Version2.4 2021-06-09T11:45:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1(CC2=C([C@H](C(=C(N2c3c(c4c(s3)CCCCC4)C#N)N)C#N)c5ccc(cc5)SC)C(=O)C1)C C02188778 RHF 6-31G(d) (6D,7F) CC1(CC2=C([C@H](C(=C(N2c3c(c4c(s3)CCCCC4)C#N)N)C#N)c5ccc(cc5)SC)C(=O)C1)C C01[X(C29H30N4O1S2)] 192 C1 608 CSc1ccc(cc1)[C@H]1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCCC2)C#N CSc1ccc(cc1)[C@H]1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCCC2)C#N CSc1ccc(cc1)[C@H]2C(=C(N)N(C3=C2C(=O)CC(C)(C)C3)c4sc5CCCCCc5c4C#N)C#N InChIKey=JDNGSIROQDQLQG-VWLOTQADSA-N InChI=1S/C29H30N4OS2/c1-29(2)13-22-26(23(34)14-29)25(17-9-11-18(35-3)12-10-17)21(16-31)27(32)33(22)28-20(15-30)19-7-5-4-6-8-24(19)36-28/h9-12,25H,4-8,13-14,32H2,1-3H3/t25-/m0/s1 InChI=1/C29H30N4OS2/c1-29(2)13-22-26(23(34)14-29)25(17-9-11-18(35-3)12-10-17)21(16-31)27(32)33(22)28-20(15-30)19-7-5-4-6-8-24(19)36-28/h9-12,25H,4-8,13-14,32H2,1-3H3/t25-/m0/s1 CC1(CC2=C([C@H](C(=C(N2c3c(c4c(s3)CCCCC4)C#N)N)C#N)c5ccc(cc5)SC)C(=O)C1)C C01[X(C29H30N4O1S2)] 192 C01 608 CSc1ccc(cc1)[C@H]1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCCC2)C#N N#CC1=C(N)N([C]2SC3=[C]([C]=2C#N)CCCCC3)C2=C([C@H]1[C]1[CH][CH][C]([CH][CH]1)SC)C(=O)CC(C2)(C)C CS[C]1[CH][CH][C]([CH][CH]1)[C@H]2C(=C(N)N(C3=C2C(=O)CC(C)(C)C3)c4sc5CCCCCc5c4C#N)C#N InChIKey=JDNGSIROQDQLQG-VWLOTQADSA-N InChI=1S/C29H30N4OS2/c1-29(2)13-22-26(23(34)14-29)25(17-9-11-18(35-3)12-10-17)21(16-31)27(32)33(22)28-20(15-30)19-7-5-4-6-8-24(19)36-28/h9-12,25H,4-8,13-14,32H2,1-3H3/t25-/m0/s1 InChI=1/C29H30N4OS2/c1-29(2)13-22-26(23(34)14-29)25(17-9-11-18(35-3)12-10-17)21(16-31)27(32)33(22)28-20(15-30)19-7-5-4-6-8-24(19)36-28/h9-12,25H,4-8,13-14,32H2,1-3H3/t25-/m0/s1 4243.9542403690 -2203.3170673 1-A 20502.3161 136 472 608 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0.7116 0.8427 0.4683 0.8564 0.8542 0.6106 0.7949 0.7850 0.8551 0.8346 0.8026 0.8515 0.8537 0.7710 0.7810 0.7591 0.8568 0.8550 0.8515 0.6756 0.8324 0.7860 0.5569 0.5656 0.6218 0.4020 0.8136 0.5009 0.8175 0.6383 0.5050 0.2533 0.5127 0.4826 0.4220 0.6060 0.7392 0.5019 0.2819 0.4012 0.3899 0.7448 0.0030 0.1059 0.8565 0.0971 0.8280 0.4433 0.4439 0.8261 0.8360 0.4363 0.6036 0.8508 0.7779 0.5715 0.8458 0.7713 0.8571 0.7868 0.7089 0.2301 0.2781 0.2270 0.8519 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 61 62 63 64 65 66 6 6 6 6 6 6 1 6 6 7 6 6 6 6 16 6 6 6 6 6 6 7 7 6 7 6 6 6 6 6 6 16 6 6 8 6 6 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 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 15.99491 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 13173.9191 28410.0653 31643.0639 0.99994 -0.00725 0.00802 0.00687 0.99888 0.04687 -0.00835 -0.04681 0.99887 1 0.00657 0.00305 0.00274 0.13699 0.06352 0.05703 12.85 29.99 35.03 43.90 49.93 55.57 76.87 88.91 110.56 129.12 131.99 135.15 150.00 162.26 184.36 196.48 217.80 229.78 243.70 277.22 306.94 313.74 337.18 346.09 358.90 396.98 398.92 407.82 430.47 441.92 448.17 466.77 492.11 505.67 518.43 532.31 549.45 554.20 590.74 598.73 614.01 634.40 648.97 660.67 675.09 705.29 736.43 746.66 781.24 785.10 