Version2.4 2021-05-26T10:22:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 05-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE 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 3425.0108483238 -4332.3240332 1-A 39362.7516 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 1.3930 1.5162 1.7254 1.7049 6.0834 3.3752 2.2569 2.3913 1.5052 1.5324 1.5353 3.1348 2.8488 2.8478 2.3657 1.9625 1.9316 3.4595 1.3847 2.2556 2.6633 2.0936 2.1492 2.1036 3.1489 1.9315 2.5869 1.0905 1.4338 1.1669 2.6337 3.0382 2.1557 1.5680 1.2424 1.3275 1.6121 2.0740 1.9189 1.7710 1.1118 1.1460 1.4915 1.0443 1.1176 1.0925 1.1133 1.1321 1.1981 1.5174 1.4767 1.8088 1.3705 2.3114 1.6478 5.7014 4.4574 5.9901 5.5807 9.0273 10.6425 10.8770 1.0477 1.0569 1.0397 1.0366 1.1060 1.0675 1.0631 1.0938 1.0987 1.0991 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 0.1633 0.0540 0.0973 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 0.4034 0.5641 0.6031 0.4137 0.3879 0.4302 0.2337 0.6969 0.6151 0.5149 1.0347 0.8725 0.3934 0.3925 0.7007 0.5268 0.7985 0.5848 1.2288 0.6330 1.0582 1.4657 0.8847 1.8372 1.9784 1.1415 1.2819 2.5023 1.4590 1.0085 1.3737 2.2620 0.6954 0.7395 0.7787 0.8453 2.0988 2.4075 3.2652 2.8180 3.3033 0.9587 0.9734 1.0738 1.2478 1.2400 4.4513 2.5818 1.7391 1.8505 1.2108 1.2413 1.2492 2.7046 2.5424 2.5508 2.1677 1.8101 1.7943 3.3707 1.3660 2.2435 2.6807 2.1419 2.2143 2.2767 3.5908 2.2302 2.9917 1.2735 1.7525 1.4345 3.2601 3.8362 2.8012 2.2589 1.7975 1.9263 2.3483 3.0337 2.8166 2.6497 1.6985 1.7716 2.3285 1.6396 1.7603 1.7230 1.7561 1.7945 1.9217 2.4695 2.4186 2.9945 2.2897 4.0141 2.9764 10.5440 8.4478 11.5588 10.9376 20.4457 25.4873 27.8625 6.2662 6.3257 6.2796 6.3299 6.7908 6.5571 6.5514 6.7749 6.8685 6.9081 6.9925 6.9860 6.9976 7.0206 7.0850 7.2203 7.2639 7.3905 7.4194 7.5051 7.6113 9.2746 9.3879 9.3782 9.5752 0.2324 0.4933 0.6339 0.3367 1.2245 0.0495 4.4009 1.2612 2.9746 1.1504 4.0034 2.2844 1.1864 12.2539 4.8942 2.6040 4.8506 0.4168 1.7293 3.1521 0.0664 0.1139 1.3117 2.6518 1.8290 1.4591 0.1331 0.0550 10.2348 0.0543 13.1030 8.4102 9.1864 8.6961 2.0775 21.9185 6.3189 14.0803 10.9109 9.0160 3.7585 4.6414 81.6360 28.8990 10.0092 44.8626 7.1826 3.4112 26.9660 45.4825 2.6200 12.5366 0.4406 2.2013 23.6388 12.9888 144.6235 39.3711 128.3361 17.8841 3.8436 0.0261 6.4490 12.1056 62.7808 12.3660 30.9381 24.5127 37.2443 33.4747 3.2019 28.5878 1.1018 7.0232 2.2525 16.6700 17.5292 0.1800 1.0249 3.0622 1.2971 1.1816 40.8585 6.9561 9.4364 0.7191 2.1792 9.6335 3.2222 18.3000 37.2523 63.4201 188.0966 2.1383 197.1659 292.2370 5.1629 151.0262 201.3455 32.9617 20.2420 25.1233 451.4048 122.5222 125.8609 4.4805 15.5853 40.1057 282.0737 149.0860 168.3573 18.8051 4.3058 8.2794 19.6298 64.1044 8.7758 2.9467 18.9701 5.4378 21.0162 6.9956 14.9568 9.5847 37.6334 43.4291 125.7430 129.4737 195.2638 3.7817 184.6597 