Version2.4 2021-05-29T08:47:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1COc2ccc(cc2C[NH2+]CCCSc3nnnn3c4ccccc4)Br C40739404 RHF 6-31G(d) (6D,7F) Cc1ccccc1COc2ccc(cc2C[NH2+]CCCSc3nnnn3c4ccccc4)Br C01[X(C25H27Br1N5O1S1)] 174 C1 568 Brc1ccc(c(c1)C[NH2+]CCCSc1nnnn1c1ccccc1)OCc1ccccc1C Brc1ccc(c(c1)C[NH2+]CCCSc1nnnn1c1ccccc1)OCc1ccccc1C Cc1ccccc1COc2ccc(Br)cc2C[NH2+]CCCSc3nnnn3c4ccccc4 InChIKey=XWIXJJQFBVRUKL-UHFFFAOYSA-O InChI=1S/C25H26BrN5OS/c1-19-8-5-6-9-20(19)18-32-24-13-12-22(26)16-21(24)17-27-14-7-15-33-25-28-29-30-31(25)23-10-3-2-4-11-23/h2-6,8-13,16,27H,7,14-15,17-18H2,1H3/p+1 InChI=1/C25H26BrN5OS/c1-19-8-5-6-9-20(19)18-32-24-13-12-22(26)16-21(24)17-27-14-7-15-33-25-28-29-30-31(25)23-10-3-2-4-11-23/h2-6,8-13,16,27H,7,14-15,17-18H2,1H3/p+1/fC25H27BrN5OS/h27H/q+1 Cc1ccccc1COc2ccc(cc2C[NH2+]CCCSc3nnnn3c4ccccc4)Br C01[X(C25H27Br1N5O1S1)] 174 C01 568 Brc1ccc(c(c1)C[NH2+]CCCSc1nnnn1c1ccccc1)OCc1ccccc1C Br[C]1[CH][CH][C]([C]([CH]1)C[NH2]CCCS[C]1[N][N][N][N@@]1[C]1[CH][CH][CH][CH][CH]1)OC[C]1[CH][CH][CH][CH][C]1C C[C]1[CH][CH][CH][CH][C]1CO[C]2[CH][CH][C](Br)[CH][C]2C[NH2]CCCS[C]3[N][N][N]N3[C]4[CH][CH][CH][CH][CH]4 InChIKey=LXQNDKWUVSCYOF-UHFFFAOYSA-N InChI=1S/C25H27BrN5OS/c1-19-8-5-6-9-20(19)18-32-24-13-12-22(26)16-21(24)17-27-14-7-15-33-25-28-29-30-31(25)23-10-3-2-4-11-23/h2-6,8-13,16H,7,14-15,17-18,27H2,1H3 InChI=1/C25H27BrN5OS/c1-19-8-5-6-9-20(19)18-32-24-13-12-22(26)16-21(24)17-27-14-7-15-33-25-28-29-30-31(25)23-10-3-2-4-11-23/h2-6,8-13,16H,7,14-15,17-18,27H2,1H3 3706.0251809380 -4276.6762559 1-A 32399.5869 135 433 568 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.15982 -92.06995 -64.57118 -58.71077 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25.9691 5.0656 21.0770 1.2296 7.5521 30.4475 3.6440 9.3259 179.6828 30.3055 24.1813 7.9857 99.4768 11.7873 2.7381 5.1494 40.9170 15.3154 4.9957 29.3791 28.5649 10.3859 10.6565 31.5139 17.7687 1.1040 5.2761 11.2819 21.0913 14.5370 0.0894 3.3777 8.0312 11.0747 2.2371 0.6995 16.0831 4.4952 17.4110 0.7460 13.7272 11.5891 1.8833 4.0074 3.0125 157.3001 91.4674 1.8285 2.2206 2.9588 0.4295 1.9005 8.2208 8.1537 0.3599 3.0439 0.9511 0.5784 0.5565 0.7178 2.0740 3.2560 0.7040 0.4942 3.6158 0.3467 0.4976 4.3384 0.8179 1.9229 2.0494 3.6930 0.8108 1.3688 1.6836 0.5322 2.5840 3.6577 0.6708 1.2725 1.5897 0.1751 1.0346 0.5611 0.4865 1.0043 2.7097 0.8510 6.3285 1.0522 2.0962 4.1388 0.6483 3.1689 4.9084 1.9959 5.2736 4.1312 1.9530 0.6114 9.8917 5.4222 0.2987 0.2094 0.0468 32.1472 5.7578 0.1369 0.9842 5.6148 0.1817 1.0095 1.3156 2.6935 19.7155 3.4157 7.2030 1.4282 1.9121 1.4179 4.0363 2.7682 0.8265 33.9933 0.2036 0.1138 6.5862 10.0309 2.8098 11.4785 1.6689 0.3228 0.1434 15.3719 3.6773 25.6122 0.6680 0.4648 4.6907 9.1492 6.8742 4.3090 10.6250 3.0974 8.9508 1.0746 14.7687 4.1324 3.9178 0.3717 3.3418 4.2465 0.9180 10.9979 7.8116 1.8968 5.8069 21.0316 18.0810 1.5373 1.5293 21.0495 2.1183 1.2608 3.3394 4.7478 2.3579 12.4822 2.3003 10.9321 0.4453 26.5283 2.8319 35.6972 3.0996 10.0968 16.2211 1.2335 18.0408 7.5118 23.0694 3.1672 5.1624 0.5546 3.0881 8.5250 17.7613 17.1575 10.4921 8.2869 44.1555 54.5314 