Version2.4 2021-05-26T07:21:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(c(c2)C)Br C12573514 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(c(c2)C)Br C01[X(C22H25Br1N4O4S1)] 165 C1 549 O=C(NNC(=S)NC(=O)COc1ccc(c(c1)C)Br)CCC(=O)Nc1ccc(cc1C)C O=C(NNC(=S)NC(=O)COc1ccc(c(c1)C)Br)CCC(=O)Nc1ccc(cc1C)C Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(Br)c(C)c2)c(C)c1 InChIKey=MJERVYIRJSCDCG-UHFFFAOYSA-N InChI=1S/C22H25BrN4O4S/c1-13-4-7-18(15(3)10-13)24-19(28)8-9-20(29)26-27-22(32)25-21(30)12-31-16-5-6-17(23)14(2)11-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30,32) InChI=1/C22H25BrN4O4S/c1-13-4-7-18(15(3)10-13)24-19(28)8-9-20(29)26-27-22(32)25-21(30)12-31-16-5-6-17(23)14(2)11-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30,32)/f/h24-27H Cc1ccc(c(c1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(c(c2)C)Br C01[X(C22H25Br1N4O4S1)] 165 C01 549 O=C(NNC(=S)NC(=O)COc1ccc(c(c1)C)Br)CCC(=O)Nc1ccc(cc1C)C O=C(NNC(=S)NC(=O)CO[C]1[CH][CH][C]([C]([CH]1)C)Br)CCC(=O)N[C]1[CH][CH][C]([CH][C]1C)C C[C]1[CH][CH][C](NC(=O)CCC(=O)NNC(=S)NC(=O)CO[C]2[CH][CH][C](Br)[C](C)[CH]2)[C](C)[CH]1 InChIKey=MJERVYIRJSCDCG-UHFFFAOYSA-N InChI=1S/C22H25BrN4O4S/c1-13-4-7-18(15(3)10-13)24-19(28)8-9-20(29)26-27-22(32)25-21(30)12-31-16-5-6-17(23)14(2)11-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30,32) InChI=1/C22H25BrN4O4S/c1-13-4-7-18(15(3)10-13)24-19(28)8-9-20(29)26-27-22(32)25-21(30)12-31-16-5-6-17(23)14(2)11-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30,32)/f/h24-27H 3425.0078547294 -4332.3240332 1-A 39363.0707 134 415 549 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.06407 -91.88521 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1.3876 1.3931 1.5162 1.7254 1.7049 6.0839 3.3762 2.2564 2.3913 1.5052 1.5324 1.5353 3.1348 2.8487 2.8478 2.3656 1.9625 1.9317 3.4594 1.3849 2.2554 2.6631 2.0935 2.1492 2.1036 3.1490 1.9317 2.5864 1.0905 1.4337 1.1670 2.6339 3.0379 2.1555 1.5680 1.2424 1.3275 1.6121 2.0740 1.9189 1.7711 1.1118 1.1460 1.4915 1.0443 1.1177 1.0919 1.1139 1.1321 1.1981 1.5174 1.4767 1.8088 1.3705 2.3114 1.6478 5.7014 4.4575 5.9901 5.5807 9.0273 10.6425 10.8769 1.0477 1.0569 1.0397 1.0366 1.1060 1.0675 1.0631 1.0938 1.0987 1.0990 1.1037 1.1024 1.1008 1.0993 1.1038 1.0914 1.0916 1.0899 1.0926 1.0957 1.0939 1.0788 1.0787 1.0766 1.0779 0.0001 0.0001 0.0001 0.0008 0.0002 0.0015 0.0029 0.0032 0.0061 0.0075 0.0139 0.0083 0.0117 0.0229 0.0236 0.0519 0.0457 0.1632 0.0540 0.0974 0.0196 0.1186 0.0372 0.0481 0.0640 0.1644 0.0959 0.2966 0.2541 0.1611 0.3252 0.3059 0.4237 0.6236 0.4978 0.4247 0.4035 0.5641 0.6032 0.4137 0.3879 0.4302 0.2337 0.6972 0.6152 0.5151 1.0347 0.8725 0.3932 0.3925 0.7008 0.5268 0.7996 0.5843 1.2288 0.6330 1.0581 1.4656 0.8847 1.8372 1.9783 1.1415 1.2819 2.5024 1.4589 1.0085 1.3738 2.2616 0.6954 0.7396 0.7787 0.8453 2.0988 2.4075 3.2651 2.8179 3.3033 0.9587 0.9734 1.0738 1.2478 1.2399 4.4517 2.5826 1.7387 1.8505 1.2108 1.2413 1.2492 2.7046 2.5424 2.5508 2.1676 1.8101 1.7943 3.3705 1.3662 2.2433 2.6804 2.1419 2.2143 2.2768 3.5910 2.2305 2.9911 1.2734 1.7525 1.4346 3.2604 3.8359 2.8010 2.2589 1.7975 1.9263 2.3483 3.0336 