538.0248 554.4652 59.1900 71.8949 62.0819 1.7387 267.6729 170.9997 204.0701 41.8139 37.9719 44.5260 19.3284 28.3887 0.2526 19.4812 29.5583 31.8398 0.7400 23.6003 14.9784 15.7477 21.7217 22.0131 27.1165 19.9990 10.7283 1.8092 12.5303 1.8916 40.3697 55.1751 92.1726 33.9973 2.4975 3.3746 3.4127 3.0962 0.5832 0.4281 0.4647 3.1467 0.6636 0.5243 0.9132 2.8776 0.5724 0.2168 0.6427 0.3230 0.3389 2.8484 1.2743 0.6349 0.2589 2.2676 0.5095 0.7149 2.0928 0.6870 1.8175 0.2047 0.8783 0.5439 1.4626 0.3751 1.3972 1.9461 2.3588 0.4942 3.6471 0.4979 0.7967 0.3405 0.4484 0.1453 7.5007 4.3591 2.6737 0.6972 11.3598 7.0844 4.7241 0.2755 1.7802 0.5802 1.7769 1.5946 5.9446 2.4197 2.5143 0.9353 8.2476 12.3498 13.2970 0.0664 1.6432 1.3321 4.3456 2.3531 4.0383 12.3008 1.4043 1.2929 3.7599 1.7178 9.0259 12.7412 0.7607 18.4548 2.1861 1.2098 1.4116 2.3370 5.1741 0.8325 8.3350 3.5589 1.6532 0.7276 1.4115 1.2915 0.6874 11.2389 7.3780 2.2329 3.7418 5.3000 1.1944 0.7796 0.5012 2.7500 8.6684 10.3772 1.2533 1.2112 3.6305 25.6779 12.2129 13.1419 3.1913 15.8182 9.1163 16.7048 5.9595 13.0082 12.4948 7.1112 7.7725 7.0705 4.8921 7.2978 6.4155 11.4918 2.8857 17.5317 12.5489 14.0248 17.6826 19.4554 3.9688 11.7187 4.5845 7.3802 0.4640 8.7442 11.7919 24.2644 21.1970 30.8779 81.1784 14.1770 4.3488 11.8359 124.6047 66.8895 193.3668 130.3737 30.2749 134.7651 2.2228 72.2651 95.0585 75.6192 69.6599 70.4879 1.2944 62.1323 58.2102 93.5556 95.2745 29.2207 88.7720 119.9630 69.4172 75.9928 16.3405 79.9074 46.8252 0.7493 0.7492 0.7499 0.7486 0.7375 0.7497 0.7250 0.6952 0.5888 0.7488 0.7494 0.6977 0.7233 0.7449 0.7493 0.7159 0.6012 0.3693 0.6189 0.7496 0.7493 0.1578 0.7325 0.7211 0.7467 0.2430 0.7494 0.6728 0.7472 0.6678 0.3828 0.7500 0.0794 0.5305 0.7500 0.6206 0.6969 0.3701 0.7190 0.6727 0.2582 0.7492 0.3994 0.7500 0.6041 0.7078 0.2917 0.4391 0.2209 0.7464 0.7102 0.7465 0.5967 0.2094 0.3102 0.4505 0.6538 0.7386 0.3000 0.2043 0.1326 0.6771 0.5977 0.4627 0.3166 0.7109 0.2661 0.1633 0.7492 0.4971 0.5756 0.7500 0.1475 0.1509 0.2273 0.1412 0.6813 0.7496 0.6779 0.6552 0.6767 0.1806 0.1866 0.3934 0.1966 0.7254 0.6983 0.3456 0.7499 0.1138 0.1247 0.2685 0.7422 0.6441 0.7269 0.7413 0.5599 0.3352 0.1828 0.5015 0.6698 0.2393 0.1778 0.1355 0.3252 0.7013 0.3824 0.7239 0.2017 0.6582 0.5832 0.2866 0.7024 0.5595 0.3974 0.5740 0.6834 0.4225 0.6466 0.6136 0.6152 0.7499 0.6613 0.7459 0.7230 0.7499 0.5425 0.7370 0.7007 0.5054 0.2478 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 0.1165 0.1145 0.5718 0.7316 0.6436 0.7496 0.7500 0.4855 0.6588 0.7491 0.3319 0.3067 0.5170 0.4041 0.1518 0.2299 0.1633 0.3424 0.1421 0.1333 0.8567 0.8566 0.8571 0.8562 0.8489 0.8570 0.8406 0.8202 0.7412 0.8563 0.8567 0.8219 0.8394 0.8538 0.8567 0.8344 0.7509 0.5394 0.7646 0.8569 0.8567 0.2726 0.8456 0.8379 0.8550 0.3910 0.8567 0.8044 0.8553 0.8008 0.5537 0.8571 0.1470 0.6932 