14.00307 15.99491 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8478.7394 29011.9912 31042.6587 1.00000 -0.00122 -0.00254 0.00114 0.99959 -0.02856 0.00257 0.02856 0.99959 1 0.01022 0.00299 0.00279 0.21285 0.06221 0.05814 19.02 22.34 28.53 49.09 62.31 66.41 76.11 109.80 129.48 145.54 163.77 190.58 211.31 229.31 250.11 325.78 366.34 392.24 407.17 417.61 439.83 457.42 478.08 501.59 520.47 536.12 586.61 608.06 623.39 648.94 672.15 698.47 705.45 733.51 747.45 753.77 794.93 805.50 815.46 836.16 864.89 870.92 880.73 928.17 956.64 957.39 1007.91 1024.50 1039.94 1067.97 1086.58 1139.40 1143.59 1151.10 1167.16 1195.68 1220.49 1228.97 1259.22 1275.30 1300.42 1331.69 1355.80 1358.89 1377.59 1384.60 1414.41 1435.84 1481.76 1575.74 1576.34 1584.85 1595.17 1606.06 1621.07 1626.60 1629.29 1666.23 1675.61 1701.87 1718.84 1743.13 1746.45 1764.96 1793.13 1824.71 1827.05 1836.16 1868.21 1881.93 1893.56 1919.77 1928.94 1974.07 1992.95 2026.03 2058.10 2078.22 2089.82 2133.83 2210.28 2212.39 2245.92 2252.78 2307.74 2338.49 2352.95 2381.05 2405.67 2433.49 2467.81 2540.07 2547.07 2558.59 2571.33 2589.72 2591.34 2663.12 2706.78 2992.35 4877.42 4883.06 4891.34 4902.01 4904.25 4909.06 4914.33 4914.54 4937.05 4948.51 4957.32 5388.26 5422.09 5422.86 5556.61 0.366859 0.392008 0.392952 0.307085 -2268.844792 -2268.819644 -2268.818699 -2268.904567 2.880027D-04 MUNgauss RevisionA2.1 retrievium 06-Feb-2021 DUDE c1ccc2=[NH+]C(=O)C(=c2c1)NNc3ccc(cc3S(=O)(=O)Nc4ccc(cc4)Cl)[N+](=O)[O-] C12570212 RHF 6-31G(d) (6D,10F) C1 472.048243 |X|Y|Z| 53.424172 43.000435 115.497064 64.257999 25 6 7 16 20 4 1 |36.858105| |13.591943|36.858105| |7.768669|13.713008|36.858105| |6.865791|8.088730|13.865817|36.858105| |4.590212|5.164072|7.676163|13.712104|53.358707| |3.904413|4.557145|6.732325|8.932000|25.988524|0.500000| |4.073735|4.154167|5.300377|8.418020|19.117176|0.254760|36.858105| |3.262102|3.308080|4.038912|5.569740|11.217788|0.197396|16.150963|73.516695| |5.063509|4.624969|5.339322|8.448855|11.296209|0.162102|12.385915|14.084682|36.858105| |7.982414|6.950302|7.829470|13.450343|11.228082|0.161918|8.007193|9.669689|13.515352|36.858105| |13.900183|7.932168|6.697595|7.770807|7.137263|0.116737|5.040439|6.945835|7.347403|13.516300|36.858105| |4.107517|3.639177|3.949604|5.386307|7.449794|0.120409|7.916756|12.200335|14.791500|7.616489|5.749941|53.358707| |4.034686|3.381564|3.436056|4.315527|5.557704|0.094032|5.108387|8.177109|8.037094|6.122862|5.675411|18.905263|53.358707| |3.729127|3.114989|3.093323|3.716007|4.746432|0.082455|4.148710|6.783954|5.840011|4.988642|4.972970|10.872723|18.548563|36.858105| |3.332036|2.911404|2.966083|3.556568|4.716752|0.083152|4.143312|6.987747|5.334739|4.475790|4.223050|9.266499|10.694099|13.703210|36.858105| |2.918764|2.577111|2.579006|2.956817|3.897327|0.070710|3.257978|5.563127|3.917584|3.538398|3.491630|6.211522|7.030203|7.912612|13.789517|36.858105| |2.814124|2.439820|