Version2.1 2021-01-07T00:58:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 20-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc2c(c(c1)Cl)NC(=O)[C@]23[C@H]4[C@@H]([C@@H]([NH2+]3)CCSC)C(=O)N(C4=O)CCc5ccccc5 C12886368 RHF 6-31G(d) (6D,7F) Cc1cc2c(c(c1)Cl)NC(=O)[C@]23[C@H]4[C@@H]([C@@H]([NH2+]3)CCSC)C(=O)N(C4=O)CCc5ccccc5 C01[X(C25H27Cl1N3O3S1)] 174 C1 557 CSCC[C@@H]1[NH2+][C@]2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(C)cc1Cl CSCC[C@@H]1[NH2+][C@]2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(C)cc1Cl CSCC[C@@H]1[NH2+][C@]2([C@H]3[C@@H]1C(=O)N(CCc4ccccc4)C3=O)C(=O)Nc5c(Cl)cc(C)cc25 InChIKey=RXRYIIZTKXZRTH-PBQROFAYSA-O InChI=1S/C25H26ClN3O3S/c1-14-12-16-21(17(26)13-14)27-24(32)25(16)20-19(18(28-25)9-11-33-2)22(30)29(23(20)31)10-8-15-6-4-3-5-7-15/h3-7,12-13,18-20,28H,8-11H2,1-2H3,(H,27,32)/p+1/t18-,19+,20-,25+/m0/s1 InChI=1/C25H26ClN3O3S/c1-14-12-16-21(17(26)13-14)27-24(32)25(16)20-19(18(28-25)9-11-33-2)22(30)29(23(20)31)10-8-15-6-4-3-5-7-15/h3-7,12-13,18-20,28H,8-11H2,1-2H3,(H,27,32)/p+1/t18-,19+,20-,25+/m0/s1/fC25H27ClN3O3S/h27-28H/q+1 Cc1cc2c(c(c1)Cl)NC(=O)[C@]23[C@H]4[C@@H]([C@@H]([NH2+]3)CCSC)C(=O)N(C4=O)CCc5ccccc5 C01[X(C25H27Cl1N3O3S1)] 174 C01 557 CSCC[C@@H]1[NH2+][C@]2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(C)cc1Cl CSCC[C@@H]1[NH2][C@]2([C@H]3[C@@H]1C(=O)N(C3=O)CC[C]1[CH][CH][CH][CH][CH]1)C(=O)N[C]1[C]2[CH][C]([CH][C]1Cl)C CSCC[C@@H]1[NH2][C@]2([C]3[CH][C](C)[CH][C](Cl)[C]3NC2=O)[C@H]4[C@@H]1C(=O)N(CC[C]5[CH][CH][CH][CH][CH]5)C4=O InChIKey=ZBTFYPOVVMMOOB-PBQROFAYSA-N InChI=1S/C25H27ClN3O3S/c1-14-12-16-21(17(26)13-14)27-24(32)25(16)20-19(18(28-25)9-11-33-2)22(30)29(23(20)31)10-8-15-6-4-3-5-7-15/h3-7,12-13,18-20H,8-11,28H2,1-2H3,(H,27,32)/t18-,19+,20-,25+/m0/s1 InChI=1/C25H27ClN3O3S/c1-14-12-16-21(17(26)13-14)27-24(32)25(16)20-19(18(28-25)9-11-33-2)22(30)29(23(20)31)10-8-15-6-4-3-5-7-15/h3-7,12-13,18-20H,8-11,28H2,1-2H3,(H,27,32)/t18-,19+,20-,25+/m0/s1/f/h27H 3722.2056030750 -2207.2186605 1-A 20088.9526 127 430 557 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.94522 -92.03711 -20.70212 -20.68537 -20.68161 -15.86897 -15.75704 -15.74581 -11.52304 -11.50349 -11.49813 -11.48910 -11.46173 -11.43347 -11.42665 -11.42130 -11.41082 -11.39428 -11.38443 -11.38309 -11.38203 -11.37471 -11.37394 -11.37171 -11.34310 -11.32970 -11.32868 -11.31472 -11.30197 -11.30107 -11.29896 -11.29831 -11.29602 -10.67817 -9.04742 -8.14756 -8.14413 -8.14399 -6.73037 -6.72888 -6.72671 -1.57527 -1.56420 -1.54255 -1.50748 -1.44358 -1.41291 -1.31254 -1.27564 -1.26742 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0.1479 0.2048 0.2201 0.2208 0.2171 0.1712 0.3119 0.3982 0.2392 0.3659 0.5340 0.8456 0.7638 0.3560 0.7909 0.5670 0.7918 0.6008 0.2795 0.7686 1.1182 0.8493 0.6189 0.9381 1.4988 1.6753 1.7364 1.7748 1.7471 1.8535 0.7405 1.8826 1.2063 0.8110 0.7962 0.8621 1.9976 0.7275 1.7396 1.4536 2.1675 1.5328 1.9606 2.9457 1.9295 0.6770 1.3405 1.0854 1.4187 1.5445 0.9209 0.9097 1.4604 0.8959 1.2093 4.3933 1.2625 1.2497 0.9806 1.7378 2.5323 1.8291 2.5329 1.0829 1.6228 2.2083 2.3977 1.2462 1.7311 1.4754 1.9866 2.2710 1.5543 3.8971 2.1339 1.5516 1.1987 1.6840 2.4374 1.9820 