0.8571 0.7659 0.8214 0.5403 0.8365 0.8043 0.4104 0.8566 0.5709 0.8571 0.7532 0.8289 0.4516 0.6103 0.3618 0.8548 0.8305 0.8548 0.7474 0.3463 0.4735 0.6211 0.7906 0.8497 0.4615 0.3393 0.2342 0.8075 0.7482 0.6327 0.4810 0.8311 0.4204 0.2808 0.8566 0.6641 0.7306 0.8571 0.2570 0.2622 0.3704 0.2474 0.8104 0.8569 0.8081 0.7917 0.8072 0.3059 0.3146 0.5646 0.3287 0.8409 0.8224 0.5137 0.8571 0.2044 0.2217 0.4233 0.8520 0.7836 0.8419 0.8514 0.7179 0.5021 0.3091 0.6680 0.8023 0.3862 0.3019 0.2387 0.4908 0.8244 0.5532 0.8399 0.3357 0.7938 0.7367 0.4455 0.8252 0.7175 0.5688 0.7294 0.8119 0.5941 0.7854 0.7605 0.7617 0.8571 0.7961 0.8544 0.8392 0.8571 0.7034 0.8486 0.8240 0.6714 0.3971 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 0.2087 0.2055 0.7276 0.8450 0.7832 0.8569 0.8571 0.6536 0.7943 0.8566 0.4984 0.4694 0.6816 0.5756 0.2636 0.3738 0.2808 0.5101 0.2489 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 19828.3856 56096.5195 74387.9439 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 10.30 22.14 27.27 30.95 41.64 49.18 56.83 68.74 72.57 85.50 106.03 142.32 144.68 174.87 187.87 208.05 211.80 246.39 252.02 256.47 265.36 288.82 322.01 325.94 340.26 383.20 405.37 432.81 454.48 472.25 500.99 512.71 517.57 551.92 564.01 615.15 692.27 711.66 720.84 722.30 769.52 794.97 817.15 834.58 850.43 854.46 863.06 881.96 891.77 926.62 939.18 939.55 951.23 976.58 1002.89 1046.56 1100.04 1125.37 1135.82 1144.05 1146.94 1206.89 1229.53 1273.88 1287.37 1302.51 1320.28 1347.96 1434.79 1439.65 1450.04 1490.31 1510.26 1531.54 1554.49 1558.04 1566.90 1577.40 1594.04 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 1861.72 1869.41 1880.51 1895.95 1902.57 1950.03 2001.66 2014.16 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 2373.86 2391.21 2398.82 2411.75 2422.76 2470.18 2519.17 2549.07 2580.46 2603.80 2624.13 2820.91 2900.74 3000.02 4584.05 4585.72 4606.57 4631.86 4644.72 4645.67 4653.23 4664.87 4686.67 4699.37 4718.12 4718.52 4725.95 4736.94 4748.82 4821.14 4835.29 4881.11 4884.46 4905.77 4944.47 5495.90 5529.74 5532.34 5586.74 0.483980 0.515847 0.516792 0.407945 -4331.840053 -4331.808186 -4331.807242 -4331.916089 3.650746D-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| 98.867868 170.234664 24.675353 74.608593 24 6 7 8 19 4 1 |36.858105| |12.608009|36.858105| |7.541002|13.738917|36.858105| |5.009229|7.893781|13.771555|36.858105| |4.421033|6.807839|7.936043|13.740349|36.858105| |4.993458|7.828186|6.854421|7.905712|13.646176|36.858105| |7.548287|13.722848|8.021233|6.928452|7.966947|13.729327|36.858105| |3.785267|5.001199|4.439326|5.004722|7.507107|12.597593|7.578996|36.858105| |3.326120|4.517834|5.136742|7.783548|13.426107|7.875148|5.174098|6.654369|53.358707| |2.860480|3.682594|4.324451|6.257200|7.652961|5.211750|3.937902|4.650451|19.101742|36.858105| |2.883299|3.659342|4.501142