Version2.4 2021-06-07T01:03:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)Nc4ccc(cc4)C(=O)[O-])c5cccs5 C28160242 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)Nc4ccc(cc4)C(=O)[O-])c5cccs5 C01[X(C26H21N4O4S2)] 165 C1 590 O=C(C[C@H]1SC(=NC1=O)N1N=C(C[C@@H]1c1ccc(cc1)C)c1cccs1)Nc1ccc(cc1)C(=O)[O-] O=C(C[C@H]1SC(=NC1=O)N1N=C(C[C@@H]1c1ccc(cc1)C)c1cccs1)Nc1ccc(cc1)C(=O)[O-] Cc1ccc(cc1)[C@H]2CC(=NN2C3=NC(=O)[C@@H](CC(=O)Nc4ccc(cc4)C([O-])=O)S3)c5sccc5 InChIKey=GKRZBYSBAGCRRQ-IFMALSPDSA-M InChI=1S/C26H22N4O4S2/c1-15-4-6-16(7-5-15)20-13-19(21-3-2-12-35-21)29-30(20)26-28-24(32)22(36-26)14-23(31)27-18-10-8-17(9-11-18)25(33)34/h2-12,20,22H,13-14H2,1H3,(H,27,31)(H,33,34)/p-1/t20-,22-/m1/s1 InChI=1/C26H22N4O4S2/c1-15-4-6-16(7-5-15)20-13-19(21-3-2-12-35-21)29-30(20)26-28-24(32)22(36-26)14-23(31)27-18-10-8-17(9-11-18)25(33)34/h2-12,20,22H,13-14H2,1H3,(H,27,31)(H,33,34)/p-1/t20-,22-/m1/s1/fC26H21N4O4S2/h27H/q-1 Cc1ccc(cc1)[C@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)Nc4ccc(cc4)C(=O)[O-])c5cccs5 C01[X(C26H21N4O4S2)] 165 C01 590 O=C(C[C@H]1SC(=NC1=O)N1N=C(C[C@@H]1c1ccc(cc1)C)c1cccs1)Nc1ccc(cc1)C(=O)[O-] O=C(N[C]1[CH][CH][C]([CH][CH]1)[C](=O)=O)C[C@H]1S[C]([N][C]1=O)N1N=C(C[C@@H]1[C]1[CH][CH][C]([CH][CH]1)C)C1=[CH][CH]=[CH]S1 C[C]1[CH][CH][C]([CH][CH]1)[C@H]2CC(=NN2[C]3[N]C(=O)[C@@H](CC(=O)N[C]4[CH][CH][C]([CH][CH]4)[C](=O)=O)S3)c5sccc5 InChIKey=LHAZKPNSETZSEE-IFMALSPDSA-N InChI=1S/C26H21N4O4S2/c1-15-4-6-16(7-5-15)20-13-19(21-3-2-12-35-21)29-30(20)26-28-24(32)22(36-26)14-23(31)27-18-10-8-17(9-11-18)25(33)34/h2-12,20,22H,13-14H2,1H3,(H,27,31)/t20-,22-/m1/s1 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1522.1597 1523.4581 1533.8468 1560.4339 1566.5770 1584.0259 1589.4564 1612.8438 1628.3147 1632.7047 1633.9997 1641.6671 1672.0204 1695.6046 1701.8169 1722.2826 1758.8287 1777.4302 1794.3686 1805.2310 1827.1520 1894.0843 1917.5185 1935.7855 2000.4103 3201.9367 3219.9169 3233.4634 3254.2026 3269.0863 3277.7985 3286.5010 3297.5589 3304.6852 3306.2457 3348.2191 3353.1622 3370.5602 3373.9524 3403.4764 3403.9207 3408.7957 3424.0350 3441.4277 3445.0461 3868.5314 7.3316 5.4500 4.3869 4.7285 5.3999 2.9143 6.0904 1.3844 6.9552 10.1243 8.2497 8.8610 7.7172 5.4295 4.2278 6.3117 6.6144 7.4759 7.1812 5.2448 5.9943 4.8374 6.3593 5.4286 7.5155 6.8686 9.2317 5.2678 5.5690 5.5424 6.4504 3.0570 5.7515 6.0358 3.0068 4.8414 4.8667 3.0879 5.6386 4.3889 2.4915 7.2258 6.1050 4.0413 1.6005 6.7696 4.8270 3.4873 3.3684 1.9629 7.2670 8.1862 9.0424 7.1529 9.2117 5.8106 3.6425 7.5809 3.5299 3.1719 5.7742 1.2150 4.2106 6.0621 3.5067 5.9638 5.8717 6.1098 2.3418 5.3495 1.4372 2.9977 4.8643 1.2552 1.6583 1.3177 6.7311 3.5141 2.8161 2.2553 1.9259 1.3850 2.2577 1.4983 1.3672 1.4255 4.0434 2.8549 2.8727 1.3306 1.9032 2.2009 1.5323 3.5518 1.6921 1.9872 1.1388 3.3001 3.0014 1.4793 1.6211 4.2553 1.6619 1.3786 1.9147 1.1819 2.7690 3.0339 1.9503 1.7732 2.4023 1.6447 2.0252 1.3497 1.5072 