2.8166 2.6498 1.6985 1.7716 2.3285 1.6396 1.7603 1.7220 1.7571 1.7945 1.9217 2.4695 2.4185 2.9945 2.2897 4.0141 2.9764 10.5442 8.4480 11.5588 10.9377 20.4456 25.4875 27.8620 6.2662 6.3257 6.2796 6.3299 6.7908 6.5571 6.5514 6.7748 6.8685 6.9082 6.9925 6.9860 6.9976 7.0206 7.0850 7.2203 7.2639 7.3905 7.4194 7.5051 7.6113 9.2745 9.3879 9.3782 9.5752 0.2315 0.4919 0.6346 0.3351 1.2255 0.0487 4.4027 1.2607 2.9760 1.1515 4.0039 2.2838 1.1851 12.2538 4.8954 2.6043 4.8494 0.4171 1.7295 3.1516 0.0661 0.1139 1.3114 2.6511 1.8296 1.4591 0.1330 0.0550 10.2383 0.0542 13.1023 8.4091 9.1887 8.6962 2.0774 21.9167 6.3215 14.0788 10.9054 9.0142 3.7600 4.6413 81.6326 28.8744 10.0003 44.8542 7.1873 3.4063 26.9899 45.4833 2.6204 12.5437 0.4422 2.1983 23.6284 12.9929 144.6391 39.3778 128.3499 17.8839 3.8456 0.0261 6.4475 12.1056 62.7733 12.3693 30.9560 24.5013 37.2453 33.4711 3.2020 28.5880 1.1021 7.0231 2.2530 16.6717 17.5279 0.1800 1.0251 3.0618 1.2970 1.1823 40.8567 6.9629 9.4280 0.7199 2.1791 9.6336 3.2222 18.3061 37.2369 63.4303 188.0792 2.1404 197.1966 292.2126 5.1546 151.0706 201.3045 32.9706 20.2420 25.1244 451.4260 122.5643 125.8120 4.4762 15.5794 40.1357 282.0813 149.0392 168.3562 18.8055 4.3046 8.2792 19.6276 64.1070 8.7778 2.9476 18.9691 5.4381 21.0163 6.9956 14.9654 9.4008 37.8158 43.4230 125.7518 129.4360 195.3309 3.7811 184.6331 538.0394 554.4387 59.1916 71.8796 62.0830 1.7390 267.6753 170.9991 204.0696 41.8154 37.9702 44.5256 19.3282 28.3889 0.2570 19.4774 29.5580 31.8398 0.7412 23.6000 14.9788 15.7475 21.7216 22.0133 27.1168 19.9987 10.7292 1.8095 12.5292 1.8921 40.3677 55.2450 92.0997 33.9970 2.4934 3.3774 3.4111 3.0976 0.5823 0.4285 0.4642 3.1475 0.6635 0.5246 0.9130 2.8786 0.5722 0.2168 0.6431 0.3230 0.3390 2.8483 1.2743 0.6352 0.2588 2.2677 0.5091 0.7147 2.0929 0.6869 1.8176 0.2046 0.8785 0.5440 1.4627 0.3751 1.3972 1.9461 2.3588 0.4944 3.6470 0.4980 0.7967 0.3406 0.4483 0.1453 7.5016 4.3585 2.6735 0.6989 11.3581 7.0841 4.7259 0.2756 1.7802 0.5806 1.7654 1.6057 5.9454 2.4195 2.5144 0.9361 8.2476 12.3493 13.2973 0.0664 1.6431 1.3325 4.3460 2.3531 4.0402 12.2983 1.4043 1.2931 3.7598 1.7178 9.0261 12.7414 0.7609 18.4548 2.1860 1.2099 1.4117 2.3371 5.1741 0.8321 8.3352 3.5609 1.6516 0.7276 1.4114 1.2916 0.6874 11.2379 7.3776 2.2334 3.7420 5.2999 1.1942 0.7791 0.5019 2.7508 8.6670 10.3781 1.2533 1.2113 3.6306 25.6865 12.2039 13.1413 3.1931 15.8130 9.1166 16.7117 5.9556 13.0083 12.4937 7.1114 7.7721 7.0689 4.8934 7.2989 6.4168 11.4919 2.8857 17.5317 12.5376 14.0239 17.6962 19.4541 3.9683 11.7188 4.5854 7.3796 0.4636 8.7458 11.7918 24.2641 21.1966 30.8782 81.1787 14.1781 4.3490 11.8357 124.6020 66.8908 193.3648 130.3737 30.2734 134.7461 2.2484 72.2683 95.0580 75.6137 69.6603 70.4876 1.2961 62.1318 58.2100 93.5561 95.2724 29.2268 88.7665 119.9621 69.4198 75.9914 16.5155 79.7327 46.8277 0.7493 0.7492 0.7499 0.7486 0.7375 0.7497 0.7249 0.6952 0.5887 0.7487 0.7494 0.6977 0.7232 0.7449 0.7493 0.7159 0.6011 0.3694 0.6186 0.7496 0.7493 0.1578 0.7326 0.7210 0.7467 0.2430 0.7494 0.6728 0.7472 0.6678 0.3829 0.7500 0.0793 0.5304 0.7500 0.6206 0.6968 0.3701 0.7190 0.6726 0.2582 0.7492 0.3994 