809.17 823.75 831.61 851.90 860.69 867.31 907.70 935.52 955.37 979.25 1003.85 1038.01 1053.40 1086.02 1105.13 1126.27 1144.76 1163.00 1167.30 1208.35 1223.51 1238.91 1249.12 1283.18 1297.94 1330.54 1365.75 1374.00 1385.14 1387.33 1428.87 1464.54 1485.73 1486.78 1490.38 1505.97 1541.26 1547.97 1554.13 1566.50 1567.76 1586.03 1592.65 1595.29 1603.79 1618.88 1637.94 1642.53 1700.15 1717.08 1726.46 1743.70 1747.93 1802.54 1815.96 1818.51 1839.15 1849.90 1857.00 1875.83 1887.59 1897.82 1925.72 1930.14 1959.55 1971.97 2003.68 2022.95 2043.54 2052.18 2053.68 2066.70 2087.97 2097.90 2119.55 2131.24 2153.31 2174.11 2178.50 2190.45 2208.43 2216.63 2223.88 2229.40 2241.95 2246.24 2260.92 2273.68 2316.62 2323.62 2338.63 2346.55 2347.85 2349.58 2351.69 2352.22 2363.31 2371.15 2377.49 2383.04 2387.33 2406.39 2435.87 2527.59 2569.07 2576.08 2596.31 2653.58 2710.98 2839.38 3700.82 3743.36 4594.39 4599.18 4600.99 4601.35 4607.43 4608.84 4617.11 4618.74 4629.19 4643.68 4645.06 4668.46 4673.31 4679.47 4686.28 4690.21 4696.24 4697.17 4702.92 4714.85 4717.05 4725.62 4769.61 4777.07 4848.93 4863.48 4876.71 4895.43 5446.30 5591.21 0.575907 0.608359 0.609303 0.508900 -2202.741160 -2202.708709 -2202.707764 -2202.808167 3.367533D-04 MUNgauss RevisionA2.1 retrievium 09-Jun-2021 DUDE CC1(CC2=C([C@H](C(=C(N2c3c(c4c(s3)CCCCC4)C#N)N)C#N)c5ccc(cc5)SC)C(=O)C1)C C02188778 RHF 6-31G(d) (6D,10F) C1 514.186105 |X|Y|Z| 113.618112 68.657928 53.658746 74.804248 26 6 7 16 24 1 1 |36.858105| |12.422319|36.858105| |7.623893|12.385929|36.858105| |4.931360|7.448518|12.600701|36.858105| |4.359446|6.526271|7.594481|14.285432|36.858105| |3.237752|4.315212|4.858682|7.603979|12.560629|36.858105| |3.026693|3.894140|4.176478|5.837860|9.043912|17.606671|0.500000| |2.897483|3.662987|4.453063|6.842374|7.755865|12.590133|0.250035|36.858105| |3.061961|3.824160|5.071464|7.855184|6.848723|7.598604|0.161718|14.211580|36.858105| |3.825715|4.979302|7.678047|13.476159|7.992757|6.623707|0.141234|8.002155|13.599261|53.358707| |3.648936|4.423333|6.610745|7.763177|5.250146|4.548444|0.103299|5.274310|7.860460|18.371878|36.858105| |3.476963|3.886828|5.571851|5.574253|4.064919|3.558629|0.085366|4.083933|5.637401|10.466242|14.111369|36.858105| |3.068366|3.293818|4.289423|4.132051|3.236387|2.913194|0.070929|3.247435|4.160490|6.974746|8.102710|13.156938|36.858105| |2.946459|3.239303|4.063752|4.033878|3.231542|2.956218|0.070957|3.239938|4.052411|6.688266|7.644178|8.247213|14.103616|36.858105| |3.210874|3.816497|4.914262|5.413571|4.235562|3.884566|0.088787|4.244010|5.430647|9.449192|11.056748|7.516721|7.420810|10.962501|388.023441| |2.529102|2.709478|3.177281|3.128417|2.645063|2.473936|0.060485|2.653898|3.143429|4.887055|4.809720|5.024655|7.358790|12.595085|48.375998|36.858105| |2.191279|2.295999|2.662121|2.625293|2.262294|2.148230|0.053513|2.333930|2.738586|4.099168|3.857315|4.287849|6.213670|7.499036|33.269624|12.418671|36.858105| |2.202198|2.236743|2.571171|2.451335|2.109525|1.971222|0.049715|2.118010|2.465856|3.733629|3.440348|4.022799|5.775358|5.817253|27.139290|7.375858