1.3730 2.1285 1.9622 1.5945 2.2044 7.5765 1.9472 2.5180 1.2548 2.1721 6.2232 1.0946 2.5443 1.0756 1.4520 1.1126 2.3788 2.5151 9.8279 2.8344 5.6939 5.4921 3.5494 5.5787 5.5318 11.4614 12.2760 8.4958 12.9195 1.0377 1.0644 1.0668 1.1021 1.0993 1.1023 1.0999 1.0867 1.0893 1.0902 1.0890 1.0890 1.0952 1.0957 1.0908 1.0905 1.0924 1.0964 1.0931 1.0997 1.0776 0.0002 0.0004 0.0006 0.0009 0.0017 0.0011 0.0026 0.0009 0.0055 0.0141 0.0189 0.0269 0.0257 0.0285 0.0331 0.0689 0.0731 0.0967 0.1129 0.0870 0.1169 0.1285 0.1798 0.1789 0.2823 0.3274 0.4905 0.3431 0.3850 0.4266 0.5230 0.2608 0.5450 0.6541 0.3659 0.6024 0.6238 0.3979 0.8469 0.6766 0.4444 1.3095 1.1339 0.7946 0.3224 1.4163 1.0445 0.7987 0.8017 0.4914 2.0487 2.3244 2.6194 2.0770 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1.1932 3.9975 32.0950 24.7722 0.1391 18.3347 0.6041 0.4265 4.8845 7.1651 20.3763 3.8901 13.6060 2.0883 50.5012 7.6827 28.6586 3.1551 3.0190 5.9082 2.3762 3.3962 2.9028 3.1406 14.4614 15.8592 9.5474 16.6557 14.1793 1.5514 2.9544 65.6579 11.7369 7.2660 72.5702 60.7507 26.8987 39.9679 19.4958 134.7127 3.9498 12.5142 27.6058 0.3504 22.5474 7.3969 39.0147 3.3359 11.1406 21.6335 6.3811 0.4571 5.5262 3.7613 0.2127 2.3096 6.1055 3.6716 0.8148 0.0697 8.2057 0.5195 3.7352 11.6364 11.9284 4.0035 0.7231 4.5095 6.3513 1.4248 15.9193 219.9038 4.1380 58.0855 22.3167 4.6039 14.4652 88.9498 8.4793 2.4415 42.1434 270.5274 382.1303 31.4148 13.9774 29.2431 260.6023 102.4129 7.7824 150.6346 637.3896 13.7791 44.6140 1.0936 3.7952 178.2814 7.7428 51.2738 11.4523 24.2876 12.2731 15.5357 45.6347 2085.4791 437.9261 49.4144 3.5026 125.9421 92.0145 2.6574 16.7473 536.4391 338.8894 383.3284 47.4671 13.4679 18.9398 30.6727 6.1540 26.6483 6.4993 6.1395 8.6983 49.0247 19.1485 18.4502 29.4533 9.9024 9.9007 3.1409 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14.00307 12.00000 15.99491 12.00000 1.00783 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 31.97207 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 12657.9455 51444.2504 60990.0174 0.99998 0.00506 -0.00420 -0.00507 0.99998 -0.00276 0.00419 0.00279 0.99999 1 0.00684 0.00168 0.00142 0.14258 0.03508 0.02959 10.19 16.06 21.35 25.68 32.93 36.89 38.56 48.06 52.52 69.86 89.64 103.21 108.17 135.72 165.80 195.91 197.00 213.19 235.06 241.35 261.77 305.45 315.17 340.31 363.25 409.26 432.05 478.40 492.83 520.04 533.72 547.44 577.00 617.07 653.85 661.20 671.07 672.83 726.43 735.96 791.60 797.97 807.82 831.14 841.27 857.37 871.92 897.06 914.46 937.81 995.24 998.81 1008.84 1010.06 1017.11 1102.69 1105.42 1117.37 1134.80 1154.36 1165.64 1168.86 1170.89 1242.22 1247.08 1266.22 1274.30 1287.76 1322.49 1327.98 1335.22 1335.66 1357.94 1366.56 1404.44 1427.76 1454.42 1501.20 1518.00 1526.72 1530.30 1547.74 1550.62 1576.37 1580.12 1580.91 1595.19 1602.55 1610.32 1614.64 1625.45 1638.90 1688.06 1701.65 1712.81 1724.50 1746.69 1776.00 1837.25 1843.36 1852.71 1866.23 