0.7500 0.6041 0.7078 0.2916 0.4394 0.2208 0.7464 0.7102 0.7463 0.5994 0.2098 0.3102 0.4504 0.6539 0.7387 0.3000 0.2043 0.1326 0.6774 0.5977 0.4627 0.3166 0.7110 0.2659 0.1633 0.7492 0.4971 0.5756 0.7500 0.1475 0.1509 0.2272 0.1412 0.6813 0.7496 0.6779 0.6552 0.6767 0.1806 0.1866 0.3932 0.1966 0.7252 0.6984 0.3455 0.7499 0.1138 0.1247 0.2684 0.7422 0.6441 0.7269 0.7412 0.5599 0.3353 0.1828 0.5014 0.6698 0.2393 0.1778 0.1355 0.3253 0.7014 0.3828 0.7238 0.2017 0.6583 0.5831 0.2866 0.7024 0.5595 0.3974 0.5740 0.6834 0.4226 0.6466 0.6136 0.6152 0.7499 0.6613 0.7460 0.7229 0.7499 0.5424 0.7370 0.7007 0.5054 0.2473 0.4840 0.5270 0.5872 0.3513 0.6245 0.5590 0.2608 0.4166 0.2539 0.0596 0.0386 0.0575 0.0159 0.7147 0.1166 0.1129 0.5717 0.7317 0.6435 0.7496 0.7500 0.4850 0.6588 0.7491 0.3319 0.3067 0.5170 0.4041 0.1518 0.2299 0.1633 0.3400 0.1421 0.1333 0.8567 0.8566 0.8571 0.8562 0.8490 0.8570 0.8405 0.8202 0.7411 0.8563 0.8567 0.8219 0.8394 0.8538 0.8567 0.8345 0.7509 0.5395 0.7644 0.8569 0.8567 0.2726 0.8457 0.8379 0.8550 0.3909 0.8567 0.8044 0.8553 0.8008 0.5537 0.8571 0.1470 0.6932 0.8571 0.7659 0.8213 0.5403 0.8366 0.8042 0.4104 0.8566 0.5709 0.8571 0.7532 0.8289 0.4515 0.6105 0.3618 0.8548 0.8306 0.8547 0.7495 0.3468 0.4735 0.6211 0.7908 0.8497 0.4615 0.3393 0.2342 0.8077 0.7482 0.6327 0.4810 0.8311 0.4201 0.2808 0.8566 0.6641 0.7307 0.8571 0.2570 0.2622 0.3702 0.2474 0.8104 0.8569 0.8080 0.7917 0.8072 0.3059 0.3146 0.5645 0.3286 0.8407 0.8224 0.5136 0.8571 0.2044 0.2217 0.4232 0.8520 0.7835 0.8419 0.8514 0.7179 0.5022 0.3091 0.6680 0.8023 0.3862 0.3019 0.2387 0.4910 0.8245 0.5537 0.8398 0.3357 0.7939 0.7367 0.4455 0.8252 0.7175 0.5687 0.7294 0.8119 0.5941 0.7854 0.7605 0.7617 0.8571 0.7961 0.8545 0.8391 0.8571 0.7034 0.8486 0.8240 0.6714 0.3965 0.6523 0.6902 0.7399 0.5200 0.7688 0.7171 0.4137 0.5882 0.4050 0.1125 0.0744 0.1087 0.0313 0.8336 0.2088 0.2029 0.7275 0.8450 0.7831 0.8569 0.8571 0.6532 0.7943 0.8566 0.4984 0.4694 0.6816 0.5756 0.2636 0.3738 0.2808 0.5075 0.2488 0.2353 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 6 6 6 6 6 6 6 6 7 6 8 6 6 6 8 7 7 6 16 7 6 8 6 8 6 6 6 6 6 6 6 35 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 14.00307 12.00000 31.97207 14.00307 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 19828.0521 56097.1803 74388.8414 0.99933 0.03658 0.00196 -0.03658 0.99933 -0.00010 -0.00197 0.00003 1.00000 1 0.00437 0.00154 0.00116 0.09102 0.03217 0.02426 7.65 9.02 10.29 22.14 27.21 30.95 41.64 49.18 56.82 68.74 72.57 85.49 106.03 142.33 144.68 174.87 187.86 208.05 211.80 246.38 252.03 256.47 265.36 288.81 322.01 325.94 340.26 383.20 405.37 432.81 454.48 472.24 500.99 512.71 517.57 551.91 564.01 615.15 692.28 711.66 720.84 722.30 769.51 794.97 817.16 834.59 850.43 854.46 863.07 881.95 891.78 926.62 939.18 939.56 951.23 976.58 1002.91 1046.56 1100.04 1125.37 1135.82 1144.05 1146.94 1206.89 1229.53 1273.87 1287.38 1302.51 1320.28 1347.96 1434.78 1439.65 1450.04 1490.31 1510.26 1531.53 1554.49 1558.04 1566.90 1577.40 1594.03 1598.53 1603.39 1639.39 1645.43 1648.93 1681.15 1687.03 1690.77 1741.06 1770.77 1774.00 1794.27 1800.17 1806.55 