|12.414427|36.858105| |2.556103|2.551703|2.996175|2.758962|2.318154|2.113082|0.053267|2.263559|2.671531|4.179666|3.925945|4.941587|7.452624|6.284829|28.765976|6.341476|7.338531|12.417728|36.858105| |2.728514|2.788623|3.443706|3.229523|2.643147|2.404826|0.060207|2.648871|3.243965|5.130753|5.054307|7.347864|12.572101|7.432927|33.427896|5.923071|6.288423|7.360151|12.425449|36.858105| |3.439613|3.703367|5.210540|5.069535|3.842417|3.357423|0.083556|3.865674|5.139143|8.720595|7.812404|13.245042|7.484080|5.182709|34.515093|3.738103|3.446921|3.428421|4.269044|6.240379|36.858105| |3.255404|3.399604|4.531559|4.371723|3.502839|3.095350|0.079488|3.529015|4.435736|6.958357|5.471383|7.398396|5.308528|3.980524|26.867356|3.087317|2.939173|2.993159|3.674414|5.034494|16.759593|53.358707| |2.626844|3.105215|3.995656|5.246818|4.593068|5.016318|0.118175|7.911482|13.846217|11.098065|7.016791|5.786526|4.404990|4.183859|36.471298|3.259072|2.942077|2.618458|2.797593|3.487382|5.350241|6.293445|53.358707| |2.397251|2.892834|3.356346|4.537032|5.061842|7.514917|0.197941|13.298842|7.995340|7.045636|3.980476|3.327306|2.765644|2.753022|24.206406|2.334255|2.112482|1.919860|2.018542|2.339016|3.240731|4.164052|9.208169|36.858105| |2.104482|2.473687|2.802980|3.574218|3.921245|5.345756|0.151010|7.408674|5.583601|5.444451|3.287762|2.861404|2.448122|2.434533|20.650991|2.112372|1.947500|1.775943|1.848259|2.121450|2.824520|3.696850|7.348397|16.725720|53.358707| |2.904528|3.789843|4.000432|5.510624|7.517812|12.430080|0.249924|7.471575|5.479777|6.829357|3.919191|3.090851|2.667152|2.818865|26.766996|2.439675|2.098211|1.898876|1.992797|2.211171|2.818751|3.508016|5.588512|5.826597|6.282202|36.858105| |2.655316|3.354785|3.325809|4.177741|5.554235|7.525039|0.205565|5.110578|3.974368|5.079679|3.072175|2.541575|2.246544|2.361350|21.310624|2.101240|1.834889|1.680019|1.754502|1.914282|2.369155|3.009389|4.352419|4.555415|5.358122|13.713976|36.858105| |2.364280|2.892844|2.827749|3.371165|4.111701|4.994624|0.133946|3.905729|3.250924|4.223318|2.692070|2.264642|2.059601|2.199392|19.558677|2.008739|1.757336|1.601969|1.650328|1.771676|2.091350|2.653229|3.738572|3.634943|4.480427|7.894455|13.752026|36.858105| |2.272084|2.755057|2.745487|3.243546|3.731972|4.393488|0.111213|3.701485|3.218039|4.209163|2.774885|2.319164|2.148638|2.349168|21.182949|2.176348|1.885575|1.693131|1.721595|1.835093|2.094478|2.623865|3.782414|3.431127|4.242721|6.795014|7.909849|13.724576|36.858105| |2.425071|2.985902|3.094589|3.768879|4.195510|4.976085|0.117088|4.368073|3.882628|5.064804|3.357408|2.716727|2.510278|2.802520|26.584671|2.563279|2.177255|1.919451|1.946501|2.093173|2.387706|2.936365|4.516618|3.890715|4.662427|7.889909|6.896711|7.967972|13.712893|36.858105| |2.741812|3.501633|3.784108|5.015344|5.764676|7.461432|0.156471|6.302123|5.338179|6.786040|4.196045|3.236639|2.871622|3.160601|31.540143|2.762336|2.328786|2.057099|2.123047|2.339203|2.827619|3.441686|5.743483|5.090612|5.677088|13.703039|7.983622|6.904101|7.916267|13.768036|36.858105| |1.947744|2.273594|2.238306|2.523759|2.787