1870.40 1883.88 1887.58 1889.01 1902.42 1926.38 1934.71 1939.22 1995.70 2005.63 2010.67 2061.42 2092.36 2093.11 2104.64 2127.21 2180.29 2190.05 2191.92 2206.86 2245.12 2253.95 2279.06 2286.87 2320.52 2342.78 2349.10 2350.96 2361.99 2405.66 2439.60 2448.53 2477.98 2530.56 2557.33 2581.70 2597.32 2628.86 2725.16 2758.88 2785.16 2878.14 4606.87 4632.74 4652.23 4682.07 4703.49 4716.02 4728.54 4744.45 4754.70 4756.95 4817.34 4824.45 4849.48 4854.37 4896.84 4897.48 4904.50 4926.42 4951.45 4956.65 5565.95 0.461675 0.492055 0.492999 0.389762 -2308.659963 -2308.629582 -2308.628638 -2308.731875 3.462586D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE Cc1ccc(cc1)[C@H]2CC(=NN2C3=NC(=O)[C@H](S3)CC(=O)Nc4ccc(cc4)C(=O)[O-])c5cccs5 C28160242 RHF 6-31G(d) (6D,10F) C1 517.100424 |X|Y|Z| 78.004688 32.558741 162.787924 74.496665 30 6 7 16 24 4 2 |36.858105| |12.608198|36.858105| |7.538037|13.755468|36.858105| |5.004412|7.891386|13.722068|36.858105| |4.408747|6.778923|7.907123|13.779285|36.858105| |5.015226|7.886198|6.910717|7.991147|13.682350|36.858105| |7.550657|13.670148|8.000791|6.916961|7.909019|13.804044|36.858105| |3.263684|4.403543|5.015928|7.575619|12.562220|7.511949|5.006718|36.858105| |3.036714|3.978878|4.798775|7.369578|8.944106|5.603393|4.200573|17.651096|0.500000| |2.888535|3.713644|4.017408|5.332374|7.420239|5.949014|4.267353|12.315205|0.241832|36.858105| |2.581366|3.206008|3.288874|4.065004|5.542618|5.209015|3.817133|8.004634|0.167752|12.595484|36.858105| |2.586487|3.212942|3.278507|4.046325|5.577741|5.313746|3.857939|8.017331|0.169715|8.192563|15.119686|53.358707| |2.898935|3.732766|3.966778|5.232581|7.657406|6.354452|4.402092|12.972366|0.254338|8.214902|8.885141|18.923475|53.358707| |2.751008|3.441833|3.663082|4.619056|5.923818|5.138547|3.913421|7.652166|0.195147|5.276570|5.622290|11.023107|19.423056|36.858105| |2.870638|3.586538|3.988787|5.066113|5.824320|4.772276|3.847381|6.704472|0.196735|4.483429|4.326140|7.350056|11.379853|14.826166|53.358707| |2.552027|3.035638|3.284479|3.854221|4.177318|3.710088|3.198585|4.524294|0.131730|3.415024|3.420078|5.701822|7.476527|8.643185|18.838319|36.858105| |2.466687|2.861995|3.135898|3.562358|3.628461|3.228922|2.904975|3.769860|0.112601|2.933251|2.866547|4.561729|5.726388|5.709789|11.386816|15.981951|73.516695| |2.269390|2.640102|2.741567|3.126616|3.504836|3.310031|2.866405|3.853029|0.106654|3.125705|3.346151|5.760329|6.811098|7.628158|10.576275|12.379534|14.220370|36.858105| |2.302467|2.635669|2.674327|2.955493|3.281264|3.220413|2.869231|3.430622|0.093080|2.827024|3.023455|5.100191|5.860213|6.013266|8.370998|8.905578|12.369346|17.626318|0.500000| |2.317264|2.751176|2.806841|3.275919|3.955447|3.820673|3.131497|4.649992|0.120302|3.881756|4.556627|8.841010|9.653506|10.803075|9.801157|7.111432|8.847870|10.492257|0.222016|388.023441| |1.936551|2.203421|2.304562|2.597006|2.826204|2.650765|2.344439|3.142609|0.089504|2.676