1850.20 1861.71 1869.42 1880.51 1895.95 1902.57 1950.03 2001.66 2014.17 2015.76 2025.58 2072.34 2078.27 2085.45 2106.26 2136.71 2249.77 2254.58 2257.97 2262.30 2266.98 2270.93 2292.75 2316.87 2330.52 2342.07 2348.65 2352.39 2353.96 2354.23 2359.87 2373.87 2391.22 2398.82 2411.75 2422.77 2470.18 2519.17 2549.07 2580.45 2603.80 2624.13 2820.91 2900.74 3000.01 4584.05 4585.72 4606.58 4631.86 4644.72 4645.67 4653.23 4664.88 4686.67 4699.39 4718.12 4718.52 4725.97 4736.95 4748.82 4821.15 4835.29 4881.11 4884.46 4905.77 4944.47 5495.88 5529.72 5532.35 5586.73 0.483980 0.515848 0.516792 0.407942 -4331.840053 -4331.808186 -4331.807241 -4331.916091 3.650847D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE Cc1ccc(c(c1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(c(c2)C)Br C12573514 RHF 6-31G(d) (6D,10F) C1 520.077988 |X|Y|Z| 98.867871 170.236089 24.671978 74.605399 24 6 7 8 19 4 1 |36.858105| |12.608008|36.858105| |7.541001|13.738925|36.858105| |5.009228|7.893781|13.771547|36.858105| |4.421033|6.807838|7.936044|13.740363|36.858105| |4.993458|7.828185|6.854420|7.905713|13.646165|36.858105| |7.548285|13.722837|8.021234|6.928453|7.966947|13.729335|36.858105| |3.785268|5.001200|4.439325|5.004722|7.507099|12.597593|7.579001|36.858105| |3.326120|4.517833|5.136741|7.783548|13.426104|7.875147|5.174098|6.654363|53.358707| |2.860479|3.682591|4.324447|6.257195|7.652954|5.211745|3.937899|4.650446|19.101733|36.858105| |2.883297|3.659339|4.501130|6.456442|6.563319|4.556088|3.697492|3.891843|11.452791|15.884339|73.516695| |2.359961|2.900712|3.243500|4.227768|5.026888|3.996517|3.138336|3.963822|10.753542|12.518874|14.209975|36.858105| |2.084574|2.484854|2.788457|3.479855|3.816014|3.142731|2.608095|3.082678|6.952865|7.582647|12.353449|12.516524|36.858105| |1.811158|2.110648|2.310097|2.771318|3.034107|2.628715|2.226614|2.667151|5.268291|4.930869|7.982960|7.572874|12.593134|36.858105| |1.758161|2.042680|2.197780|2.610562|2.917203|2.590859|2.186336|2.706906|5.066682|4.424027|6.847822|6.805753|7.939749|16.015724|73.516695| |1.648093|1.887580|2.066731|2.422806|2.568936|2.252591|1.959148|2.257703|4.237527|3.858752|6.704479|5.066923|7.838143|13.709812|15.035080|53.358707| |1.485014|1.678548|1.809985|2.079020|2.207250|1.985325|1.747675|2.019895|3.556413|3.080826|5.305195|3.894261|5.152157|8.007561|12.557936|18.861175|53.358707| |1.385234|1.553186|1.670656|1.899655|1.999055|1.810080|1.609462|1.838062|3.173761|2.682345|4.615705|3.303512|4.069465|5.748187|9.979702|10.776514|18.966528|36.858105| |1.256800|1.394813|1.480415|1.658232|1.750005|1.616493|1.450756|1.660962|2.731116|2.238928|3.833007|2.684400|3.112918|4.086945|7.603988|6.663353|9.962229|11.552379|388.023441| |1.411869|1.583936|1.721127|1.962098|2.036096|1.822184|1.625680|1.822490|3.222641|2.739313|4.764873|3.325882|4.081441|5.409711|9.011741|9.753128|11.392047|13.977303|49.983789|53.358707| |1.322427|1.470099|1.593291|1.794063|1.842602|1.661359|1.499565|1.655160|2.862141|2.377399|4.153207|2.787537|3.241908|3.960915|6.838585|6.432966|7.132420|7.624755|41.327051|18.533742|36.858105| |1.225967|1.352709|1.453839|1.620101|1.665840|1.520437