442|3.111812|0.081247|2.765654|2.504151|3.317476|2.273190|1.961029|1.865562|2.046581|17.674486|1.958087|1.720097|1.549469|1.554141|1.626377|1.780707|2.246758|3.067609|2.643428|3.386751|4.150808|4.694265|6.888968|10.666267|6.893755|4.698409|388.023441| |1.707449|1.966283|1.976587|2.244347|2.463004|2.833283|0.075516|2.630311|2.363769|3.031604|2.078216|1.816080|1.728634|1.877056|15.905722|1.800837|1.614400|1.452479|1.446896|1.522171|1.667544|2.120591|2.972708|2.643541|3.508308|3.624122|4.024625|5.369151|6.856830|5.321700|4.006411|74.589000|36.858105| |4.916159|7.478786|6.540781|7.806508|12.842098|7.444875|0.200947|5.034294|4.499551|6.928947|3.901462|3.271127|2.722981|2.708840|23.757941|2.296034|1.990459|1.891469|2.080541|2.312083|3.191678|4.103140|4.639846|3.861243|4.362284|5.794428|5.211909|3.962693|3.445892|3.605842|4.470827|18.921004|2.319321|36.858105| |3.929810|5.266822|4.635127|5.408242|8.150930|6.783766|0.212583|4.532050|3.850338|5.503723|3.211019|2.749120|2.346221|2.349750|20.267615|2.038412|1.790542|1.700183|1.844730|2.028654|2.701233|3.527121|4.113742|3.728075|4.328177|5.769764|5.927364|4.379255|3.580080|3.550192|4.240343|19.647357|2.418847|15.908850|73.516695| |7.599518|12.439496|7.660096|6.648702|7.417993|4.835236|0.129410|3.834107|3.731865|6.080375|3.708271|3.263108|2.752773|2.695335|22.601976|2.294400|1.992745|1.933786|2.166189|2.379279|3.237451|4.203351|4.065630|3.066607|3.573294|4.082281|3.765008|3.126980|2.836163|2.968608|3.497524|16.422360|2.012812|12.593570|14.330779|36.858105| |7.627247|12.384149|7.528710|5.975784|5.597948|4.063856|0.099798|3.397601|3.490680|5.981118|4.099488|3.504462|3.136492|3.268916|28.272321|2.824214|2.336147|2.236017|2.484480|2.632611|3.160317|3.877529|3.913872|2.722069|3.193806|3.950990|3.547921|3.180386|3.108587|3.376983|3.826464|18.318730|2.149371|6.126075|8.489604|7.553478|36.858105| |17.536640|8.762117|6.937061|4.516030|3.844088|2.954278|0.075702|2.721191|2.943349|5.053730|3.755439|3.676982|3.353042|3.221421|24.125132|2.778107|2.387726|2.430623|2.867494|3.001912|3.552886|4.492106|3.513173|2.266362|2.721370|2.700845|2.449287|2.218048|2.175686|2.348943|2.628424|13.428174|1.657200|4.053431|5.900329|5.502880|6.935749|0.500000| |17.549546|8.779867|5.513755|4.057289|3.820665|2.946093|0.077905|2.600202|2.681671|4.388731|3.068056|2.914995|2.637281|2.575799|19.913916|2.273119|1.986597|1.995813|2.274610|2.382442|2.876423|3.748494|3.160598|2.194346|2.651878|2.715847|2.557277|2.310518|2.206435|2.308326|2.554060|13.639475|1.671904|4.516637|6.765681|6.883557|6.976636|0.301766|0.500000| |17.546502|8.740896|6.922843|4.662104|4.127408|3.115703|0.082445|2.847950|3.020583|5.056539|3.506802|3.450498|2.994970|2.790452|21.157325|2.383684|2.108475|2.142230|2.510358|2.720911|3.596801|4.799986|3.567032|2.382283|2.860814|2.721628|2.492163|2.202906|2.101901|2.236029|2.539998|12.843467|1.609374|4.616347|6.668442|6.929315|5.505594|0.301330|0.301502|0.500000| |6.795487|8.867155|17.598322|8.911694|5.770999|4.157173|0.098654|3.988799|4.718493|9.807183|7.671810|6.590893|5.232597|5.012714|42