020|2.854760|4.703853|5.251000|5.174247|7.242998|7.537221|11.554422|12.504225|0.247411|48.252208|36.858105| |1.753828|1.964149|2.012382|2.225230|2.436709|2.356668|2.110022|2.678793|0.074476|2.378517|2.606181|4.247340|4.452704|4.084087|5.344037|4.895459|7.767330|7.535100|0.193833|41.214403|12.485973|36.858105| |1.790414|2.002690|2.016837|2.214926|2.465272|2.444623|2.187633|2.684801|0.072786|2.409890|2.702581|4.458714|4.540803|4.094524|5.117203|4.468160|6.892071|6.961344|0.198270|44.731868|8.020150|15.826452|73.516695| |1.572790|1.740489|1.790763|1.964291|2.113771|2.035142|1.845521|2.315035|0.065163|2.095073|2.266362|3.579042|3.712655|3.261235|4.361855|3.868758|6.516917|5.105884|0.133529|29.841268|7.928222|14.161791|14.907270|53.358707| |1.425452|1.559981|1.591683|1.726715|1.853178|1.805752|1.654182|2.012181|0.056213|1.862172|2.023478|3.137045|3.176646|2.688851|3.553320|3.019164|5.130999|3.785865|0.102777|24.041855|5.013235|7.577388|11.373645|18.206974|36.858105| |1.399731|1.525185|1.537496|1.656855|1.792334|1.775103|1.631700|1.932324|0.053185|1.809666|1.993199|3.086446|3.062017|2.549440|3.299846|2.738832|4.585348|3.448074|0.096435|23.174886|4.170677|6.194701|11.368595|10.443467|13.733993|36.858105| |1.274372|1.376401|1.383937|1.480198|1.590662|1.580907|1.466081|1.703846|0.046904|1.616867|1.771802|2.693352|2.651913|2.159031|2.806469|2.283669|3.871197|2.755442|0.077225|18.885182|3.211224|4.274882|7.815304|6.953762|7.963493|13.714362|36.858105| |1.191747|1.282359|1.296992|1.385066|1.473860|1.453761|1.353679|1.578026|0.043829|1.500924|1.624850|2.441135|2.420006|1.958258|2.580277|2.094503|3.607964|2.454265|0.068022|16.598180|2.887804|3.637497|6.302643|6.138602|6.797799|7.836884|13.737967|36.858105| |1.209457|1.305101|1.331360|1.427751|1.510098|1.473304|1.368922|1.623948|0.045570|1.533312|1.644339|2.471434|2.481161|2.024706|2.703219|2.218730|3.867319|2.576708|0.070386|16.961456|3.141231|3.886364|6.334394|7.055859|7.917435|6.866337|8.019596|13.715257|36.858105| |1.313889|1.428559|1.465247|1.583119|1.677856|1.624888|1.499219|1.816529|0.051233|1.693299|1.814781|2.761331|2.804279|2.333531|3.133058|2.627163|4.577655|3.112418|0.083895|19.836873|4.019931|5.157482|7.820075|10.839815|13.697261|7.935578|6.933980|7.895088|13.780730|36.858105| |1.091340|1.166061|1.175888|1.247721|1.321988|1.309070|1.227462|1.406687|0.039010|1.350660|1.456408|2.160166|2.130706|1.697971|2.239579|1.791039|3.099044|2.051231|0.057055|14.080264|2.339793|2.814865|4.958974|4.493692|4.380415|4.946168|7.442418|12.317907|7.457920|4.969788|36.858105| |1.078205|1.149118|1.151928|1.218212|1.295039|1.292078|1.214378|1.372694|0.037820|1.324701|1.435583|2.125280|2.080480|1.646950|2.157210|1.711837|2.944236|1.962952|0.055016|13.690596|2.190974|2.631552|4.770887|4.047006|3.813347|4.557131|6.824889|8.110492|5.273154|4.000973|15.477513|73.516695| |1.040978|1.109811|1.123647|1.191076|1.253928|1.235608|1.161404|