|1.381611|1.523878|2.559322|2.091618|3.647533|2.420068|2.751984|3.314180|5.869503|5.257961|6.073536|6.434525|43.314062|11.298406|16.204659|73.516695| |1.376868|1.531636|1.676496|1.890192|1.913652|1.707971|1.547450|1.676915|2.954543|2.453895|4.326583|2.814449|3.210723|3.681208|6.236124|5.664510|5.625048|5.103974|28.519166|10.805708|12.488185|14.171801|36.858105| |1.274101|1.402326|1.526146|1.695671|1.704987|1.538544|1.410418|1.509597|2.584279|2.104166|3.724531|2.351600|2.609203|2.907655|5.008826|4.378371|4.435763|3.943220|24.318153|7.243864|8.078225|12.806916|13.791483|73.516695| |1.277817|1.400313|1.528737|1.687749|1.677981|1.513156|1.397526|1.471719|2.512743|2.026248|3.607205|2.213531|2.403945|2.583821|4.443141|3.779700|3.720374|3.145085|19.663633|5.461046|5.226776|8.491356|8.052163|25.064086|36.858105| |1.379194|1.516865|1.672520|1.853494|1.822950|1.627040|1.503251|1.564217|2.723012|2.199564|3.938845|2.368924|2.544543|2.652567|4.511910|3.793552|3.597075|2.928742|17.895424|5.034832|4.398978|6.840119|6.729963|13.981354|13.785246|36.858105| |1.349190|1.470659|1.619263|1.770934|1.723530|1.547616|1.446161|1.479022|2.529453|2.010557|3.615556|2.114752|2.224499|2.268846|3.880163|3.193229|3.027378|2.414128|15.134904|3.967044|3.338317|5.406615|4.517318|9.254929|7.980966|13.708769|36.858105| |1.233294|1.332356|1.452832|1.571720|1.534443|1.394553|1.311862|1.340634|2.234421|1.758716|3.155615|1.846200|1.935681|1.989059|3.433274|2.811353|2.718723|2.181054|14.064017|3.506337|2.984474|5.035366|3.808512|8.251310|6.909282|7.934545|13.858413|36.858105| |1.157268|1.248998|1.352885|1.463596|1.441838|1.318271|1.237575|1.278652|2.108886|1.662091|2.969673|1.765111|1.866451|1.954195|3.393831|2.797882|2.763828|2.260143|14.844652|3.629041|3.195185|5.578470|3.983601|9.393328|7.866215|6.782191|7.881503|13.630571|36.858105| |1.177284|1.278382|1.385245|1.511239|1.500450|1.367849|1.274152|1.333830|2.220127|1.766703|3.145752|1.907694|2.046644|2.186509|3.797080|3.179638|3.179727|2.667857|17.427197|4.399472|4.095124|7.207947|5.291117|14.625944|13.688977|7.930166|6.927313|8.020687|13.789988|36.858105| |1.063664|1.139417|1.225205|1.313700|1.295507|1.195513|1.129290|1.163621|1.880265|1.469255|2.623045|1.551685|1.631089|1.705973|2.980565|2.436793|2.432541|1.978480|13.322854|3.087775|2.670954|4.801593|3.122297|7.028795|5.013558|4.413157|5.001088|7.486019|12.633096|7.598514|36.858105| |1.188179|1.269601|1.378813|1.469841|1.423101|1.303673|1.241245|1.247500|2.037813|1.580961|2.844878|1.628269|1.680458|1.698362|2.940087|2.369985|2.285218|1.797751|11.752821|2.803413|2.301728|3.926111|2.773478|5.637004|4.087826|4.599155|6.736982|10.007768|6.627162|4.592915|5.982351|2539.412838| |17.529222|8.841119|6.242640|4.437582|3.973271|4.439640|6.272435|3.498390|4.187369|2.710566|4.927998|2.249371|2.017889|1.755322|3.015922|2.189431|1.977498|1.350381|8.732909|1.864892|1.280751|2.115209|1.326783|2.184179|1.228484|1.319798|1.288835|1.181780|1.113077|1.133969|1.025543|38.715344|0.500000| |17.567127|8.831816|5.644130|4.198823|3.956841|4.688981|7.075175|3.766994|4.180700|2.621141|4.601428|2.214754|1.949582|1.717678|2.995151|