.336202|3.787220|3.068265|2.962072|3.517828|4.025337|5.553579|6.207278|5.333678|3.082621|3.551512|3.633303|3.025430|2.654065|2.653692|3.040845|3.638824|15.652970|1.939977|4.939213|6.715363|5.568066|7.152714|0.202198|0.140023|0.165110|0.500000| |7.267802|8.785310|17.504524|9.023519|6.192094|4.299008|0.107342|4.138697|4.766669|9.201192|5.952016|5.643108|4.227333|3.773594|30.108270|2.964000|2.566715|2.535564|3.013813|3.537962|5.996869|7.472224|5.334733|3.224989|3.716290|3.462477|2.944445|2.513451|2.422644|2.690356|3.239587|14.279020|1.807495|5.592732|7.425087|6.713505|5.502433|0.182315|0.144926|0.218035|0.304753|0.500000| |2.372498|2.586695|2.983931|3.033543|2.623538|2.509679|0.061091|2.689253|3.134603|4.735098|4.480379|4.352748|5.640225|8.987171|48.559731|17.559456|8.873910|5.478240|4.677348|4.547154|3.309447|3.777998|4.416097|2.384240|2.946162|2.537601|2.183291|2.113593|2.333385|2.787321|2.950965|15.024376|1.944081|2.267741|3.614078|2.225074|2.753025|0.071260|0.059903|0.061771|0.096551|0.076266|0.500000| |2.636703|2.772442|3.165696|3.009437|2.558304|2.352722|0.057873|2.457608|2.851279|4.500038|4.277604|4.436929|6.118878|8.893023|41.285634|17.519230|8.786535|6.951193|6.271151|5.275867|3.424094|3.917222|3.907165|2.154861|2.656482|2.334893|2.037576|1.959543|2.117632|2.461311|2.619825|13.677337|1.746593|2.269279|3.579460|2.310582|2.944029|0.082043|0.066195|0.068189|0.106269|0.081490|0.304840|0.500000| |2.115897|2.239226|2.630778|2.656841|2.293069|2.209538|0.055051|2.456107|2.917903|4.263199|4.012921|4.517401|6.394348|7.162271|33.277228|8.899353|17.545853|8.802911|6.311875|6.418099|3.655805|4.236764|4.422382|2.245944|2.829487|2.139440|1.859358|1.770512|1.894724|2.195902|2.371168|12.210240|1.631421|1.993896|3.196423|1.971576|2.246202|0.063147|0.053157|0.057105|0.082825|0.071111|0.207131|0.173982|0.500000| |1.990735|2.082200|2.359947|2.342629|2.060885|1.979897|0.049621|2.132496|2.448423|3.596256|3.255307|3.481700|4.620229|5.544226|28.296203|8.884614|17.547991|8.892704|5.462888|4.655271|2.889220|3.431635|3.559893|1.955684|2.477482|1.963953|1.736813|1.683820|1.819584|2.088263|2.190712|11.993980|1.589751|1.832181|2.961637|1.827417|2.146615|0.059924|0.050778|0.053052|0.074428|0.062937|0.226026|0.204372|0.304847|0.500000| |1.999917|2.026271|2.317531|2.234552|1.946088|1.839092|0.046771|1.990595|2.303158|3.410866|3.065034|3.586957|4.841263|4.660892|23.368928|5.476381|8.906332|17.529294|8.848695|6.397422|3.192508|3.891571|3.382053|1.831851|2.329337|1.766108|1.571470|1.499207|1.578376|1.777125|1.900227|10.317313|1.374692|1.751036|2.820013|1.781901|2.006895|0.060581|0.050632|0.054622|0.072593|0.064254|0.123949|0.140001|0.223726|0.208400|0.500000| |2.132168|2.141280|2.403496|2.268119|1.974668|1.841166|0.046640|1.946748|2.227508|3.372204|3.031363|3.424582|4.614085|4.839665|24.260215|6.376946|8.848714|17.527138|8.911872|5.466342|2.965136|3.581292|3.162499|1.768267|2.232890|1.792188|1.601876|1.539815|1.630498|1.834078|1.940745|10.726812|1.407442|1.795913|2.883823|1.849048|2.170490|0.065796|0.054251|0.057220|0.076741|0.065419