29.2591 8.2261 106.9375 75.6780 64.5467 73.1745 61.1930 0.5771 21.0844 121.8664 49.7900 30.3929 1.8100 16.8889 55.7808 35.5633 88.4854 34.3842 68.8317 103.7471 53.1688 51.0005 215.2718 80.4904 50.7116 222.4606 122.4071 36.2287 16.6918 0.7500 0.7500 0.7478 0.7494 0.6911 0.7484 0.7257 0.5849 0.7499 0.6287 0.7047 0.5271 0.7199 0.6865 0.7229 0.6071 0.4109 0.4540 0.1077 0.2686 0.3880 0.6130 0.6900 0.5099 0.6274 0.7008 0.7344 0.4898 0.3031 0.2749 0.7124 0.5403 0.6255 0.7206 0.7500 0.5662 0.4831 0.6585 0.6886 0.7146 0.5353 0.3039 0.7206 0.5604 0.2763 0.5958 0.4596 0.7470 0.7327 0.1471 0.2066 0.5332 0.6743 0.0759 0.6797 0.6014 0.3824 0.7458 0.2104 0.5274 0.6373 0.4052 0.1403 0.2902 0.3588 0.7497 0.5493 0.1199 0.4298 0.2843 0.7397 0.5437 0.7450 0.1279 0.3482 0.6986 0.0994 0.3325 0.6803 0.1071 0.1687 0.6911 0.7471 0.2225 0.2025 0.4215 0.1135 0.0564 0.1878 0.6086 0.2642 0.6246 0.0640 0.7500 0.7433 0.2518 0.3928 0.7255 0.5033 0.5231 0.4524 0.5474 0.5531 0.2591 0.2430 0.3857 0.1085 0.6043 0.1846 0.6432 0.2136 0.1598 0.6515 0.6376 0.7281 0.6799 0.3645 0.7016 0.3903 0.7469 0.7212 0.5937 0.5711 0.7451 0.5089 0.5165 0.1159 0.6388 0.1774 0.4041 0.1614 0.7374 0.6698 0.6400 0.7238 0.3526 0.7497 0.5833 0.7445 0.1264 0.3480 0.5889 0.7477 0.7100 0.5016 0.7110 0.4698 0.0253 0.0855 0.6492 0.6866 0.0426 0.3891 0.1308 0.0409 0.7122 0.7193 0.7420 0.7470 0.7498 0.4531 0.5325 0.7459 0.7018 0.7408 0.7447 0.2918 0.1256 0.1498 0.6990 0.1131 0.1532 0.1295 0.5931 0.8571 0.8571 0.8557 0.8567 0.8174 0.8561 0.8410 0.7381 0.8571 0.7720 0.8268 0.6903 0.8371 0.8141 0.8392 0.7556 0.5824 0.6245 0.1944 0.4235 0.5591 0.7601 0.8166 0.6754 0.7711 0.8241 0.8469 0.6575 0.4652 0.4313 0.8321 0.7016 0.7696 0.8376 0.8571 0.7230 0.6515 0.7941 0.8156 0.8336 0.6974 0.4662 0.8376 0.7183 0.4330 0.7467 0.6297 0.8552 0.8457 0.2565 0.3425 0.6956 0.8055 0.1411 0.8093 0.7511 0.5533 0.8544 0.3476 0.6906 0.7784 0.5767 0.2461 0.4499 0.5281 0.8569 0.7091 0.2141 0.6012 0.4427 0.8504 0.7044 0.8538 0.2267 0.5166 0.8226 0.1809 0.4991 0.8097 0.1935 0.2887 0.8173 0.8553 0.3640 0.3369 0.5930 0.2038 0.1067 0.3162 0.7567 0.4180 0.7689 0.1203 0.8571 0.8528 0.4023 0.5640 0.8409 0.6696 0.6868 0.6230 0.7075 0.7122 0.4116 0.3909 0.5567 0.1957 0.7533 0.3117 0.7829 0.3520 0.2756 0.7890 0.7787 0.8426 0.8095 0.5343 0.8246 0.5614 0.8551 0.8380 0.7450 0.7270 0.8539 0.6745 0.6811 0.2076 0.7796 0.3013 0.5756 0.2779 0.8489 0.8023 0.7805 0.8398 0.5214 0.8569 0.7368 0.8535 0.2244 0.5163 0.7412 0.8557 0.8304 0.6681 0.8311 0.6392 0.0494 0.1575 0.7873 0.8142 0.0818 0.5603 0.2314 0.0785 0.8319 0.8368 0.8519 0.8552 0.8570 0.6237 0.6950 0.8545 0.8248 0.8511 0.8537 0.4518 0.2232 0.2605 0.8228 0.2032 0.2656 0.2293 0.7446 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 6 8 6 6 6 6 6 6 6 7 1 1 6 6 6 16 6 7 7 7 7 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 14.00307 14.00307 14.00307 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 11290.1362 54944.7769 60409.1373 0.99981 -0.01796 0.00778 0.01784 0.99973 0.01462 -0.00804 -0.01448 0.99986 1 0.00767 0.00158 0.00143 0.15985 0.03285 0.02988 9.48 12.49 25.04 26.96 35.24 43.32 49.31 