|6.456470|6.563322|4.556083|3.697490|3.891836|11.452790|15.884339|73.516695| |2.359962|2.900714|3.243499|4.227762|5.026893|3.996529|3.138342|3.963843|10.753555|12.518885|14.209982|36.858105| |2.084573|2.484853|2.788466|3.479872|3.816009|3.142714|2.608085|3.082647|6.952847|7.582652|12.353520|12.516537|36.858105| |1.811158|2.110649|2.310100|2.771323|3.034109|2.628713|2.226613|2.667145|5.268293|4.930874|7.982976|7.572887|12.593158|36.858105| |1.758163|2.042683|2.197779|2.610559|2.917209|2.590871|2.186343|2.706929|5.066691|4.424036|6.847834|6.805767|7.939760|16.015716|73.516695| |1.648092|1.887580|2.066737|2.422815|2.568936|2.252584|1.959143|2.257690|4.237527|3.858753|6.704481|5.066930|7.838154|13.709838|15.035088|53.358707| |1.485015|1.678548|1.809989|2.079025|2.207250|1.985321|1.747673|2.019886|3.556411|3.080829|5.305210|3.894262|5.152164|8.007544|12.557869|18.861163|53.358707| |1.385232|1.553184|1.670652|1.899650|1.999053|1.810082|1.609462|1.838068|3.173762|2.682335|4.615671|3.303507|4.069458|5.748185|9.979710|10.776510|18.966535|36.858105| |1.256797|1.394809|1.480410|1.658224|1.750000|1.616490|1.450754|1.660962|2.731106|2.238918|3.832989|2.684385|3.112907|4.086921|7.603908|6.663344|9.962234|11.552363|388.023441| |1.411866|1.583933|1.721118|1.962088|2.036098|1.822192|1.625684|1.822509|3.222657|2.739299|4.764786|3.325888|4.081434|5.409751|9.011886|9.753133|11.392042|13.977321|49.983779|53.358707| |1.322423|1.470097|1.593280|1.794051|1.842607|1.661372|1.499572|1.655187|2.862162|2.377387|4.153116|2.787547|3.241905|3.960945|6.838702|6.432967|7.132411|7.624748|41.327010|18.533718|36.858105| |1.225963|1.352707|1.453829|1.620090|1.665842|1.520447|1.381616|1.523900|2.559334|2.091607|3.647467|2.420070|2.751979|3.314192|5.869558|5.257961|6.073528|6.434513|43.313937|11.298406|16.204677|73.516695| |1.376865|1.531636|1.676482|1.890179|1.913666|1.707996|1.547464|1.676960|2.954587|2.453885|4.326451|2.814477|3.210728|3.681259|6.236296|5.664515|5.625047|5.103978|28.519186|10.805701|12.488194|14.171815|36.858105| |1.274098|1.402325|1.526133|1.695659|1.704997|1.538565|1.410431|1.509635|2.584313|2.104157|3.724430|2.351616|2.609208|2.907683|5.008919|4.378382|4.435766|3.943221|24.318118|7.243872|8.078228|12.806897|13.791480|73.516695| |1.277814|1.400314|1.528722|1.687736|1.677996|1.513183|1.397543|1.471765|2.512786|2.026240|3.607091|2.213552|2.403950|2.583848|4.443236|3.779703|3.720372|3.145086|19.663630|5.461044|5.226777|8.491360|8.052156|25.064064|36.858105| |1.379192|1.516869|1.672501|1.853478|1.822974|1.627079|1.503276|1.564279|2.723076|2.199558|3.938692|2.368959|2.544550|2.652603|4.512035|3.793551|3.597073|2.928743|17.895443|5.034827|4.398979|6.840127|6.729961|13.981354|13.785242|36.858105| |1.349188|1.470664|1.619243|1.770919|1.723556|1.547657|1.446189|1.479086|2.529518|2.010554|3.615415|2.114785|2