1.333376|0.037182|1.281179|1.370158|2.018984|2.001432|1.589944|2.114033|1.687340|2.945671|1.901118|0.052579|12.958558|2.172443|2.541870|4.391991|4.072198|3.815550|3.987379|5.270899|8.116637|6.859949|4.580310|15.463701|15.163238|73.516695| |2.264646|2.702802|2.712122|3.174980|4.004751|3.993420|3.173229|5.002523|0.116406|7.219562|13.012985|10.905657|7.309841|4.051070|4.469099|2.763174|4.229907|2.790470|0.071459|26.269781|2.470809|2.339237|4.356049|2.822632|1.895808|1.894665|1.709534|1.569282|1.572702|1.711407|1.421305|2.508035|2.375419|36.858105| |2.026924|2.360205|2.338035|2.665530|3.262062|3.335191|2.753230|3.897319|0.094141|4.876184|7.546722|8.814534|6.044674|3.643555|4.023490|2.587218|3.971809|2.716944|0.070218|25.907869|2.448783|2.393503|4.534795|2.897568|1.974795|2.005321|1.817002|1.654738|1.640331|1.772811|1.501342|2.666848|2.493355|14.088259|36.858105| |1.836315|2.091904|2.063497|2.300474|2.717410|2.790707|2.396312|3.116451|0.077461|3.857844|5.095378|5.973447|4.577136|2.864869|3.302360|2.167428|3.403933|2.261628|0.059214|20.426544|2.083594|2.060571|3.883146|2.547723|1.767443|1.804798|1.665163|1.529278|1.508616|1.608349|1.406806|2.511472|2.345582|8.213683|13.321743|36.858105| |1.866549|2.123689|2.104308|2.339830|2.730998|2.780585|2.408392|3.098053|0.077399|3.994894|4.871805|5.375560|4.305966|2.659543|3.133705|2.037983|3.235381|2.075029|0.054367|18.206068|1.911311|1.862953|3.465236|2.319084|1.604762|1.623604|1.504241|1.395061|1.384986|1.475021|1.289433|2.294500|2.165087|7.696514|8.242351|14.145458|36.858105| |2.158111|2.522893|2.535710|2.892996|3.452081|3.431066|2.876078|4.023788|0.098174|5.858942|6.806697|6.540778|5.267993|3.079754|3.622532|2.279490|3.598850|2.254763|0.058515|19.805241|2.039578|1.935552|3.562288|2.387750|1.624416|1.621068|1.486540|1.381920|1.386077|1.491822|1.268098|2.240354|2.135913|10.957964|7.448715|7.463979|11.067449|388.023441| |17.537027|8.845112|6.001091|4.347046|3.962261|4.550117|6.556988|3.021641|0.078389|2.647324|2.429092|3.382122|3.789073|2.714180|3.879021|2.594768|4.493151|2.323430|0.066594|16.587212|1.974768|1.794746|3.268837|2.185758|1.455761|1.432495|1.302890|1.215763|1.231924|1.338516|1.112426|1.955612|1.883497|2.138953|1.944378|1.758887|1.767034|14.291510|0.500000| |17.547867|8.833134|5.767197|4.245731|3.947781|4.636839|6.857625|3.018066|0.077143|2.778614|2.512387|3.376684|3.678722|2.528068|3.506117|2.299578|3.921989|2.089417|0.058882|15.437651|1.798555|1.650046|3.013026|2.021595|1.356834|1.340831|1.227053|1.146985|1.158746|1.251975|1.055037|1.859616|1.788089|2.250559|2.020794|1.851516|1.894807|15.506323|0.302204|0.500000| |17.575424|8.836323|7.209862|4.731546|3.945633|4.170973|5.575243|3.016207|0.080181|2.683380|2.370177|3.212713|3.607305|2.533017|3.654619|2.407520|4.208707|2.122007|0.059427|15.186588|1.838021|1.659347|2.983875|2.043408|1.362299|1.330986|1.215782|1.143756|1.165251|1.264526|1.049745|1.839192|1.787242|