64.13 86.85 95.83 105.57 113.35 152.51 168.17 176.82 196.66 207.48 217.74 230.36 252.02 259.61 284.69 327.99 365.85 375.88 379.40 408.28 485.04 507.58 515.90 533.37 552.18 581.40 614.02 635.95 655.88 659.19 714.63 720.84 750.55 766.13 821.25 832.91 854.03 890.60 892.65 935.11 969.70 987.90 1024.55 1096.03 1103.69 1135.88 1149.60 1162.61 1163.39 1175.40 1179.99 1217.08 1230.77 1241.00 1251.12 1270.14 1346.03 1351.51 1362.36 1370.02 1382.66 1435.44 1482.51 1511.85 1514.36 1543.46 1549.21 1558.06 1560.76 1572.10 1576.09 1592.07 1603.56 1603.86 1606.73 1612.63 1628.59 1633.89 1637.36 1656.48 1660.50 1675.75 1679.86 1700.92 1708.30 1717.64 1739.97 1760.51 1775.09 1776.83 1779.35 1812.24 1833.92 1844.53 1864.96 1871.05 1907.17 1915.41 1930.19 1937.38 1992.13 1997.77 2001.71 2011.25 2033.95 2056.82 2087.56 2098.98 2106.27 2120.80 2142.62 2194.06 2216.24 2238.81 2250.47 2260.01 2274.58 2284.73 2302.98 2315.81 2325.23 2339.79 2340.96 2350.41 2354.61 2363.95 2366.82 2380.97 2395.39 2403.75 2407.46 2422.81 2428.09 2553.41 2559.74 2581.10 2599.09 2599.64 2605.68 2643.16 4611.67 4619.67 4681.64 4683.09 4695.08 4705.21 4713.08 4720.02 4740.05 4775.93 4791.78 4801.46 4808.20 4832.41 4843.17 4853.41 4866.26 4866.77 4879.13 4879.48 4887.96 4890.95 4900.35 4901.32 4921.91 5211.24 5344.55 0.525639 0.555013 0.555957 0.455920 -4276.150616 -4276.121243 -4276.120299 -4276.220336 3.355257D-04 MUNgauss RevisionA2.1 retrievium 29-May-2021 DUDE Cc1ccccc1COc2ccc(cc2C[NH2+]CCCSc3nnnn3c4ccccc4)Br C40739404 RHF 6-31G(d) (6D,10F) C1 524.111969 |X|Y|Z| 67.341411 41.991693 161.562226 77.018515 31 6 7 8 16 24 5 1 1 |36.858105| |12.571740|36.858105| |7.585284|13.709040|36.858105| |5.013602|7.868038|13.737408|36.858105| |4.412292|6.796464|7.941038|13.775687|36.858105| |4.988283|7.888853|6.920048|7.979357|13.755662|36.858105| |7.465236|13.600634|7.952021|6.860190|7.888645|13.720380|36.858105| |6.377647|7.521331|5.025632|4.449460|5.041618|7.645175|12.652640|36.858105| |5.504859|6.002333|4.364057|3.912896|4.334772|5.962511|8.070954|13.299679|73.516695| |4.287889|4.295165|3.354721|3.062130|3.339352|4.275446|5.206893|7.820212|25.037035|36.858105| |3.847103|3.699030|2.934847|2.680853|2.897470|3.631109|4.354671|6.528294|13.952939|13.790933|36.858105| |3.079967|2.934939|2.433219|2.252771|2.408673|2.895013|3.314138|4.427164|9.234726|7.959106|13.716179|36.858105| |2.774805|2.672008|2.268684|2.120811|2.258143|2.657448|2.969372|3.742443|8.223289|6.876643|7.925426|13.808315|36.858105| |2.925841|2.871892|2.446374|2.295174|2.449730|2.881426|3.201030|3.942716|9.425212|7.922788|6.860109|7.956889|13.753386|36.858105| |3.551698|3.570090|2.955190|2.751669|2.968859|3.602753|4.102116|5.205024|14.626145|13.618375|7.904236|6.878137|7.939570|13.772881|36.858105| |3.458011|3.630098|3.119127|2.961968|3.193337|3.760273|4.099027|4.636151|12.512502|7.592460|5.038033|4.457850|5.033631|7.580093|12.651999|36.858105| |4.167182|4.309627|3.699764|3.379721|3.475933|3.978243|4.529265|4.736642|12.351028|6.272040|4.378462|3.766797|4.007827|5.305334|7.657261|12.648057|53.358707| |5.240396|5.548442|4.475493|3.953537|