2.372346|2.644990|3.407300|0.062283|2.773379|4.692699|3.346376|3.162987|3.294370|5.199622|6.219605|6.873899|7.980832|13.805143|36.858105| |3.033249|2.549928|2.429544|2.699646|3.407029|0.061806|2.764047|4.611893|3.443971|3.315321|3.601440|5.406486|7.013005|7.867399|6.859184|7.925584|13.813843|36.858105| |3.500153|2.868555|2.741619|3.129606|3.911620|0.069558|3.244264|5.330713|4.289774|4.043439|4.415058|7.085694|10.660767|13.544523|7.911656|6.871357|7.986793|13.761893|36.858105| |3.505668|2.818471|2.621805|2.911081|3.576486|0.064166|2.887488|4.719794|3.746188|3.710219|4.282928|5.879327|8.425546|6.824682|4.686335|4.194211|4.771455|7.057214|10.756086|388.023441| |3.192423|2.590494|2.364618|2.538770|3.107279|0.056666|2.440648|4.006721|3.036841|3.108307|3.650530|4.546700|5.892321|4.922317|3.838918|3.730465|4.516323|6.678242|7.387586|95.261771|73.516695| |4.358378|3.364520|3.084093|3.450115|4.109607|0.072579|3.286490|5.214304|4.435183|4.580301|5.578834|6.695324|9.438728|6.259475|4.329194|3.674019|3.868287|5.035474|7.326167|93.698981|13.670345|73.516695| |2.832056|2.386507|2.285744|2.552818|3.256827|0.059211|2.677282|4.525966|3.331838|3.138905|3.382912|5.406925|7.466846|5.535195|4.074352|3.646707|4.000823|5.328285|7.069279|82.896079|13.278728|13.925092|53.358707| |2.370355|2.045611|1.970941|2.173760|2.816720|0.051998|2.300295|3.963412|2.751412|2.587369|2.743500|4.397669|5.658519|4.461084|3.611263|3.440968|3.900632|5.033157|5.646305|50.558306|11.052397|8.933947|18.004767|36.858105| |2.175328|1.886897|1.798193|1.943659|2.503243|0.046653|2.002691|3.439537|2.352034|2.270591|2.443812|3.626857|4.468985|3.519919|2.972549|2.929569|3.384927|4.270518|4.422223|40.271910|10.693519|7.503853|10.512823|13.736614|36.858105| |1.893118|1.670894|1.603826|1.724091|2.244788|0.042234|1.789832|3.107848|2.055361|1.976941|2.097139|3.143516|3.744591|2.967854|2.628007|2.658997|3.061396|3.644201|3.575322|29.170987|7.800521|5.775428|6.958569|7.948893|13.773420|36.858105| |1.788253|1.595501|1.551141|1.679993|2.217559|0.041843|1.784708|3.139536|2.027012|1.915554|1.991601|3.134639|3.689055|2.942501|2.677171|2.732181|3.096403|3.532277|3.425290|25.801096|6.525696|5.209906|6.183507|6.917779|7.968403|13.754585|36.858105| |1.889853|1.686416|1.656427|1.820106|2.424373|0.045531|1.983559|3.519074|2.263214|2.091945|2.141285|3.587384|4.269105|3.421508|3.109742|3.127392|3.469652|3.918707|3.897553|27.904098|6.588053|5.612112|7.007150|7.941350|6.853929|7.902007|13.764257|36.858105| |2.170748|1.909530|1.873319|2.084383|2.759606|0.051210|2.285627|4.023074|2.679042|2.449890|2.514803|4.361889|5.452540|4.359290|3.730805|3.594929|3.963397|4.733534|5.082284|37.155320|8.080150|7.159923|10.698973|13.757988|7.923436|6.867545|7.979858|13.767575|36.858105| |1.544913|1.398712|1.365042|1.465532|1.947688|0.037122|1.554006|2.751997|1.727997|1.640638|1.693601|2.627301|2.992660|2.370013|2.232954|2.314927|2.581480|2.803693