|0.139164|0.190455|0.174847|0.225030|0.304497|0.500000| |2.410712|2.355940|2.715950|2.483548|2.116719|1.932491|0.049300|2.059623|2.395819|3.695941|3.330961|4.137660|5.525223|4.659128|23.606729|4.684929|5.459873|8.907702|17.548096|8.891175|3.855450|4.738365|3.411006|1.856946|2.332879|1.816435|1.616949|1.522271|1.576540|1.760832|1.911358|10.183530|1.339208|1.929339|3.062414|2.024994|2.269346|0.074913|0.060075|0.066670|0.086556|0.077287|0.103216|0.131455|0.137298|0.123967|0.224386|0.210005|0.500000| |2.842794|2.804226|3.261079|2.911523|2.429193|2.175828|0.054645|2.286198|2.678781|4.295757|4.035086|4.906368|7.097824|6.463276|30.270683|6.518131|6.345762|8.809989|17.536142|8.895647|4.142324|4.819244|3.705814|2.012369|2.490865|2.062515|1.818233|1.712387|1.787149|2.019312|2.198412|11.463156|1.482384|2.198579|3.441224|2.323339|2.762785|0.090888|0.069976|0.076345|0.109415|0.089772|0.132541|0.202605|0.145386|0.138184|0.174682|0.223244|0.305023|0.500000| |2.905930|2.900549|3.600516|3.275419|2.670016|2.391387|0.060467|2.614373|3.180230|5.078351|4.779497|7.102481|8.993006|5.678965|29.284719|4.556279|4.652891|5.476408|8.890444|17.565760|7.182001|8.253077|4.573728|2.304087|2.842947|2.162161|1.882823|1.729271|1.768453|1.995040|2.240938|11.114093|1.461832|2.364870|3.673101|2.475753|2.655746|0.088929|0.069801|0.082305|0.115220|0.106935|0.102471|0.118911|0.130931|0.102795|0.139464|0.124049|0.226561|0.207454|0.500000| |2.404368|2.477305|3.019854|2.935432|2.456337|2.291824|0.057777|2.570902|3.138379|4.735971|4.492643|6.197581|8.885688|6.139857|29.768992|5.233341|6.168909|6.927220|8.795652|17.508553|5.640667|6.508288|4.784708|2.321972|2.902138|2.109798|1.832151|1.699692|1.761779|2.005586|2.232743|11.151747|1.486880|2.144050|3.386292|2.171294|2.343138|0.072013|0.059057|0.067073|0.094672|0.086496|0.117675|0.124754|0.196738|0.129624|0.191433|0.139810|0.205005|0.173934|0.305430|0.500000| |2.346491|2.740471|3.375168|4.322654|4.050843|4.693862|0.115204|7.456600|9.519054|8.053126|5.148012|4.471252|3.639232|3.511921|29.680816|2.871875|2.650833|2.366197|2.483658|3.018729|4.296184|5.329592|25.972281|7.905534|9.131267|3.939774|3.140851|2.714637|2.734748|3.217426|4.004454|15.876000|2.215896|3.114006|5.063648|2.703177|2.563873|0.063702|0.058517|0.065229|0.091063|0.092439|0.080530|0.070767|0.081527|0.066696|0.063209|0.058810|0.062622|0.066841|0.080987|0.085971|0.500000| |2.653924|3.058572|3.997578|4.925280|4.158598|4.253551|0.103667|6.024932|9.455763|10.118857|7.075015|6.698242|4.867447|4.305852|34.414858|3.301375|3.051185|2.772954|3.025728|3.920684|6.751107|7.921624|25.967950|5.287038|6.085869|3.484929|2.808318|2.437291|2.452466|2.867506|3.531362|14.444400|1.963200|3.200698|5.012350|2.907219|2.770906|0.072994|0.064645|0.074710|0.109996|0.113543|0.088704|0.080634|0.094557|0.074227|0.073639|0.067496|0.075653|0.080571|0.106689|0.111376|0.320093|0.500000| |2.654860|3.316859|3.223788|3.965999|5.399626|7.017855|0.226939|4.744407|3.681875|4.720561|2.838181|2.398379|2.108320|2.177007|19.126295|1.936151|1.710048|1.585158|1.666754|1.820352|2.289178