4.064304|4.836217|5.895270|6.104025|17.008118|7.172036|4.822721|3.896219|3.912726|4.891655|7.284524|9.363791|25.588723|0.500000| |4.091437|3.950286|3.395748|3.033653|3.042010|3.427217|3.976423|4.238824|10.502181|5.799248|4.291856|3.815492|4.126450|5.405872|7.126078|9.212680|25.690531|0.326763|0.500000| |3.621803|3.898274|3.640306|3.455078|3.485986|3.721765|3.953356|3.784402|8.628272|4.293078|3.290613|2.922677|3.101606|3.897260|4.945799|7.517458|17.328098|0.255215|0.255497|36.858105| |3.932637|4.126747|4.049494|3.700810|3.474775|3.531075|3.825593|3.476875|7.344849|3.582660|2.887662|2.564144|2.649713|3.155544|3.831876|4.926153|10.420395|0.197186|0.197191|12.487237|36.858105| |3.144332|3.367640|3.520058|3.405164|3.174845|3.067901|3.147934|2.822861|5.685641|2.836198|2.370723|2.148637|2.225416|2.596848|3.023828|3.784835|6.765263|0.129255|0.129098|7.620221|12.457698|36.858105| |3.024915|3.131433|3.411846|3.224608|2.855108|2.687874|2.790449|2.477049|4.769830|2.395968|2.074486|1.890860|1.928126|2.177894|2.474071|2.892452|4.965212|0.099768|0.099894|4.627665|6.963682|10.467895|388.023441| |2.411509|2.539562|2.784060|2.767995|2.515105|2.333309|2.340873|2.097593|3.993666|2.039711|1.791569|1.655303|1.696607|1.902846|2.119924|2.466985|3.983691|0.079106|0.079106|3.671697|4.665298|7.075599|77.304153|36.858105| |2.233502|2.390709|2.594504|2.649523|2.480072|2.303714|2.265547|2.044010|3.916370|2.011685|1.761528|1.634749|1.687212|1.903327|2.114147|2.494684|3.925680|0.076893|0.076606|3.690123|4.345271|6.666380|49.841166|14.739040|53.358707| |1.951939|2.075427|2.253211|2.316374|2.178230|2.018894|1.975347|1.795773|3.397215|1.763512|1.567865|1.466880|1.511343|1.684443|1.844099|2.131558|3.266551|0.064372|0.064288|2.937487|3.331951|4.543091|35.534496|9.078004|19.336027|53.358707| |1.916371|2.011324|2.196729|2.229947|2.063312|1.909254|1.886982|1.714163|3.212291|1.669108|1.496785|1.401384|1.436014|1.586193|1.729678|1.966974|3.029329|0.060286|0.060383|2.656404|3.077912|4.028007|35.181486|8.881047|12.130461|20.802229|53.358707| |2.153921|2.241008|2.464162|2.451591|2.221588|2.055744|2.061504|1.858964|3.486888|1.797828|1.605328|1.493595|1.524883|1.686978|1.854044|2.108310|3.328534|0.066643|0.066839|2.929864|3.573055|4.758679|49.260409|14.277534|12.138344|12.438176|19.370781|53.358707| |2.110743|2.152106|2.368394|2.313360|2.069913|1.921929|1.951598|1.765690|3.275343|1.695061|1.531294|1.427459|1.448275|1.584408|1.730526|1.928577|3.039860|0.061519|0.061917|2.582756|3.151694|3.866806|40.877920|7.566306|7.325505|7.533189|10.723645|18.158908|36.858105| |1.893103|1.902064|2.052667|1.994435|1.810696|1.705430|1.740278|1.601175|2.977693|1.563280|1.424868|1.342034|1.367553|1.488437|1.604288|1.771234|2.755233|0.055318|0.056778|2.301492|2.735463|3.240552|31.379189|5.386101|5.850348|6.263071|8.544315|10.702557|13.758557|36.858105| |1.813773|1.799173|1.936471|1.865487|1.687978|1.595011|1.637668|1.513050|2.788765|1.469550|1.352987|1.277271|1.294793|1.395721|1.496369|1.627420|2.516524|0.050916|0.052188|2.052645|2.415240|2.739096|25.711775|3.998567|4.505421|4.723041|5.970169|7.032418|7.985001