|2.666919|19.515865|5.006530|4.119374|4.374971|4.245318|4.780578|7.057129|10.989185|7.060427|4.783368|448.794386| |2.414280|2.138020|2.072679|2.254771|2.922449|0.054429|2.327680|3.978830|2.695516|2.598211|2.710719|4.045889|4.610363|4.507276|5.125672|7.777673|13.091257|7.787705|5.128142|26.367503|6.713483|5.473375|4.410424|3.314741|3.044020|2.882361|2.939928|3.177038|3.397367|20.542177|53.358707| |2.246727|2.032629|1.997245|2.169150|2.853086|0.053633|2.266290|3.916102|2.554936|2.446204|2.495713|3.788016|4.145356|3.901697|4.692409|7.109672|8.424524|5.439744|4.100753|21.861850|5.463385|4.729984|3.756342|2.811034|2.589706|2.492405|2.581325|2.797308|2.936463|18.595012|21.753972|73.516695| |2.288220|2.018127|1.931314|2.071222|2.663536|0.049835|2.097696|3.575842|2.423398|2.375237|2.526998|3.602954|4.141997|3.896321|4.098006|5.435387|8.419270|7.111358|4.690083|26.248846|7.119587|5.340546|4.395763|3.398230|3.254445|3.127429|3.129631|3.252302|3.396329|21.984961|21.784015|15.972577|73.516695| |17.762035|8.877795|5.586523|4.952537|4.964936|0.089030|3.336906|4.936711|4.064242|5.655358|8.972194|4.781467|4.911998|3.445313|3.058381|2.759748|2.745021|3.008331|3.402602|25.171101|5.967745|7.735509|3.828153|2.369123|2.214034|1.922816|1.794710|1.872327|2.138455|12.458549|3.254524|3.920500|4.101544|0.500000| |8.918142|17.727092|8.975617|5.724752|5.654742|0.107255|3.409701|5.018901|3.669616|4.992884|5.664313|4.110898|3.889958|2.684156|2.533472|2.298023|2.205302|2.298258|2.530564|17.909950|4.218013|5.236634|2.932018|1.873505|1.752457|1.563851|1.489655|1.560510|1.747974|10.573552|2.683108|3.345672|3.341348|0.216153|0.500000| |5.565583|8.857201|17.752259|8.886327|9.265107|0.191733|4.650947|6.628444|4.333070|5.577015|4.863185|4.564798|3.981057|2.666673|2.604212|2.305263|2.122923|2.151348|2.385658|16.251229|3.710615|4.680066|2.764244|1.778076|1.634029|1.472058|1.429557|1.521764|1.702826|10.197646|2.566869|3.263642|3.132983|0.123332|0.215430|0.500000| |8.970497|5.640978|4.864084|5.552278|5.787897|0.097438|4.367601|6.334610|6.466858|8.775260|17.764829|7.975116|9.083801|5.969305|4.647179|3.824721|3.727504|4.294712|5.567803|39.880054|8.155634|14.025128|5.572781|3.203403|2.822796|2.369450|2.224189|2.393073|2.863624|14.920098|4.069330|4.769454|4.992856|0.215909|0.124521|0.106061|0.500000| |3.412275|3.137829|3.462122|4.587995|6.882976|0.116101|7.678791|14.181572|9.706331|5.710355|4.446046|25.794455|12.768617|6.498594|6.167242|4.287651|3.537469|3.577091|4.473853|26.629493|5.273988|7.255172|4.970741|3.077012|2.534618|2.234243|2.267886|2.627731|3.158406|15.398343|3.829028|4.763218|4.441390|0.082636|0.074059|0.084530|0.124389|0.500000| |4.370407|3.545178|3.499616|4.289179|5.310417|0.090324|4.636096|7.274709|7.117633|6.167107|6.240411|12.966865|25.911844|9.234961|5.780661|4.272467|4.036606|4.777582|7.280576|51.314935|8.486532|17.459802|8.410192|4.343801|3.458924|2.826868|2.715137|3.078682|3