2.090727|1.872864|1.709350|1.746743|14.344269|0.301939|0.301617|0.500000| |6.974883|8.925680|17.703219|8.937478|5.643512|4.970612|5.666047|4.100817|0.114383|3.404260|2.825003|3.825173|4.543360|3.165439|4.777335|2.996708|5.248773|2.498800|0.067849|17.742587|2.147356|1.877661|3.317362|2.301470|1.508481|1.451368|1.312949|1.238425|1.275467|1.400321|1.126621|1.958268|1.922066|2.385433|2.083240|1.864587|1.907645|16.129541|0.156881|0.147719|0.220208|0.500000| |4.088933|5.635411|8.931458|17.708589|8.932916|5.663716|4.974410|7.033120|0.226841|5.047238|3.801758|5.130610|6.628926|4.426684|6.891476|3.878137|6.526406|3.074434|0.079290|22.366439|2.615582|2.213123|3.852465|2.686240|1.728571|1.641940|1.468000|1.383123|1.436347|1.597113|1.245140|2.150766|2.122410|2.998860|2.529590|2.197741|2.241384|19.634242|0.101090|0.098169|0.112804|0.216788|0.500000| |4.098900|5.631123|4.970699|5.663459|8.885791|17.703779|8.963768|6.944058|0.140647|6.103852|6.102319|8.692079|9.354187|5.343232|6.216257|3.623456|5.487359|3.404793|0.092263|29.761489|2.714382|2.459999|4.622437|2.867595|1.877723|1.865509|1.658141|1.512570|1.522069|1.675674|1.360483|2.397545|2.270992|4.667985|3.912079|3.183028|3.106671|27.011599|0.107070|0.109770|0.096100|0.107808|0.124207|0.500000| |7.010293|8.899649|5.669536|4.973020|5.639129|8.962525|17.693603|4.087739|0.096531|3.680998|3.474033|4.795304|5.198738|3.460853|4.542696|2.879523|4.668525|2.671237|0.075589|20.855896|2.204132|2.024098|3.776803|2.415248|1.606227|1.600527|1.444997|1.329880|1.335511|1.453747|1.210824|2.140601|2.031810|3.010091|2.678562|2.361934|2.361015|19.532169|0.182398|0.198984|0.140800|0.124275|0.107858|0.217426|0.500000| |2.578043|3.212270|3.556069|4.628088|5.660792|4.535301|3.517036|8.657958|0.224467|17.554348|8.888690|8.641302|8.641526|4.566102|5.505473|3.170190|4.936590|2.895748|0.072121|24.820121|2.562752|2.277208|4.043087|2.774324|1.817719|1.753873|1.575062|1.474357|1.514341|1.670039|1.330011|2.310607|2.254004|6.391175|4.499719|3.711163|3.933267|40.996005|0.065775|0.068927|0.067968|0.086944|0.130620|0.126009|0.085577|0.500000| |3.128083|4.043934|4.272304|5.433451|7.320937|6.379435|4.692665|8.672390|0.182308|17.601307|8.781853|8.356175|8.259360|4.295965|5.176013|2.993907|4.677186|2.750086|0.070787|23.573658|2.367209|2.133022|3.866182|2.577608|1.701721|1.665134|1.500578|1.395709|1.419496|1.555002|1.265409|2.215048|2.136690|6.466956|4.464985|3.726322|4.024887|43.640174|0.077923|0.085151|0.080268|0.099544|0.136836|0.177457|0.112313|0.302039|0.500000| |1.902536|2.139796|2.250577|2.500542|2.646578|2.475302|2.234430|2.865945|0.082736|2.433609|2.530441|4.056738|4.579889|4.371553|6.558518|7.086617|12.919630|8.966446|0.213953|36.243043|17.561135|8.838784|10.903637|9.772966|4.716454|3.839603|3.035565|2.798806|3.102009|3.978773|2.283063|3.771314|3.813421|2.203714|2.167181|1.873388|1.739569|13.228302|0.054200|0.048818|0.050563|0.059039|0.070540|0.069196