|13.770562|36.858105| |1.909506|1.886834|2.054063|1.965464|1.753267|1.645996|1.695784|1.554224|2.832091|1.482189|1.369335|1.285151|1.291593|1.384856|1.491783|1.609877|2.497795|0.051195|0.051705|2.014039|2.384332|2.647226|25.079885|3.688545|4.130064|4.217600|5.171427|6.201347|6.918882|7.932745|13.734639|36.858105| |2.132660|2.129484|2.369450|2.267788|1.985176|1.838006|1.889279|1.703289|3.084766|1.593294|1.463122|1.359757|1.359234|1.461547|1.592057|1.725871|2.704779|0.056001|0.055510|2.195407|2.645761|2.958510|29.199316|4.208697|4.565667|4.551584|5.559260|7.017301|7.979003|6.855715|7.928611|13.755314|36.858105| |2.264359|2.306411|2.593680|2.513871|2.195136|2.013694|2.052122|1.831793|3.345430|1.714051|1.554597|1.437967|1.443295|1.568079|1.722982|1.899293|3.006002|0.061991|0.061078|2.506755|3.082361|3.620314|38.423194|5.936841|5.986642|5.884600|7.465961|10.665260|13.769301|7.893314|6.860957|7.936705|13.749507|36.858105| |2.206023|2.118703|1.855894|1.753083|1.847734|2.107765|2.295318|2.740380|5.639296|4.089628|4.591498|6.695234|10.090660|6.703993|4.602015|3.563574|4.075748|0.079934|0.086710|2.484772|2.179511|1.893528|11.890927|1.500069|2.037288|1.850393|1.764831|1.858603|1.303596|1.245947|1.185684|1.177156|1.225695|1.291820|2539.412838| |17.544554|8.816061|6.019128|4.348160|3.961476|4.521513|6.485987|6.110633|8.727760|4.029687|3.853906|3.091142|2.712136|2.769868|3.271817|3.074109|4.784175|0.118330|0.096687|3.052590|3.224410|2.667163|18.407692|2.125705|2.700066|2.395539|2.360344|2.625170|1.904310|1.727044|1.670518|1.762673|1.951540|2.042905|74.112827|0.500000| |17.544174|8.759109|5.771899|4.229562|3.920317|4.566034|6.711291|6.706917|11.655826|5.165151|4.497234|3.545025|3.200992|3.414905|4.230676|4.025458|6.802738|0.179536|0.140793|4.058733|4.312190|3.291117|21.861074|2.426227|3.071280|2.667354|2.603857|2.924277|2.092046|1.891781|1.804130|1.876796|2.071258|2.205969|84.356390|0.302732|0.500000| |17.598800|8.855336|7.328686|4.781415|3.973110|4.173622|5.548222|4.711862|7.694740|3.549507|3.215799|2.683545|2.473458|2.614822|3.094341|3.090213|5.147913|0.126307|0.105337|3.448894|3.960113|3.230545|23.253337|2.556801|3.156199|2.760832|2.745207|3.130722|2.290052|2.043984|1.971616|2.101369|2.370081|2.498180|68.762858|0.303026|0.302220|0.500000| |7.078176|8.930407|17.712833|8.941616|5.655829|4.976148|5.649411|4.086874|6.550724|2.962888|2.639474|2.235546|2.099799|2.251634|2.663442|2.804592|4.570018|0.109429|0.088193|3.361019|3.915521|3.482183|25.609963|2.894415|3.578216|3.124422|3.100590|3.534758|2.549575|2.195251|2.089460|2.252640|2.638672|2.863507|59.425070|0.158480|0.149348|0.227141|0.500000| |4.100455|5.621806|8.923371|17.723405|8.917401|5.660115|4.945898|3.556588|5.734349|2.624968|2.331143|2.001897|1.903466|2.053716|2.413107|2.611229|4.029786|0.093070|0.074854|3.115991|3.403836|3.295173|23.057036|2.864028|3.721232|3.291960|3.192275|3.500600|2.432955|2.074989|1.940682|2.060003|2.407871|2.683336|54.530049|0.101192|0.098083|0.114080|0.216316|0.500000| |3.533175|4.913185|5.642165|8.903760|17.730107|8.910860|5.625573|4.115166|6.515186|2.952206|2.598089|2.206910