.224505|2.268874|3.880264|3.193227|3.027376|2.414129|15.134924|3.967041|3.338318|5.406622|4.517317|9.254929|7.980967|13.708775|36.858105| |1.233292|1.332359|1.452815|1.571707|1.534462|1.394586|1.311884|1.340687|2.234468|1.758712|3.155509|1.846222|1.935685|1.989080|3.433347|2.811352|2.718721|2.181055|14.064029|3.506336|2.984475|5.035372|3.808512|8.251308|6.909283|7.934545|13.858408|36.858105| |1.157266|1.248999|1.352871|1.463584|1.441852|1.318296|1.237592|1.278694|2.108921|1.662086|2.969588|1.765127|1.866454|1.954212|3.393890|2.797884|2.763827|2.260143|14.844654|3.629041|3.195186|5.578475|3.983600|9.393324|7.866216|6.782191|7.881502|13.630570|36.858105| |1.177281|1.278382|1.385232|1.511227|1.500461|1.367872|1.274167|1.333869|2.220160|1.766697|3.145665|1.907709|2.046647|2.186527|3.797144|3.179642|3.179727|2.667857|17.427190|4.399473|4.095126|7.207951|5.291116|14.625935|13.688985|7.930165|6.927312|8.020685|13.789982|36.858105| |1.063661|1.139418|1.225193|1.313690|1.295518|1.195533|1.129304|1.163657|1.880292|1.469251|2.622979|1.551696|1.631092|1.705985|2.980608|2.436795|2.432540|1.978481|13.322856|3.087776|2.670956|4.801598|3.122298|7.028795|5.013561|4.413157|5.001086|7.486013|12.633096|7.598518|36.858105| |1.188178|1.269606|1.378798|1.469830|1.423121|1.303707|1.241269|1.247553|2.037859|1.580959|2.844787|1.628289|1.680462|1.698378|2.940146|2.369984|2.285217|1.797752|11.752833|2.803412|2.301729|3.926115|2.773478|5.637003|4.087826|4.599156|6.736985|10.007766|6.627156|4.592912|5.982336|2539.412838| |17.529219|8.841121|6.242609|4.437572|3.973271|4.439651|6.272469|3.498400|4.187369|2.710566|4.927989|2.249374|2.017884|1.755322|3.015931|2.189426|1.977497|1.350377|8.732894|1.864882|1.280742|2.115195|1.326772|2.184159|1.228470|1.319782|1.288817|1.181765|1.113064|1.133956|1.025532|38.714807|0.500000| |17.567123|8.831817|5.644142|4.198828|3.956841|4.688973|7.075153|3.766985|4.180700|2.621142|4.601430|2.214755|1.949580|1.717678|2.995154|2.125183|1.930237|1.328481|8.631243|1.837594|1.268582|2.099415|1.316881|2.173710|1.225886|1.318186|1.291324|1.185561|1.115281|1.133594|1.028581|38.958842|0.302115|0.500000| |17.569527|8.838246|7.086677|4.701445|3.953661|4.178074|5.638969|3.242878|4.172224|2.698071|4.901331|2.241227|2.002449|1.745302|3.001896|2.178021|1.963124|1.353208|8.721202|1.890037|1.308394|2.156075|1.371827|2.266524|1.286773|1.395694|1.374863|1.256746|1.173496|1.187689|1.078882|41.475348|0.302165|0.301745|0.500000| |6.975329|8.914182|17.703645|8.969862|5.656514|4.941423|5.674538|3.549337|5.675565|3.753272|7.206242|2.904117|2.581749|2.158558|3.627128|2.674268|2.349232|1.602891|10.106647|2.262074|1.549600|2.516687|1.641436|2.673307|1.516710|1.666671|1.627013|1.461181|1.354275|1.378692|1.227936|47.549849|0.166983|0.143061|0.212295|0.500000| |4.090697|5.636538|8.936511|17.796281|8.939515|5.638668