1.8285 1.9844 1.5797 2.1156 1.4254 2.1025 1.8711 1.7754 1.9435 1.9431 1.9606 1.7836 2.0179 1.6865 2.2770 1.9008 2.5099 1.6763 3.2716 2.7444 1.8025 2.1658 3.1748 1.8631 4.3348 1.6157 3.2748 1.6614 1.6743 1.7673 1.6605 2.0049 1.7662 1.7522 4.6946 3.6134 9.7896 11.7725 10.1577 2.1555 12.1610 29.5686 25.9535 30.5078 6.3903 6.4406 6.3265 6.5578 6.3403 6.8844 6.8541 6.9769 6.9354 6.7673 7.0834 7.0583 7.0112 7.1757 7.2178 7.2007 7.2858 7.2764 7.2192 7.3020 7.3787 7.3792 7.4614 7.4444 8.3526 8.9850 9.4792 0.1820 0.2276 0.3687 0.1797 0.2967 0.2960 1.8561 4.1042 0.1122 0.6385 1.5761 0.7642 0.4876 0.3108 0.7193 10.6934 4.1286 0.5227 1.7888 0.2689 1.0034 1.4582 5.6164 0.8262 9.9690 5.0225 3.0514 0.7341 4.3101 5.4477 10.3128 1.7644 3.9391 11.1702 22.1642 19.7760 0.0021 3.2379 13.6113 2.5715 6.1818 105.6571 3.1837 2.5577 21.9475 25.1579 6.9572 15.2713 21.1587 0.1162 28.2046 2.3551 9.7082 20.2488 4.5371 11.4658 3.1052 19.6505 5.1034 3.9814 34.7664 13.2208 12.8010 1.6235 28.8222 18.8526 23.3836 3.4786 0.0630 12.4450 11.3634 14.9206 6.7516 0.4299 0.9029 2.0962 1.9163 5.5301 1.1860 1.1274 4.3514 0.0134 43.7413 5.6397 4.6619 32.8535 0.6735 2.5804 6.8686 3.6570 2.8943 10.6066 1.7985 69.0639 26.3548 2.2235 1.3429 13.6864 53.5494 1.2047 5.6076 0.3724 91.0995 28.6035 34.7229 1.5139 4.7663 16.6620 6.7666 5.6177 19.2241 47.8259 10.4510 37.0123 3.6454 168.9868 5.9583 21.4483 52.8343 199.1499 17.4332 296.5389 17.7919 15.2820 19.4433 186.9890 9.9117 9.5748 12.3358 9.0957 5.9575 14.1865 30.5909 10.2602 36.9720 0.7930 3.8628 112.3959 15.0971 3.4843 24.5411 2.3681 63.6429 54.4571 776.4533 690.9601 19.2137 55.8191 39.7201 18.9224 9.7676 30.2729 17.1974 17.1405 15.1601 0.6880 11.6551 14.5083 2.2840 1.5607 12.1173 3.6885 12.1256 4.2153 8.9474 1.5035 3.1152 29.1549 5.1031 19.8775 0.2696 41.1660 68.4798 168.5059 1.9165 1.1398 1.5051 4.9503 2.2875 1.0130 1.7583 0.6815 1.8327 0.6217 1.0483 3.8171 0.3533 0.4673 0.4711 0.3455 0.6594 1.3040 2.6784 0.7435 0.6451 2.2425 3.1127 2.3660 0.8836 3.8110 2.9166 1.6922 1.3596 0.5156 2.0396 0.1520 1.3736 1.6211 1.6462 4.0387 0.0804 12.5374 2.7157 1.1062 1.9143 1.0647 1.7155 0.2689 0.0733 0.4255 0.6212 1.5164 3.0973 5.2242 3.5066 5.1940 2.7708 0.8313 25.8288 4.4595 0.9655 0.3336 0.5893 1.1410 8.1172 5.1883 9.0425 3.6853 10.6474 12.4365 4.3400 5.6383 2.4377 2.1203 7.9463 8.1501 0.9659 1.2534 0.7662 2.6864 6.5102 0.4572 28.3563 7.2648 1.7944 0.0182 6.8536 5.9452 11.8207 7.0125 0.7913 10.5182 4.0019 7.8159 0.7088 2.6451 0.3316 0.8079 5.8261 6.2363 13.2008 1.7245 4.6311 3.4379 3.0135 7.4356 7.1674 0.1955 1.0050 3.7509 3.7841 2.2188 12.9501 8.1868 3.0822 17.3841 4.9812 1.7021 2.8895 4.0375 0.3508 6.0871 9.0735 2.9060 0.6695 3.1060 11.3712 7.3464 4.7531 8.9163 8.4074 7.7622 21.5895 0.4298 0.5906 22.0476 21.2970 16.9269 8.6070 9.1982 4.2626 14.0409 0.2698 8.6029 19.1135 39.7594 4.9504 27.4360 1.9308 18.8763 27.9911 59.8895 67.7781 145.4150 65.2560 115.3618 45.7383 43.5329 73.5791 41.3357 45.1638 73.1418 25.5525 80.8089 63.1586 109.0112 52.9827 37.7535 21.2489 40.0432 91.7976 55.0912 67.2864 271.1270 98.8932 25.2647 22.1486 77.2952 0.7500 0.7445 0.7468 0.7498 0.7485 0.7341 0.7293 0.7470 