|2.089452|2.261255|2.687933|2.908824|4.190257|0.096477|0.075158|3.156817|3.103421|2.945172|18.838294|2.416714|3.302854|2.938015|2.765332|2.928735|1.991491|1.745842|1.623900|1.679772|1.895022|2.098919|59.123707|0.090301|0.089413|0.090476|0.124248|0.214231|0.500000| |4.067972|5.624422|4.975015|5.666344|8.936396|17.699775|8.927209|7.134326|10.267475|4.354372|3.741258|2.997765|2.748173|2.966185|3.680065|3.788223|5.114577|0.122514|0.089646|3.482382|3.174127|2.797040|17.220408|2.148227|2.930744|2.590958|2.435707|2.588891|1.771896|1.586833|1.483879|1.520842|1.681514|1.836493|74.078631|0.106116|0.107856|0.095896|0.107894|0.124364|0.215480|0.500000| |7.197330|7.004904|4.669254|3.953524|4.203852|5.690827|8.832159|17.639527|16.464701|7.017841|6.811254|4.593349|3.730764|3.761455|4.710175|4.034193|5.715299|0.145641|0.110255|3.364114|3.196498|2.605599|16.733412|1.985209|2.605761|2.305604|2.222564|2.419841|1.710411|1.561409|1.488692|1.536380|1.677504|1.783258|93.941104|0.214390|0.213693|0.142113|0.110472|0.090068|0.097101|0.145768|0.500000| |4.771434|5.604230|4.205576|3.989839|4.762915|7.253943|8.855116|17.611765|16.520854|6.991711|6.427041|4.453083|3.705152|3.803849|4.821910|4.235744|5.497652|0.135238|0.100417|3.335082|3.012231|2.529820|15.795158|1.927686|2.587021|2.295832|2.184976|2.342322|1.631301|1.486453|1.405977|1.440323|1.570945|1.685568|93.365592|0.132798|0.135474|0.104727|0.096617|0.090769|0.113281|0.222101|0.301002|0.500000| |4.067423|3.878633|3.034905|2.754348|2.975835|3.763404|4.597637|7.181396|12.433367|8.888083|17.769868|8.948978|5.657696|4.949616|5.619270|4.097086|5.129975|0.118138|0.102251|2.954356|2.676842|2.226918|14.134591|1.720530|2.291772|2.050654|1.968526|2.113020|1.490515|1.385033|1.322342|1.347416|1.443975|1.526194|130.334176|0.118642|0.127814|0.092825|0.075593|0.066230|0.073699|0.107270|0.232869|0.204114|0.500000| |2.806472|2.653175|2.228474|2.069117|2.200514|2.608006|2.953310|3.839286|7.442758|5.663866|8.932124|17.754892|8.946882|5.658389|4.957603|3.563410|4.250152|0.089897|0.088248|2.516036|2.258508|1.926059|12.264172|1.522195|2.042932|1.848345|1.774408|1.886294|1.332730|1.258566|1.204775|1.214920|1.281364|1.346000|219.548635|0.080044|0.087763|0.068668|0.057373|0.051491|0.056402|0.075024|0.113717|0.109262|0.216808|0.500000| |2.602585|2.568251|2.243760|2.126095|2.254808|2.588131|2.810854|3.302866|7.608640|5.632300|4.946800|5.663294|8.942377|17.735279|8.914453|6.996679|6.742715|0.120676|0.142233|3.854413|3.089958|2.592846|15.351822|1.908233|2.618357|2.322159|2.177337|2.302536|1.581515|1.494258|1.396034|1.374450|1.441922|1.549886|220.795230|0.068085|0.083174|0.065972|0.057931|0.053511|0.058488|0.073846|0.087307|0.088765|0.107494|0.124544|0.500000| |2.947699|3.047153|2.704090|2.594407|2.761912|3.137844|3.338449|3.674772|8.973515|5.580389|4.177416|3.979693|4.759389|7.268106|8.850748|17.642395|12.357812|0.181933|0.220353|6.929204|4.583468|3.691678|19.965728|2.443529|3.403585|2.920918|2.680040|2.847914|1.904516|1.765986|1.616381|1.582852|1.681002|1.850060|122.994723|0.073687|0.093826|0.075126|0.068925|0.064937|0.071311|0.088132|0.091765