|4.986943|4.082465|9.697569|6.790603|13.994749|4.493053|3.811794|2.965309|4.860239|3.554863|3.003711|2.015797|12.346944|2.869700|1.924747|3.063305|2.051166|3.251698|1.826282|2.026403|1.930799|1.696113|1.569759|1.622307|1.398628|53.681966|0.103621|0.096852|0.111713|0.216852|0.500000| |7.023780|8.942406|5.683044|4.978847|5.665550|8.972626|17.693337|7.098566|5.712554|3.315138|5.520876|2.767407|2.334821|2.037705|3.593479|2.456611|2.219446|1.507992|9.770136|2.061596|1.402748|2.312880|1.439500|2.345723|1.306233|1.396299|1.346407|1.229843|1.164991|1.198033|1.068875|39.743422|0.169146|0.212876|0.143403|0.124494|0.108067|0.500000| |3.357812|4.296934|3.956136|4.523970|6.527816|8.777787|5.948408|17.500460|8.822050|4.535625|6.559137|4.078221|3.101415|2.737791|5.048329|3.120779|2.805179|1.891983|12.179434|2.560483|1.714083|2.805127|1.739524|2.781889|1.525847|1.622564|1.532216|1.387149|1.322750|1.380995|1.201775|43.821221|0.084955|0.094085|0.082405|0.090124|0.106357|0.156740|0.500000| |3.842551|4.779314|3.994982|4.181678|5.564893|8.870636|7.328282|17.599225|6.603985|3.699151|5.749979|3.249321|2.640539|2.336733|4.227890|2.744815|2.491688|1.677330|10.912881|2.256652|1.517111|2.502515|1.532776|2.474567|1.359777|1.438907|1.368383|1.249398|1.194489|1.241666|1.093819|39.826179|0.099774|0.110454|0.089771|0.090829|0.096125|0.228474|0.303218|0.500000| |3.318975|4.256228|3.967304|4.596138|6.741120|8.814720|5.826327|17.544563|9.293037|5.034596|7.376475|4.384481|3.396769|2.920637|5.263715|3.329047|2.968661|1.955478|12.537528|2.608227|1.720047|2.811823|1.724235|2.741820|1.490841|1.575051|1.477599|1.339240|1.283928|1.347593|1.167445|42.116020|0.088054|0.090096|0.080152|0.090351|0.108446|0.151313|0.301529|0.302175|0.500000| |3.066536|4.033045|4.308129|5.836108|9.247310|7.327068|4.816917|7.501966|26.084946|9.489711|10.889395|7.739053|4.827046|3.888800|6.970006|4.180003|3.571396|2.355900|14.563242|3.227382|2.108374|3.367972|2.157873|3.358909|1.829092|1.967691|1.823784|1.618215|1.534976|1.619889|1.371649|50.133604|0.078583|0.080923|0.078289|0.099007|0.147762|0.113693|0.229369|0.146400|0.213911|0.500000| |2.286519|2.789289|3.111942|4.002670|4.670343|3.769730|3.002610|3.746290|9.539230|8.928669|11.174882|17.547620|8.843854|6.923423|12.170226|6.474471|5.128406|3.340843|19.317128|4.706189|2.946054|4.516419|3.032894|4.479814|2.383516|2.575615|2.288707|1.980376|1.883661|2.037420|1.644041|59.075021|0.059798|0.060109|0.060898|0.077969|0.118568|0.073956|0.111777|0.086035|0.110175|0.205613|0.500000| |2.304193|2.814863|3.036062|3.834182|4.762425|4.052843|3.140582|4.319507|9.875539|8.859062|10.808308|17.572534|8.847650|6.914462|12.493559|6.343230|5.156587|3.192332|19.017862|4.216669|2.603981|4.093839|2.565121|3.861448|2.033698|2.142279|1.923590|1.702896|1.642900|1.775057|1.458594|51.411665|0.061312|0.060788|0.060045|0.074800