2.125184|1.930237|1.328482|8.631261|1.837592|1.268579|2.099412|1.316874|2.173699|1.225877|1.318172|1.291307|1.185547|1.115271|1.133585|1.028573|38.958286|0.302115|0.500000| |17.569527|8.838246|7.086652|4.701436|3.953660|4.178078|5.638978|3.242882|4.172222|2.698067|4.901316|2.241227|2.002443|1.745299|3.001896|2.178015|1.963120|1.353210|8.721227|1.890043|1.308400|2.156085|1.371834|2.266535|1.286781|1.395702|1.374872|1.256754|1.173504|1.187696|1.078889|41.475615|0.302165|0.301745|0.500000| |6.975321|8.914179|17.703646|8.969866|5.656516|4.941423|5.674536|3.549337|5.675566|3.753271|7.206223|2.904121|2.581736|2.158554|3.627134|2.674258|2.349225|1.602897|10.106693|2.262093|1.549619|2.516717|1.641464|2.673353|1.516742|1.666713|1.627059|1.461219|1.354306|1.378720|1.227962|47.551182|0.166984|0.143061|0.212293|0.500000| |4.090697|5.636539|8.936512|17.796275|8.939515|5.638667|4.986944|4.082463|9.697562|6.790594|13.994599|4.493067|3.811750|2.965299|4.860256|3.554837|3.003697|2.015805|12.347013|2.869727|1.924773|3.063344|2.051203|3.251757|1.826321|2.026456|1.930853|1.696155|1.569792|1.622339|1.398655|53.683299|0.103621|0.096851|0.111713|0.216852|0.500000| |7.023784|8.942408|5.683046|4.978848|5.665549|8.972626|17.693340|7.098569|5.712554|3.315136|5.520880|2.767400|2.334833|2.037707|3.593463|2.456619|2.219450|1.507991|9.770144|2.061588|1.402738|2.312866|1.439481|2.345693|1.306211|1.396268|1.346373|1.229815|1.164969|1.198014|1.068856|39.742384|0.169145|0.212878|0.143403|0.124494|0.108067|0.500000| |3.357798|4.296917|3.956132|4.523980|6.527848|8.777780|5.948373|17.500458|8.822155|4.535668|6.559191|4.078252|3.101463|2.737816|5.048343|3.120809|2.805206|1.891983|12.179500|2.560451|1.714047|2.805079|1.739462|2.781793|1.525780|1.622472|1.532121|1.387072|1.322688|1.380938|1.201723|43.818601|0.084954|0.094084|0.082405|0.090124|0.106357|0.156739|0.500000| |3.842555|4.779318|3.994983|4.181677|5.564887|8.870636|7.328298|17.599227|6.603977|3.699141|5.749976|3.249300|2.640561|2.336734|4.227849|2.744830|2.491696|1.677324|10.912862|2.256628|1.517086|2.502479|1.532737|2.474506|1.359735|1.438852|1.368325|1.249350|1.194450|1.241630|1.093785|39.824514|0.099774|0.110455|0.089772|0.090829|0.096125|0.228475|0.303218|0.500000| |3.318988|4.256242|3.967306|4.596125|6.741074|8.814722|5.826360|17.544575|9.292905|5.034541|7.376459|4.384394|3.396801|2.920627|5.263601|3.329065|2.968666|1.955464|12.537452|2.608192|1.720014|2.811776|1.724188|2.741750|1.490796|1.574994|1.477542|1.339193|1.283889|1.347555|1.167413|42.114484|0.088054|0.090097|0.080152|0.090351|0.108446|0.151314|0.301529|0.302175|0.500000| |3.066535|4.033044|4.308137|5.836129|9.247301|7.327019|4.816904|7.501853|26.084937|9.489709|10.889395|7.739047|4.827067|3.888802|6.969993|4.180003|3.571403|2.355894|14.563291|3.227343|2.108338|3.367929|2.157809|3.358820|1.829031|1.967605|1.823700|1.618151|1.534926|1.619842|1.371611|50.131561|0.078583|0.080923|0.078290|0.099008|0.147763|0.113692|0.229371|0.146399|0.213902|0.500000| |2.286511|2.789275|3.111951|4.002691|4.670280|3.769644|3.002567|3.746148|9.538938|8.928711|11.175169|17.547620|8.843863|6.923461|12.170345|