0.7499 0.7399 0.7382 0.7241 0.7445 0.5538 0.7494 0.2946 0.5547 0.5456 0.3659 0.5304 0.6156 0.2668 0.5097 0.3655 0.2966 0.5998 0.6864 0.2868 0.6381 0.7364 0.6167 0.6991 0.6561 0.5243 0.6084 0.6360 0.7417 0.1821 0.1061 0.4997 0.5479 0.7431 0.7253 0.7158 0.7193 0.5485 0.6766 0.2394 0.2708 0.7419 0.2362 0.2054 0.3745 0.4925 0.2306 0.7366 0.3757 0.2333 0.7175 0.4539 0.1358 0.7462 0.4044 0.0906 0.1383 0.1323 0.5433 0.6619 0.7489 0.5877 0.1564 0.2221 0.6840 0.4303 0.6985 0.7500 0.7307 0.7155 0.1187 0.5490 0.7226 0.7021 0.3203 0.3401 0.1205 0.7289 0.6064 0.1626 0.3556 0.1794 0.4337 0.5676 0.6865 0.6917 0.3934 0.7499 0.5669 0.5234 0.7439 0.7326 0.7254 0.1133 0.3492 0.3564 0.3788 0.4163 0.5645 0.7492 0.2697 0.3385 0.5251 0.2943 0.3744 0.3275 0.6333 0.7410 0.6986 0.6116 0.7228 0.6980 0.6157 0.4368 0.1522 0.7340 0.5824 0.4667 0.5811 0.3654 0.7465 0.7313 0.7419 0.6990 0.6737 0.7486 0.5714 0.6538 0.7177 0.4669 0.6392 0.7497 0.7437 0.5755 0.4913 0.6969 0.7045 0.3521 0.4048 0.1476 0.0968 0.0316 0.1274 0.0072 0.7382 0.6894 0.7499 0.3978 0.0779 0.7059 0.4203 0.2241 0.7324 0.6577 0.5395 0.6257 0.5656 0.1590 0.5832 0.7497 0.2749 0.1195 0.2918 0.0594 0.5853 0.2037 0.8571 0.8536 0.8551 0.8570 0.8561 0.8467 0.8434 0.8552 0.8571 0.8505 0.8494 0.8399 0.8535 0.7129 0.8568 0.4551 0.7135 0.7060 0.5358 0.6931 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0.7698 0.7225 0.2744 0.7368 0.8569 0.4313 0.2136 0.4518 0.1122 0.7384 0.3384 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 6 6 6 6 6 6 6 17 7 6 8 6 6 1 6 1 6 1 7 1 1 6 6 16 6 6 8 7 6 8 6 6 6 6 6 6 6 6 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 34.96885 14.00307 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 1.00783 1.00783 12.00000 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 15215.3578 24820.0368 33811.3038 0.99955 0.02994 -0.00182 -0.02995 0.99955 -0.00031 0.00181 0.00037 1.00000 1 0.00569 0.00349 0.00256 0.11861 0.07271 0.05338 7.96 29.35 32.54 33.68 40.12 41.58 50.84 57.82 84.79 93.77 106.41 132.14 151.29 168.73 191.96 199.98 233.39 250.63 275.97 277.95 285.70 309.45 317.15 341.79 378.56 397.28 403.63 445.75 452.83 488.08 535.22 550.82 574.25 617.14 635.70 641.98 655.13 699.66 710.36 727.09 798.14 827.64 834.87 857.26 870.60 896.27 936.26 940.36 976.79 979.49 985.09 1037.06 1093.55 1122.32 1128.30 1152.14 1166.02 1190.45 1200.69 1206.44 1213.53 1232.29 1233.16 1274.63 1281.28 1307.26 1337.02 1347.94 1380.14 1397.29 1426.40 1441.01 1467.30 1495.74 1515.28 1533.54 1550.81 1558.93 1568.89 1581.50 1586.52 1588.10 1602.30 1618.55 1626.84 1627.39 1632.79 1637.78 1641.47 1654.87 1692.80 1701.06 1704.03 1714.65 1742.04 1789.05 1797.41 1819.58 1873.62 1875.32 1891.82 1896.71 1921.68 1946.71 1964.68 1968.49 1977.16 1996.13 2027.53 2039.44 2046.89 2066.33 2082.44 2085.73 2110.58 2129.19 2141.94 2164.81 2174.40 2189.02 2192.07 2208.39 2223.61 2234.64 2254.26 2257.82 2261.46 2271.68 2324.36 2334.45 2336.85 2340.28 2346.01 2347.47 2354.40 2366.37 2367.15 2385.21 2405.56 2570.43 2589.40 2606.28 2623.86 2624.99 2866.36 2898.34 2971.52 4586.75 4618.62 4627.98 4635.16 4647.89 4676.68 4685.28 4714.63 4732.93 4736.14 4749.77 4755.65 4758.62 