|0.107818|0.078373|0.124425|0.097889|0.139283|0.223505|0.305152|0.500000| |2.092358|2.482942|2.769383|3.409466|3.721847|3.112462|2.604334|3.053809|6.510896|6.906464|12.305055|8.848337|17.540257|8.966596|11.113998|9.481191|6.590178|3.729485|20.896608|4.925529|2.908342|4.481190|2.836947|4.190478|2.177224|2.283267|2.021142|1.780802|1.724793|1.881522|1.522846|53.163620|0.057003|0.054126|0.055499|0.071306|0.102509|0.064986|0.083039|0.073336|0.095457|0.122996|0.173367|0.211333|0.500000| |2.083144|2.470675|2.834789|3.538454|3.686560|2.983241|2.528240|2.831455|6.425045|6.974863|12.988584|8.838751|17.578346|8.913631|10.805774|9.891044|6.505273|3.956392|21.223783|5.737607|3.399277|5.038744|3.503843|5.007036|2.619866|2.828331|2.456296|2.104115|2.007840|2.200020|1.735963|61.744040|0.055898|0.053728|0.056283|0.074264|0.112124|0.062481|0.078936|0.067972|0.084396|0.119777|0.209816|0.173392|0.305833|0.500000| |1.663838|1.900859|2.093912|2.446994|2.556333|2.231573|1.955386|2.207617|4.148504|3.827137|6.956479|4.722203|7.493670|9.300936|10.944946|25.967936|13.003268|6.202800|29.924733|7.971364|4.170180|6.184016|3.790523|5.346992|2.638759|2.667215|2.271534|2.004648|1.987119|2.238709|1.737714|57.972955|0.045387|0.043530|0.044930|0.055641|0.073835|0.049912|0.061396|0.054954|0.066546|0.081720|0.118751|0.119238|0.209587|0.206903|0.500000| |1.464243|1.652468|1.763853|2.016410|2.165538|1.973917|1.735166|2.037944|3.482700|2.967948|5.046670|3.746062|4.746015|7.131755|12.371309|12.770192|25.993469|9.554584|51.146207|8.231853|4.280824|6.848848|3.453379|5.034980|2.417379|2.338878|2.004463|1.819582|1.851694|2.106982|1.650231|52.768253|0.039902|0.038985|0.039301|0.046489|0.058721|0.045243|0.057692|0.051521|0.061676|0.072117|0.099170|0.105616|0.128668|0.117068|0.205429|0.500000| |1.512161|1.709056|1.876755|2.164184|2.236031|1.970438|1.747953|1.950725|3.576475|3.114387|5.463030|3.818680|4.896108|6.435398|9.880403|12.024825|11.098557|9.562640|38.104861|26.012646|9.316158|10.825789|7.836613|8.992751|4.014144|3.901759|3.056551|2.635409|2.659485|3.168178|2.238917|71.870454|0.040695|0.039956|0.041346|0.050333|0.065367|0.044887|0.055793|0.048906|0.056995|0.072309|0.110306|0.095648|0.116847|0.146593|0.198052|0.160421|0.500000| |1.429497|1.593307|1.760455|1.992169|1.995142|1.762652|1.598400|1.711922|3.075062|2.596463|4.672412|2.938390|3.442633|3.823664|6.193786|6.039484|5.696592|4.852520|26.194394|10.045801|8.857981|10.817972|17.509777|16.570377|7.051837|6.731746|4.571501|3.745907|3.776736|4.772808|2.967626|94.194826|0.038341|0.037752|0.039646|0.048113|0.060752|0.041085|0.048949|0.043349|0.048966|0.061509|0.086666|0.073119|0.084819|0.108177|0.116375|0.095752|0.232826|0.500000| |1.446461|1.618914|1.773883|2.014679|2.052368|1.824514|1.642223|1.794015|3.199946|2.646466|4.587533|3.076227|3.419203|3.918323|6.799589|5.687637|5.483