|0.095480|0.095967|0.090595|0.222314|0.500000| |3.353825|3.712918|3.238080|3.184456|3.566168|4.253512|4.383831|4.814227|12.444235|6.763191|4.639402|4.016350|4.335004|5.916120|8.848239|17.625935|12.488323|0.225655|0.181546|7.064666|4.657242|3.747370|20.176437|2.468288|3.449089|2.949521|2.698107|2.866143|1.910200|1.741620|1.595214|1.581098|1.704624|1.886237|108.250834|0.083112|0.104422|0.082870|0.079273|0.077556|0.091298|0.122896|0.110999|0.126573|0.108863|0.091384|0.152554|0.300831|0.500000| |3.046452|3.199427|3.020187|2.904072|2.943224|3.115391|3.258773|3.207621|7.177338|3.813774|3.016745|2.779836|3.040702|3.863392|4.606050|6.941123|12.413989|0.180326|0.220322|17.618439|8.765635|6.881447|30.462749|3.582157|5.029395|4.038034|3.612735|3.918574|2.519513|2.284917|2.026769|1.958366|2.101198|2.391291|85.296218|0.073302|0.094369|0.081485|0.078857|0.074337|0.075874|0.082988|0.080740|0.080667|0.074668|0.066849|0.111441|0.210255|0.174977|0.500000| |3.489709|3.979157|3.793297|3.780869|3.960029|4.192077|4.205167|3.902158|8.684209|4.175477|3.205402|2.816756|2.948175|3.650722|4.660110|7.025406|12.457824|0.221401|0.180861|17.625355|8.786010|6.898246|30.408952|3.580234|5.060695|4.043371|3.600987|3.899168|2.496839|2.206031|1.965030|1.935493|2.123950|2.437632|80.528852|0.082470|0.104944|0.091137|0.094650|0.094307|0.100949|0.110215|0.093300|0.097550|0.080877|0.067693|0.099398|0.174091|0.218262|0.301169|0.500000| |4.864018|5.265040|5.239255|4.566986|4.111829|4.135870|4.606514|3.955155|8.088753|3.734001|3.010606|2.604675|2.617569|3.051862|3.773125|4.615747|9.544811|0.212711|0.176187|8.864479|17.540667|8.834037|46.421875|4.333328|5.370943|4.224800|3.979280|4.651876|3.091163|2.647112|2.374854|2.400051|2.716273|3.145695|72.438724|0.105902|0.144734|0.137177|0.139789|0.113689|0.098392|0.099099|0.100554|0.092641|0.079013|0.063946|0.080839|0.113603|0.124498|0.172966|0.211664|0.500000| |3.840307|3.765612|3.617608|3.220522|3.004981|3.092230|3.435474|3.235809|6.825210|3.465169|2.850356|2.573103|2.678786|3.168642|3.739094|4.583849|9.507978|0.175375|0.211603|8.852796|17.532204|8.832822|46.819360|4.346281|5.341317|4.223472|4.000366|4.693421|3.140284|2.791110|2.489904|2.447806|2.673739|3.053810|75.775867|0.088345|0.120245|0.109662|0.099953|0.082864|0.074789|0.077905|0.085284|0.077792|0.073149|0.063184|0.086807|0.121843|0.114410|0.210906|0.173046|0.301599|0.500000| |2.737152|2.879596|2.950781|2.877760|2.748749|2.695459|2.753248|2.545855|5.173029|2.665667|2.247930|2.076807|2.187553|2.566885|2.917556|3.672028|6.264376|0.114407|0.122532|6.943198|8.785108|17.627706|56.589910|6.745196|9.507286|6.500902|5.590883|6.340560|3.723912|3.237681|2.705165|2.546411|2.765325|3.339197|64.356781|0.065847|0.080417|0.077499|0.080940|0.077639|0.072020|0.069843|0.065665|0.064313|0.058178|0.051800|0.072735|0.104022|0.099779|0.205815|0.170712|0.172957|0.210212|0.500000| |3.049230|3.409978|3.660236|3.720022|3.513039|3.299257|3.253633|2.851849|5.653232|2.777812|2.321476|2.090951|2.150730|2.498635|2.926842|3.674089|6.256476|0.122866|0.114214|6.900763|8.792408|17.635549|56.541402|6.738298|9.678493|6.508249