4769.12 4790.36 4816.77 4821.76 4823.56 4825.52 4849.58 4865.46 4870.74 4884.35 4890.89 5270.19 5368.65 5550.31 0.525068 0.554487 0.555431 0.457409 -2206.693593 -2206.664174 -2206.663230 -2206.761251 3.287640D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE Cc1cc2c(c(c1)Cl)NC(=O)[C@]23[C@H]4[C@@H]([C@@H]([NH2+]3)CCSC)C(=O)N(C4=O)CCc5ccccc5 C12886368 RHF 6-31G(d) (6D,10F) C1 484.146166 |X|Y|Z| 82.029070 107.229025 43.151922 72.403589 24 6 7 21 3 |36.858105| |12.602331|36.858105| |7.548648|13.657613|36.858105| |5.030706|7.943956|13.820084|36.858105| |4.444806|6.865908|7.928296|13.714318|36.858105| |4.998898|7.848271|6.823545|7.933702|13.882664|36.858105| |7.553368|13.722293|7.955841|6.940416|8.031780|13.715478|36.858105| |3.636958|4.735801|4.211950|4.765677|7.056943|11.004792|6.996978|448.794386| |3.359701|4.579422|5.305383|8.312381|13.619773|7.630217|5.128301|48.590873|53.358707| |3.095274|4.050079|5.065717|7.960786|8.372897|5.286369|4.126179|34.145310|19.281839|36.858105| |2.601783|3.237521|3.897172|5.375741|5.550445|4.037654|3.290037|28.387320|11.339152|16.000379|73.516695| |3.690825|4.927353|7.213016|12.597436|8.137651|5.212878|4.500372|30.518374|11.082552|12.233644|13.921445|36.858105| |3.229055|3.985064|5.459432|7.093574|5.322499|3.942139|3.589026|24.776625|7.452627|7.541323|11.406119|12.319247|36.858105| |2.979945|3.658507|4.687996|6.074069|5.157342|3.883225|3.442999|25.286340|7.654883|7.455933|11.791327|8.825309|17.610097|0.500000| |2.696639|3.169119|4.102043|4.912617|3.981264|3.120059|2.882893|20.656340|5.803863|5.890648|10.616094|7.676293|12.368529|0.240487|36.858105| |2.378801|2.767151|3.429690|4.098884|3.557571|2.841063|2.590378|19.501587|5.415562|5.441107|10.870977|5.972621|8.650671|0.221368|17.633168|0.500000| |2.703384|3.194799|4.114893|4.968709|4.070781|3.181346|2.923580|21.093920|5.987732|6.154537|11.283597|7.705055|7.638933|0.160574|12.320088|0.246097|36.858105| |2.475005|2.935634|3.642026|4.506997|3.980480|3.113669|2.784041|21.325334|6.264781|6.660639|14.114967|6.758977|6.330641|0.149086|8.902360|0.232818|17.695765|0.500000| |3.359345|4.190983|5.811204|7.555962|5.555773|4.100462|3.747452|25.461505|7.633255|7.710912|11.542279|12.577333|8.006501|0.161724|7.939914|0.163777|12.487011|0.254812|53.358707| |3.243215|4.048266|5.266977|6.758687|5.559368|4.185475|3.755003|26.539087|7.833148|7.426280|11.387253|9.043748|5.827515|0.130958|5.820184|0.133497|9.000781|0.231986|25.685865|0.500000| |3.700231|4.501030|6.451414|7.201403|5.025248|3.926662|3.802158|24.030205|6.347820|5.716448|8.641757|9.170163|6.885172|0.139813|6.727688|0.138559|9.068164|0.182289|25.654561|0.328936|0.500000| |2.476209|2.798243|3.469893|3.835679|3.211722|2.661138|2.532821|18.013852|4.535652|4.188020|7.635596|5.012226|5.026931|0.113032|7.203776|0.165441|12.482202|0.245413|10.314925|0.183586|0.204620|36.858105| |2.323635|2.607519|3.112679|3.412625|2.991490|2.538142|2.409767|17.571393|4.247914|3.761838|6.921595|4.164736|3.833026|0.090729|4.784823|0.119206|7.468700|0.195389|8.324816|0.178497|0.164286|12.433891|36.858105| |2.060387|2.223001|2.566608|2.679416|2.379513|2.099446|2.045711|14.789992|3.297857|2