227|4.816002|26.990153|9.611522|8.941349|11.223958|17.513812|16.533684|7.111400|6.797339|4.610371|3.774563|3.803731|4.806731|2.984776|94.772220|0.038492|0.038490|0.040004|0.047997|0.060712|0.042332|0.052164|0.045311|0.051025|0.065413|0.094948|0.077330|0.081798|0.103241|0.103093|0.094810|0.205151|0.300607|0.500000| |1.487344|1.651391|1.837189|2.062564|2.026930|1.785979|1.636826|1.708394|3.061705|2.508355|4.499029|2.717488|2.940351|3.036563|5.092457|4.311451|3.969171|3.182641|18.791897|5.581955|4.654590|6.875646|7.382699|12.404594|8.849549|17.762317|8.953278|5.665067|4.908515|5.622918|3.535035|130.859272|0.039448|0.039326|0.041751|0.050712|0.063288|0.041949|0.049251|0.043318|0.047851|0.061149|0.082866|0.067079|0.072054|0.092715|0.083885|0.070851|0.125705|0.222783|0.224280|0.500000| |1.422835|1.550874|1.718561|1.876011|1.806540|1.614478|1.514183|1.528569|2.631164|2.082342|3.762788|2.154909|2.238898|2.235251|3.807600|3.100094|2.893928|2.262466|14.121223|3.665388|2.974776|4.784137|3.902418|7.449703|5.669881|8.924418|17.751440|8.972553|5.627612|4.982852|4.082079|222.910266|0.037617|0.037737|0.040494|0.048240|0.057140|0.039017|0.043955|0.039236|0.042178|0.052401|0.064920|0.054100|0.056484|0.069128|0.061612|0.053474|0.079685|0.112584|0.113405|0.216859|0.500000| |1.119470|1.213067|1.307237|1.422992|1.420596|1.302697|1.213678|1.278285|2.102870|1.670448|2.966124|1.812932|1.951436|2.110220|3.688031|3.094066|3.160306|2.689809|18.056121|4.365144|4.143578|7.737548|4.931964|13.645223|8.997031|5.671318|4.982524|5.667475|8.912972|17.739972|7.018548|129.359030|0.030035|0.030005|0.031281|0.036053|0.042201|0.031814|0.036733|0.033150|0.035990|0.042768|0.053450|0.047286|0.050168|0.057633|0.060415|0.058498|0.084987|0.120766|0.121401|0.124256|0.108070|0.500000| |1.051364|1.123807|1.204439|1.287338|1.270937|1.177433|1.114617|1.147542|1.838833|1.425847|2.533607|1.502079|1.561784|1.628786|2.866018|2.300230|2.292670|1.854836|12.558758|2.866739|2.447189|4.393915|2.830853|6.170267|4.297216|3.955422|4.579895|6.659335|8.865567|5.909862|17.569539|211.006196|0.028097|0.028322|0.029649|0.033515|0.037927|0.029365|0.033012|0.030021|0.031868|0.037381|0.044373|0.039342|0.040463|0.045950|0.045415|0.043468|0.057831|0.074305|0.077101|0.090196|0.107910|0.152591|0.500000| |1.026553|1.099762|1.178545|1.264503|1.253430|1.160183|1.094150|1.135044|1.824281|1.426911|2.541502|1.516402|1.601209|1.691558|2.965960|2.432410|2.459997|2.020551|13.812604|3.133975|2.744581|5.062994|3.118832|7.131254|4.782705|3.972269|4.177292|5.555350|8.887908|7.348398|17.601378|152.038155|0.027553|0.027608|0.028833|0.032714|0.037282|0.028828|0.032552|0.029672|0.031736|0.037063|0.044481|0.039802|0.041647|0.047048|0.048087|0.046461|0.062206|0.081139|0.081550|0.090421|0.096049|0.225562|0.300998|0.500000| 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