|5.547530|6.269794|3.661776|3.031647|2.569923|2.503636|2.826267|3.479709|62.195961|0.072337|0.086776|0.085837|0.098468|0.101263|0.092108|0.083681|0.071902|0.071867|0.060953|0.052170|0.068961|0.098343|0.105709|0.168929|0.204906|0.211753|0.173030|0.302748|0.500000| |1.787759|1.799345|1.920663|1.875967|1.726588|1.637520|1.666045|1.546115|2.896824|1.532335|1.395959|1.322687|1.357077|1.481317|1.587032|1.759557|2.714627|0.053919|0.055998|2.279360|2.662290|3.180132|29.174239|5.193567|5.985848|6.646100|8.948987|9.860236|8.930210|17.742945|8.882664|5.634571|4.945145|5.635250|42.313119|0.045401|0.050025|0.053054|0.056334|0.053848|0.046438|0.042636|0.041774|0.040030|0.037518|0.034435|0.041598|0.049211|0.048007|0.063903|0.060611|0.070223|0.075596|0.091211|0.082495|0.500000| |1.671783|1.649915|1.757085|1.693144|1.546720|1.472282|1.512907|1.411086|2.604054|1.383694|1.281025|1.217256|1.237093|1.328690|1.413012|1.528320|2.340861|0.047170|0.048755|1.892424|2.189304|2.447929|22.014174|3.386227|3.962244|4.183424|5.123065|5.698280|5.669389|8.942379|17.733784|8.906345|5.642247|4.947052|38.862952|0.043068|0.046406|0.050179|0.052305|0.048652|0.041427|0.038273|0.038675|0.036564|0.034753|0.031992|0.037040|0.042384|0.041503|0.052345|0.050243|0.059438|0.063089|0.068102|0.063802|0.214328|0.500000| |1.810263|1.774178|1.919665|1.830703|1.638231|1.545004|1.596294|1.471502|2.667059|1.402358|1.305753|1.229284|1.232002|1.311996|1.405972|1.502519|2.313857|0.047557|0.048053|1.839118|2.148332|2.333331|21.311879|3.061129|3.527724|3.594639|4.275707|4.933487|4.976651|5.647041|8.917017|17.728464|8.923388|5.647546|38.401707|0.046865|0.049337|0.055348|0.058514|0.053156|0.043610|0.039755|0.040645|0.037978|0.035813|0.032429|0.036121|0.041012|0.040928|0.049695|0.049110|0.060340|0.061520|0.062482|0.061490|0.123955|0.214907|0.500000| |2.188993|2.179260|2.448483|2.331545|2.018360|1.859735|1.915724|1.717827|3.073946|1.581499|1.459951|1.351835|1.341438|1.433730|1.564311|1.680668|2.626782|0.054968|0.053815|2.101912|2.515488|2.740459|26.157762|3.617865|4.036015|3.977445|4.677833|5.685232|5.666598|4.944162|5.640915|8.911271|17.731598|8.932243|41.085992|0.055983|0.058312|0.068179|0.076894|0.069262|0.053381|0.047055|0.047228|0.043996|0.040290|0.035496|0.039064|0.045152|0.046204|0.055371|0.056755|0.073106|0.070332|0.070329|0.073446|0.107411|0.124064|0.214956|0.500000| |2.459142|2.552860|2.948417|2.885313|2.470412|2.225136|2.251254|1.973464|3.578240|1.809269|1.632306|1.496488|1.494206|1.626293|1.805101|1.997416|3.178408|0.066294|0.063794|2.664494|3.304156|3.894290|41.348819|6.141206|6.238680|5.907982|7.075143|9.786692|8.918413|5.630629|4.947194|5.639738|8.888321|17.729990|45.111622|0.061159|0.065714|0.075563|0.091297|0.087160|0.065517|0.055833|0.053050|0.050309|0.044651|0.038817|0.044397|0.053523|0.055568|0.069380|0.072935|0.096108|0.088557|0.096322|0.106905|0.124187|0.107450|0.124042|0.214576|0.500000| 4274.680240 -17533.986827 5569.743005 -295.352671 -7984.916254 3706.025448 -4278.890806 2.000985 408B000000000040 450436AA48816BB4 4483183E9D4A1480 4278CBE2545FFFFC 3804B06D38D5E981 450B8DA9AE1940A1