.783737|5.060727|3.070757|2.947578|0.071653|3.546355|0.090747|4.602723|0.119544|5.495255|0.114385|0.116235|6.978240|10.504837|388.023441| |1.887980|2.031445|2.275896|2.382135|2.193322|1.973286|1.912887|14.248382|3.061770|2.511424|4.590295|2.645992|2.463895|0.061492|2.825474|0.074157|3.573991|0.098919|4.543304|0.099725|0.093640|4.571427|6.850370|74.864104|36.858105| |2.619926|2.940092|3.730675|4.044494|3.265564|2.699598|2.604357|17.984680|4.497512|4.113014|7.196617|5.326458|7.870690|0.170355|12.483285|0.249184|7.343467|0.154439|7.680796|0.122262|0.156922|6.410584|4.236673|24.769793|2.688299|36.858105| |2.304281|2.522651|3.084418|3.270873|2.739304|2.325990|2.259068|15.874559|3.795926|3.381695|6.093526|4.092373|5.332000|0.125942|7.880206|0.195028|6.005447|0.134661|6.155303|0.104148|0.127210|6.258737|4.198840|26.158632|2.765516|16.073514|73.516695| |2.992634|3.325537|4.290456|4.410463|3.444585|2.884727|2.856706|18.788110|4.517019|3.942291|6.517648|5.354357|8.086993|0.175988|8.077797|0.171243|5.493201|0.121142|6.981949|0.112099|0.151056|4.793113|3.503813|21.170331|2.378433|13.865608|14.869170|53.358707| |3.521239|4.126231|5.649945|6.016602|4.422638|3.572379|3.501431|22.340951|5.618313|4.881205|7.547743|7.261827|12.435806|0.250617|7.848448|0.165128|5.472474|0.124113|7.925487|0.124822|0.166410|4.340029|3.338452|19.542894|2.274573|8.280055|9.869696|18.922077|36.858105| |4.075646|4.715527|6.294858|6.035014|4.501273|3.805110|3.882965|23.379561|5.384974|4.315668|6.527524|6.022701|7.854095|0.192667|5.320340|0.122375|4.204928|0.100051|6.434729|0.107730|0.138250|3.503638|2.854513|17.194865|2.052788|5.549277|7.510543|11.392984|16.064832|73.516695| |2.817623|2.964610|3.613770|3.494656|2.838141|2.490044|2.537331|16.545017|3.664355|3.046189|5.084100|3.874634|5.046838|0.122324|5.044161|0.119667|3.962811|0.091953|5.161626|0.088045|0.114406|3.789272|2.941651|18.960986|2.152889|7.624735|11.778624|17.642881|7.627779|11.767628|36.858105| |2.984334|3.017670|3.627387|3.326524|2.688247|2.408701|2.521509|15.937888|3.394002|2.764497|4.572270|3.523101|4.127138|0.098448|4.154102|0.097815|3.649711|0.084421|4.953209|0.086361|0.115754|3.723350|2.980032|19.957248|2.248621|5.693764|9.508050|10.412586|5.683590|9.502887|12.444529|36.858105| |2.628238|2.569195|2.930736|2.680810|2.254058|2.075232|2.189111|14.067829|2.858881|2.277738|3.811476|2.768237|3.154642|0.078870|3.167341|0.078272|2.843167|0.068336|3.844874|0.069413|0.087451|2.932493|2.461001|17.092744|1.978334|4.074625|7.216853|6.780571|4.067227|7.199377|7.579551|12.584905|36.858105| |2.225444|2.188913|2.465396|2.309568|1.982714|1.829325|1.906867|12.634397|2.560424|2.046957|3.489751|2.422419|2.739752|0.069350|2.859985|0.072439|2.609727|0.063608|3.427695|0.062781|0.076733|2.772664|2.356982|16.917204|1.954059|3.660800|6.914779|5.583459|3.332200|5.730317|5.692170|7.552972|13.708525|36.858105| |2.005714|1.947624|2.140885|2.005554|1.755944|1.643643|1.718107|11.514667|2.271183|1.791547|3.065142|2.074025|2.308712|0.059620|2.379570|0.061428|2.194105|0.054565|2.903153|0.054032|0.064176|2.312271|2.021110|14.643104|1.735886|2.915088|5.465654|4.373533|2.739495|4.816418|4.185572|5