6.474485|5.128438|3.340868|19.317385|4.706188|2.946042|4.516422|3.032844|4.479762|2.383474|2.575542|2.288640|1.980332|1.883631|2.037392|1.644020|59.073667|0.059798|0.060109|0.060898|0.077970|0.118570|0.073954|0.111774|0.086032|0.110169|0.205601|0.500000| |2.304197|2.814871|3.036071|3.834201|4.762469|4.052874|3.140597|4.319549|9.875779|8.859020|10.808094|17.572554|8.847633|6.914400|12.493369|6.343195|5.156558|3.192313|19.017846|4.216628|2.603952|4.093808|2.565077|3.861396|2.033666|2.142233|1.923549|1.702866|1.642877|1.775033|1.458576|51.410773|0.061312|0.060788|0.060045|0.074801|0.107818|0.078373|0.124429|0.097889|0.139281|0.223516|0.305152|0.500000| |2.092359|2.482945|2.769359|3.409425|3.721868|3.112515|2.604363|3.053904|6.510979|6.906395|12.304471|8.848326|17.540241|8.966583|11.113970|9.481181|6.590141|3.729479|20.896565|4.925539|2.908349|4.481197|2.836957|4.190486|2.177232|2.283280|2.021154|1.780809|1.724798|1.881526|1.522849|53.163846|0.057003|0.054126|0.055499|0.071305|0.102506|0.064987|0.083042|0.073338|0.095460|0.122998|0.173367|0.211334|0.500000| |2.083147|2.470678|2.834784|3.538441|3.686559|2.983250|2.528247|2.831469|6.425021|6.974933|12.989014|8.838760|17.578368|8.913624|10.805780|9.891030|6.505276|3.956415|21.223906|5.737658|3.399306|5.038778|3.503875|5.007062|2.619883|2.828356|2.456315|2.104127|2.007850|2.200030|1.735969|61.744364|0.055898|0.053728|0.056283|0.074264|0.112123|0.062481|0.078936|0.067972|0.084396|0.119776|0.209816|0.173392|0.305832|0.500000| |1.663837|1.900859|2.093899|2.446973|2.556334|2.231589|1.955397|2.207651|4.148509|3.827128|6.956424|4.722194|7.493645|9.300952|10.944983|25.967913|13.003266|6.202785|29.924652|7.971360|4.170184|6.184010|3.790536|5.346985|2.638765|2.667232|2.271548|2.004656|1.987123|2.238710|1.737716|57.973218|0.045387|0.043530|0.044930|0.055641|0.073833|0.049913|0.061398|0.054955|0.066547|0.081720|0.118751|0.119238|0.209588|0.206899|0.500000| |1.464242|1.652468|1.763848|2.016405|2.165543|1.973928|1.735172|2.037966|3.482720|2.967947|5.046622|3.746082|4.746021|7.131864|12.371687|12.770242|25.993448|9.554618|51.146338|8.231869|4.280833|6.848866|3.453380|5.034982|2.417380|2.338878|2.004462|1.819582|1.851695|2.106983|1.650231|52.768249|0.039902|0.038985|0.039301|0.046489|0.058721|0.045243|0.057694|0.051522|0.061677|0.072118|0.099172|0.105617|0.128667|0.117068|0.205428|0.500000| |1.512164|1.709058|1.876764|2.164192|2.236025|1.970426|1.747948|1.950701|3.576447|3.114401|5.463155|3.818657|4.896106|6.435294|9.880145|12.024778|11.098536|9.562614|38.104848|26.012657|9.316174|10.825790|7.836639|8.992737|4.014148|3.901771|3.056559|2.635413|2.659487|3.168178|2.238918|71.870567|0.040696|0.039956|0.041346|0.050334|0.065368|0.044887|0.055792|0.048906|0.056994|0.072308|0.110305|0.095647|0.116847|0.146594|0.198052|0.160421|0.500000| |1.429488|1.593293|1.760450|1.992156|1.995104|1.762611|1.598373|1.711867|3.074975|2.596436|4.672502|2.938312|3.442572|3.823552|6.193537|6.039409|5.696566|4.852500|26.194393|10.045713|8.857997|10.818042|17.509774|16.570368|7.051890|6.731793|4.571529|3.745930|3.776760|4.772839|2.967641|94.195278|0.038342|0.037751|0.