|0.058325|0.065110|0.060608|0.500000| |1.878850|2.150052|2.279879|2.610710|2.838892|2.603940|2.277862|3.266051|0.095132|2.807830|2.984234|4.875254|5.422016|5.220420|7.227973|6.824836|10.484758|8.831602|0.173961|45.310345|17.534932|8.888947|11.101440|9.623983|4.701658|3.858229|3.048898|2.802390|3.092593|3.949613|2.287247|3.784781|3.814140|2.577069|2.540717|2.157602|1.983653|15.116857|0.052612|0.048596|0.049818|0.059156|0.074264|0.073861|0.059028|0.076134|0.068017|0.302831|0.500000| |1.554496|1.719856|1.788236|1.966364|2.090151|1.985507|1.804139|2.293726|0.065588|2.065438|2.197121|3.433098|3.616859|3.173822|4.367105|3.909095|6.809201|4.844438|0.123289|27.466957|7.813924|9.571394|10.891100|26.065427|9.336010|5.739668|4.297832|4.075248|4.951210|7.721419|3.076650|4.861383|5.115020|1.999630|2.028019|1.790259|1.645883|12.145623|0.043976|0.040634|0.041479|0.047213|0.055486|0.056467|0.047866|0.056329|0.051796|0.219570|0.210997|0.500000| |1.481929|1.620098|1.621416|1.747870|1.910697|1.911312|1.750556|2.056105|0.055961|1.921851|2.143009|3.360245|3.307497|2.765916|3.518844|2.911096|4.777993|3.779378|0.107773|26.105437|4.380683|6.735984|14.546739|9.475265|8.914204|17.802925|8.890581|5.608503|4.955221|5.646596|4.051397|7.025907|5.919947|2.034287|2.168027|1.933712|1.724841|12.228664|0.042220|0.039471|0.038898|0.042235|0.047721|0.056315|0.047897|0.051232|0.049102|0.108565|0.109532|0.142848|0.500000| |1.247313|1.341985|1.340247|1.426647|1.537054|1.541320|1.434777|1.637495|0.044758|1.565477|1.723567|2.607825|2.542899|2.046815|2.641637|2.122064|3.581768|2.542053|0.071955|17.836724|2.857701|3.699071|7.055845|5.619715|5.655134|8.904167|17.746426|9.024340|5.702993|4.986019|7.012906|13.837818|8.636067|1.679019|1.798675|1.660387|1.495129|10.415316|0.035453|0.033508|0.032982|0.035274|0.039104|0.045115|0.039530|0.042223|0.040584|0.074778|0.075238|0.098051|0.213948|0.500000| |1.144953|1.230860|1.258900|1.346452|1.414495|1.376029|1.283743|1.517430|0.042768|1.437759|1.529603|2.277292|2.291486|1.854833|2.494415|2.032495|3.577848|2.305537|0.062800|15.192781|2.772790|3.272727|5.327998|5.719523|5.629318|4.951194|5.699933|9.000213|17.750029|8.893253|7.022853|8.642618|13.922641|1.466885|1.523384|1.411068|1.304130|9.285378|0.032347|0.030492|0.030764|0.033657|0.037767|0.039308|0.034763|0.039641|0.037094|0.077135|0.076803|0.116869|0.107608|0.125551|0.500000| |1.316809|1.433148|1.481911|1.605135|1.687495|1.617867|1.492977|1.830562|0.052189|1.697228|1.797781|2.723871|2.800290|2.336989|3.189923|2.691499|4.772038|3.107071|0.082482|19.364792|4.096172|4.859420|7.074338|10.046352|8.892522|5.638926|4.977760|5.623741|8.916240|17.643939|4.061482|5.929112|7.052428|1.683690|1.725689|1.564829|1.446072|10.487844|0.037194|0.034736|0.035362|0.039516|0.045335|0.045988|0.039984|0.046774|0.043211|0.116501|0.114824|0.238778|0.124028|0.107986|0.214018|0.500000| 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