.014032|7.901927|13.751292|36.858105| |2.047609|1.954186|2.111626|1.953416|1.721471|1.631701|1.723117|11.454605|2.206218|1.716638|2.914086|1.979217|2.183037|0.056949|2.187544|0.056528|2.015448|0.050470|2.720818|0.050888|0.060033|2.081294|1.839686|13.157956|1.588507|2.609908|4.742739|4.004639|2.606010|4.728956|3.777805|4.428614|6.832463|7.935298|13.751555|36.858105| |2.347151|2.209300|2.380941|2.161499|1.888983|1.797990|1.921841|12.483680|2.387102|1.844771|3.091595|2.153246|2.374471|0.061835|2.314489|0.059131|2.115739|0.052698|2.913663|0.054194|0.064717|2.144864|1.886623|13.232243|1.600587|2.746020|4.833727|4.380948|2.913455|5.455486|4.201122|5.013500|7.900779|6.885886|7.950966|13.749367|36.858105| |2.722240|2.581654|2.853602|2.557011|2.180263|2.049417|2.197443|13.947200|2.729795|2.127290|3.528804|2.551129|2.851380|0.072900|2.749047|0.068754|2.480776|0.060706|3.444922|0.063033|0.077659|2.497020|2.151095|14.840530|1.766933|3.341853|5.751639|5.598696|3.660056|6.907309|5.731248|7.551199|13.705893|7.961087|6.887452|7.936616|13.754098|36.858105| |17.572490|8.835697|6.969865|4.675820|3.969310|4.210271|5.708158|25.355215|4.231045|2.959634|4.482282|3.599312|3.170276|0.079493|2.723978|0.066122|2.776335|0.069683|4.693745|0.092422|0.109202|2.608949|2.456939|15.697990|2.008759|2.694607|4.249690|4.175506|3.499697|7.010286|2.924020|3.220391|2.825471|2.383350|2.134456|2.169058|2.485299|2.904678|0.500000| |17.599293|8.842102|5.596768|4.194837|3.980956|4.727711|7.193305|29.442107|4.196088|2.790515|4.230232|3.181601|2.783518|0.072585|2.373254|0.059113|2.403205|0.062171|3.993718|0.080504|0.088013|2.220997|2.125402|13.540480|1.777809|2.292486|3.637141|3.488047|2.955075|5.937771|2.429079|2.560645|2.305729|1.991089|1.820108|1.864123|2.113841|2.395374|0.302117|0.500000| |17.554465|8.864105|6.441986|4.527097|3.998082|4.390932|6.131213|26.641574|4.236355|2.903586|4.387331|3.457504|3.177806|0.082657|2.635465|0.064955|2.563735|0.065074|4.208062|0.081297|0.093825|2.347246|2.168320|13.788445|1.763060|2.611610|4.083308|4.157070|3.601384|7.737846|2.946822|3.098306|2.772968|2.315665|2.098946|2.175059|2.539649|2.953482|0.301932|0.301953|0.500000| |7.039107|8.928970|17.732247|8.888991|5.629843|4.927800|5.661668|27.323978|5.846803|4.390776|6.311361|6.445426|5.489206|0.125641|4.286388|0.097170|4.239089|0.100317|7.865443|0.139062|0.195839|3.708388|3.236544|19.329240|2.349079|4.142499|6.058936|6.773261|6.380510|12.712445|4.254379|4.459834|3.468939|2.838238|2.419161|2.376771|2.709975|3.343009|0.206027|0.142001|0.177375|0.500000| |7.001581|8.918661|5.651124|4.988750|5.707092|8.981857|17.739812|53.753863|5.633330|3.395948|5.006023|3.592071|2.994576|0.080873|2.480786|0.062857|2.513848|0.067078|4.229824|0.087224|0.087799|2.226752|2.144770|13.217531|1.760223|2.278687|3.573710|3.383952|2.961290|5.832404|2.261311|2.264230|2.009872|1.765028|1.609901|1.626801|1.811582|2.041337|0.145716|0.218756|0.161999|0.124355|0.500000| |2.983507|3.903690|4.245779|5.867454|8.918196|6.703450|4.538934|52.767537|25.979479|9.237384|12.878400|5.766269|4.376926|0.128627|3.614898|0.097082|3.730442|0.111335|6.062032|0.129951|0.105491|2.932873|2.812527|15