039646|0.048113|0.060752|0.041084|0.048946|0.043348|0.048964|0.061507|0.086663|0.073117|0.084819|0.108176|0.116374|0.095752|0.232821|0.500000| |1.446475|1.618927|1.773919|2.014721|2.052370|1.824494|1.642215|1.793965|3.199922|2.646514|4.587761|3.076230|3.419249|3.918310|6.799411|5.687708|5.483261|4.816015|26.990064|9.611643|8.941330|11.223848|17.513810|16.533684|7.111351|6.797291|4.610340|3.774539|3.803707|4.806699|2.984759|94.771725|0.038493|0.038490|0.040004|0.047999|0.060715|0.042332|0.052162|0.045310|0.051024|0.065412|0.094948|0.077329|0.081799|0.103244|0.103094|0.094810|0.205157|0.300607|0.500000| |1.487346|1.651386|1.837210|2.062582|2.026899|1.785932|1.636796|1.708321|3.061620|2.508360|4.499233|2.717437|2.940341|3.036511|5.092283|4.311454|3.969174|3.182638|18.791862|5.581961|4.654587|6.875635|7.382694|12.404579|8.849545|17.762314|8.953280|5.665068|4.908515|5.622916|3.535035|130.859254|0.039448|0.039325|0.041752|0.050714|0.063290|0.041948|0.049248|0.043316|0.047849|0.061146|0.082863|0.067077|0.072055|0.092716|0.083886|0.070851|0.125706|0.222784|0.224279|0.500000| |1.422836|1.550867|1.718584|1.876027|1.806506|1.614427|1.514148|1.528493|2.631084|2.082344|3.762950|2.154870|2.238892|2.235221|3.807493|3.100097|2.893931|2.262465|14.121199|3.665391|2.974775|4.784131|3.902418|7.449703|5.669882|8.924419|17.751441|8.972553|5.627613|4.982853|4.082080|222.909988|0.037617|0.037736|0.040494|0.048242|0.057142|0.039016|0.043952|0.039234|0.042176|0.052399|0.064918|0.054099|0.056485|0.069129|0.061612|0.053474|0.079685|0.112584|0.113404|0.216859|0.500000| |1.119473|1.213068|1.307249|1.423003|1.420588|1.302679|1.213667|1.278253|2.102846|1.670455|2.966195|1.812923|1.951434|2.110206|3.687983|3.094062|3.160306|2.689809|18.056147|4.365142|4.143577|7.737551|4.931966|13.645238|8.997031|5.671319|4.982525|5.667476|8.912973|17.739973|7.018540|129.359103|0.030035|0.030005|0.031281|0.036054|0.042202|0.031814|0.036732|0.033149|0.035989|0.042767|0.053450|0.047286|0.050168|0.057633|0.060415|0.058498|0.084987|0.120766|0.121400|0.124256|0.108070|0.500000| |1.051370|1.123810|1.204457|1.287353|1.270930|1.177414|1.114605|1.147505|1.838809|1.425854|2.533678|1.502070|1.561784|1.628774|2.865975|2.300227|2.292667|1.854832|12.558715|2.866733|2.447181|4.393893|2.830847|6.170261|4.297211|3.955423|4.579902|6.659354|8.865569|5.909851|17.569538|211.007769|0.028098|0.028322|0.029650|0.033515|0.037928|0.029365|0.033010|0.030020|0.031867|0.037380|0.044372|0.039341|0.040463|0.045950|0.045415|0.043468|0.057831|0.074306|0.077101|0.090196|0.107910|0.152591|0.500000| |1.026556|1.099762|1.178556|1.264512|1.253422|1.160166|1.094139|1.135013|1.824259|1.426915|2.541559|1.516393|1.601207|1.691548|2.965924|2.432407|2.459996|2.020550|13.812607|3.133972|2.744578|5.062989|3.118831|7.131251|4.782700|3.972267|4.177293|5.555353|8.887909|7.348390|17.601383|152.038445|0.027553|0.027607|0.028833|0.032715|0.037283|0.028827|0.032550|0.029671|0.031736|0.037062|0.044481|0.039802|0.041647|0.047049|0.048087|0.046461|0.062206|0.081139|0.081550|0.090421|0.096049|0.225562|0.300997|0.500000| 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