.954597|17.554624|4.212574|4.904993|5.095420|0.109921|0.083162|0.082050|0.218904|0.193254|0.500000| |3.248881|2.935680|3.100692|3.822903|5.314311|0.093371|4.882089|8.469028|5.987276|4.669910|4.090531|10.398398|9.721661|8.882320|17.768609|8.995625|5.684083|4.949052|5.622630|27.456030|5.706072|6.691392|4.762580|3.119949|2.604681|2.336113|2.397579|2.776815|3.262689|16.377084|5.679311|7.208730|6.063870|0.081071|0.070605|0.076210|0.118401|0.207345|0.145663|0.500000| |2.645662|2.400353|2.433366|2.763444|3.715500|0.068531|3.075310|5.348906|3.512398|3.181133|3.078190|5.381708|5.690005|5.635366|8.920705|17.778020|8.956092|5.654016|4.955974|24.134268|5.518233|5.435715|4.144360|2.933428|2.557151|2.377510|2.470537|2.801054|3.107528|17.300651|9.779779|14.234427|8.842196|0.069386|0.060050|0.061363|0.090662|0.106688|0.098076|0.216686|0.500000| |2.808097|2.367132|2.225968|2.420469|3.042305|0.055786|2.424132|4.054037|2.954552|2.911599|3.222461|4.514236|5.681346|5.613522|4.950180|5.648089|8.935893|17.783615|8.923723|48.258266|13.929113|8.336932|7.054610|5.207606|4.762488|4.070519|3.801668|4.006751|4.663932|24.095926|9.762231|8.828794|14.183611|0.079273|0.060189|0.055186|0.106187|0.083889|0.112827|0.107550|0.124498|0.500000| |2.815846|2.383506|2.280548|2.533306|3.228844|0.058885|2.635043|4.448402|3.244901|3.086648|3.327350|5.154570|6.813647|4.654528|3.528597|3.130828|3.342210|4.230713|5.432543|61.829826|11.014446|13.802566|25.845788|9.112883|6.641314|4.587128|4.033535|4.420239|6.170248|23.775718|3.783691|4.301030|4.931093|0.077823|0.059939|0.056407|0.110452|0.097094|0.164794|0.087119|0.074310|0.115213|0.500000| |2.258908|1.943707|1.828507|1.955400|2.487964|0.046370|1.966131|3.341803|2.316132|2.283184|2.507217|3.503872|4.291174|3.331063|2.793770|2.740401|3.161680|4.014585|4.199764|41.444356|12.133907|7.921437|9.615080|8.906040|17.746108|8.933509|5.661289|4.944366|5.640835|31.651069|3.890134|4.332484|5.474391|0.064795|0.050389|0.046071|0.080950|0.067149|0.094488|0.068300|0.066620|0.126458|0.182848|0.500000| |1.777147|1.576321|1.506363|1.602862|2.081875|0.039370|1.642931|2.847359|1.869919|1.819499|1.939421|2.814436|3.294778|2.594210|2.328282|2.372631|2.723975|3.184276|3.085906|25.175020|6.980630|5.150005|5.637373|5.648956|8.914476|17.757956|8.921180|5.636569|4.952368|53.913598|3.576983|4.081315|5.139728|0.050522|0.041303|0.038581|0.060399|0.055494|0.069362|0.058017|0.059674|0.099861|0.107096|0.214921|0.500000| |1.772246|1.599442|1.585528|1.745602|2.352509|0.044417|1.931762|3.469533|2.168357|1.985237|2.002008|3.435507|3.982406|3.178965|2.996144|3.036251|3.277061|3.519718|3.467946|23.761222|5.571757|4.948693|5.683677|5.644580|4.945176|5.635867|8.923324|17.756392|8.902108|53.936431|4.154949|4.906780|5.455554|0.048467|0.041159|0.040691|0.061297|0.071143|0.078356|0.075696|0.077221|0.097664|0.102321|0.107430|0.124180|0.500000| 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