.831921|2.110029|2.872798|4.414977|3.893004|3.440789|5.924875|2.378628|2.209679|1.896023|1.716097|1.537644|1.497620|1.611754|1.820831|0.076529|0.078033|0.077272|0.098284|0.107123|0.500000| |2.649654|2.937565|3.677685|3.866373|3.141933|2.644108|2.585531|17.634226|4.257343|3.795101|6.610558|4.799085|4.894189|0.108121|6.475477|0.142536|8.822794|0.173569|9.529472|0.164091|0.222410|17.533393|8.802505|47.363037|4.263827|6.777147|11.829956|7.269777|4.631790|6.682011|4.322360|4.490648|3.411237|3.191986|2.598915|2.316783|2.394929|2.835091|0.079050|0.065273|0.069933|0.114057|0.063162|0.076074|0.500000| |2.211121|2.462918|2.985231|3.274999|2.815099|2.368259|2.253876|16.366507|4.026467|3.675597|6.931047|4.201371|4.517907|0.106020|6.777916|0.172121|8.987898|0.207610|7.569523|0.137257|0.148366|17.606372|8.856175|46.383610|4.282437|6.549846|12.975361|6.273511|3.987109|5.735660|3.744352|3.582879|2.886537|2.803336|2.342654|2.082465|2.114455|2.435013|0.064262|0.055492|0.059041|0.088357|0.055691|0.073710|0.305860|0.500000| |2.137142|2.412036|2.832955|3.176158|2.884398|2.447679|2.281660|17.338854|4.239028|3.777178|7.298137|3.906019|3.607156|0.088148|4.504021|0.118960|6.782030|0.208470|7.304847|0.161307|0.135054|8.831370|17.566649|56.272456|6.558887|3.836582|6.783986|4.304134|3.056670|4.673624|2.659181|2.627801|2.209861|2.129686|1.850576|1.693535|1.731892|1.954302|0.061843|0.054836|0.055615|0.079967|0.056725|0.079436|0.173190|0.214191|0.500000| |2.543990|2.883242|3.442467|3.764269|3.294376|2.797252|2.660692|19.136615|4.594664|3.982697|7.052347|4.443261|3.813428|0.089881|4.418644|0.107871|6.784369|0.177302|9.259850|0.221755|0.187189|8.730425|17.512524|56.539342|6.468503|3.856830|6.533204|4.570088|3.323651|5.154997|2.826786|2.907533|2.402043|2.264943|1.953051|1.800246|1.865573|2.131663|0.075162|0.064721|0.064781|0.098248|0.065415|0.083873|0.206419|0.172674|0.301764|0.500000| |1.757253|1.862979|2.062519|2.128422|1.966317|1.791935|1.753146|13.025835|2.723619|2.206341|4.014360|2.328617|2.201108|0.055385|2.498639|0.065960|3.037477|0.083322|3.884658|0.083750|0.080985|3.810620|5.104243|57.380616|17.616710|2.434745|4.506774|2.967688|2.070721|3.354447|2.014326|2.122596|1.900774|1.900669|1.704375|1.557027|1.556305|1.701644|0.052061|0.046184|0.045825|0.059426|0.045190|0.052414|0.102248|0.102200|0.135376|0.134401|0.500000| |1.786407|1.938408|2.165890|2.305513|2.155717|1.932929|1.849347|14.136227|3.068038|2.527886|4.721339|2.589861|2.418514|0.061108|2.790536|0.074843|3.521807|0.101373|4.377217|0.096663|0.087512|4.340079|6.403719|55.985564|17.608491|2.602190|4.756840|3.105120|2.194665|3.512587|2.050023|2.099191|1.851837|1.830011|1.633410|1.499137|1.510232|1.661681|0.052193|0.046878|0.046495|0.061357|0.047320|0.059309|0.107607|0.116271|0.196938|0.162081|0.300952|0.500000| |2.003773|2.159180|2.402629|2.502392|2.313976|2.095016|2.036896|15.095790|3.199215|2.587512|4.653938|2.726019|2.469290|0.061491|2.756548|0.071507|3.508769|0.096899|4.701926|0.106268|0.097701|4.299648|6.397252|55.911136|17.602311|2.591670|4.632777|3.182238|2.277508|3.689933|2.111033|2.219619|1.948612|1.901108|1.692249|1.563150|1.588357|1.757345|0.059454|0.052640|0.051411|0.068406|0.052094|0.061207|0.113432|0.107156|0.165460|0.193787|0.300976|0.298409|0.500000| |2.893281|3.015433|3.595967|3.432431|2.829452|2.519548|2.587825|16.777921|3.614007|2.933780|4.847172|3.662582|4.725022|0.120603|4.361669|0.106776|3.450105|0.082440|4.643806|0.080512|0.101308|3.210090|2.582394|16.627143|1.940398|5.792676|8.890856|12.567407|7.325587|13.151217|17.649982|8.800363|6.870671|5.049690|3.987478|3.814760|4.440963|6.080731|0.081855|0.069185|0.086299|0.115763|0.064405|0.065497|0.098780|0.087571|0.065840|0.069929|0.050598|0.051622|0.053237|0.500000| |2.431193|2.552601|3.039017|3.009471|2.520698|2.222848|2.238370|15.107833|3.332453|2.782699|4.775383|3.392146|4.381930|0.109958|4.714911|0.117985|3.710552|0.087881|4.605435|0.079980|0.099553|3.648981|2.839447|18.683283|2.113792|7.329583|13.203091|12.578583|5.802041|8.883626|17.651344|8.806926|6.882343|6.025468|4.421592|3.819961|4.011728|5.095371|0.069862|0.059340|0.070164|0.096216|0.056008|0.060948|0.113246|0.104703|0.072165|0.074222|0.055301|0.056247|0.056833|0.301429|0.500000| |2.798098|2.860600|3.453442|3.233270|2.621186|2.331127|2.414585|15.516666|3.354870|2.771292|4.644162|3.517012|4.029766|0.094523|4.338718|0.101358|3.982245|0.090594|5.240527|0.091529|0.124302|4.331867|3.398263|23.268431|2.529080|6.075281|10.870720|9.543055|5.108624|8.076178|8.879816|17.549224|8.891004|7.160924|4.731801|3.977663|4.210902|5.659611|0.084780|0.067438|0.078623|0.116523|0.060215|0.060753|0.153195|0.116152|0.081439|0.090611|0.066288|0.064850|0.068703|0.173656|0.212396|0.500000| |3.576825|3.560076|4.340589|3.771049|2.970610|2.678044|2.868890|17.329844|3.639176|2.917519|4.706163|3.816128|4.286189|0.100928|4.054739|0.093915|3.661665|0.084598|5.290518|0.092228|0.127576|3.643144|2.979327|19.606578|2.245783|5.106760|8.061636|9.525693|6.047759|10.864216|8.878874|17.539572|8.889855|5.673652|4.216416|3.977001|4.722457|7.130004|0.109321|0.083031|0.103641|0.157287|0.070989|0.065201|0.121960|0.093896|0.072612|0.083050|0.058586|0.058009|0.062583|0.212442|0.173696|0.301849|0.500000| |2.124514|2.122580|2.413774|2.300705|1.975780|1.805936|1.861754|12.508742|2.581765|2.089495|3.601213|2.465012|2.797252|0.070296|3.030208|0.077001|2.787037|0.067659|3.564093|0.065211|0.079518|3.046512|2.561917|18.699943|2.115381|3.962200|7.888510|5.719538|3.315618|5.510300|5.554853|7.003435|8.903174|17.693779|8.931346|5.648001|4.956878|5.650685|0.063197|0.052967|0.060555|0.076707|0.047696|0.048076|0.098157|0.087254|0.064028|0.067247|0.057255|0.054924|0.056503|0.129023|0.173451|0.215315|0.143935|0.500000| |1.813731|1.770547|1.937226|1.834939|1.622646|1.520265|1.578872|10.752768|2.117235|1.671473|2.885276|1.909369|2.113088|0.054872|2.208513|0.057705|2.056489|0.051614|2.691616|0.050492|0.059009|2.189900|1.935184|14.241988|1.696777|2.674014|5.110374|3.884083|2.444879|4.252781|3.563522|4.092119|5.633522|8.926184|17.721557|8.912919|5.649966|4.959845|0.053462|0.046125|0.052315|0.060084|0.041238|0.040041|0.067693|0.062328|0.049510|0.051619|0.046636|0.044441|0.045664|0.093546|0.107010|0.112330|0.097150|0.215945|0.500000| 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