|2.954693|4.062118|4.343330|5.205610|8.926476|17.744632|8.942557|5.642369|4.966625|5.666475|27.671908|3.463255|5.549391|12.594897|3.922449|3.385553|0.066972|0.071649|0.070121|0.079882|0.080937|0.055258|0.052346|0.048159|0.044901|0.041371|0.042020|0.043005|0.047918|0.050249|0.048449|0.081884|0.074081|0.500000| |2.193979|2.623135|2.518396|2.911741|3.499586|4.083922|0.114629|3.286777|2.783368|3.639373|2.351607|2.020545|1.852061|1.963026|16.991379|1.811910|1.602492|1.473418|1.516335|1.616542|1.889415|2.421821|3.266679|3.139261|3.975422|5.632023|8.928528|17.729088|8.923639|5.659125|4.969087|46.799513|5.309664|3.532735|7.143895|2.871032|2.864538|0.057054|0.060398|0.057070|0.065664|0.063082|0.052717|0.049386|0.044750|0.042849|0.038462|0.039528|0.039123|0.043680|0.044019|0.043169|0.066286|0.060054|0.216128|0.500000| |2.281168|2.747984|2.874208|3.396034|3.591017|4.065369|0.096789|3.802498|3.563895|4.708023|3.275993|2.681242|2.544481|2.908319|27.419045|2.727357|2.302824|1.999057|1.994929|2.122732|2.322268|2.838432|4.319400|3.444428|4.209223|5.628377|4.965133|5.659533|8.919898|17.727827|8.927558|46.866227|5.233663|3.104393|5.349983|2.659413|3.129237|0.062420|0.060277|0.058391|0.080565|0.069842|0.084389|0.072520|0.064298|0.062010|0.051289|0.053225|0.049874|0.057420|0.055524|0.056644|0.085335|0.076816|0.107770|0.124324|0.500000| |2.800818|3.560002|4.070627|5.519578|5.716180|6.900547|0.141105|6.895773|6.521454|8.257041|5.208091|3.821437|3.363421|3.775612|40.609293|3.210421|2.658340|2.305202|2.376457|2.657020|3.216279|3.821282|6.988918|5.299527|5.787879|8.892554|5.658537|4.969097|5.651255|8.977734|17.725690|27.730009|3.452765|4.199802|6.771055|3.411549|3.824137|0.075812|0.071145|0.072319|0.111905|0.096489|0.096023|0.082802|0.075812|0.068709|0.058811|0.059734|0.058669|0.068070|0.069795|0.070413|0.130609|0.115874|0.124221|0.107813|0.217059|0.500000| |1.580400|1.795267|1.795765|2.004918|2.173053|2.444606|0.065531|2.290966|2.092567|2.709442|1.881251|1.664987|1.600377|1.736352|14.444832|1.686133|1.523042|1.375369|1.363376|1.422907|1.533799|1.957114|2.662971|2.303601|3.079000|3.018032|3.312163|4.230355|5.112022|4.206526|3.301922|57.139793|17.593724|2.069680|3.827203|1.828945|1.962830|0.042793|0.043199|0.041429|0.049218|0.045874|0.050546|0.045640|0.042617|0.041938|0.036253|0.037206|0.035181|0.038786|0.037955|0.038666|0.055077|0.049376|0.081578|0.120101|0.118935|0.081423|0.500000| |1.704359|1.965714|2.011105|2.305038|2.499328|2.908820|0.076441|2.780834|2.513479|3.179677|2.192391|1.908951|1.821206|1.988548|16.937394|1.909260|1.712984|1.526210|1.511477|1.596541|1.741567|2.204789|3.200669|2.826152|3.769504|3.700896|3.895165|4.882325|6.406592|5.668697|4.262310|55.892073|17.614566|2.298782|4.199116|1.992937|2.134708|0.046175|0.045966|0.044740|0.055152|0.051141|0.057741|0.050943|0.048382|0.046919|0.040172|0.040900|0.038715|0.042806|0.042344|0.043527|0.066737|0.058231|0.092139|0.126250|0.162991|0.104310|0.300113|0.500000| |1.691727|1.949329|1.954604|2.231409|2.488040|2.910310|0.079386|2.678378|2.360618|2.995175|2.023529|1.773070|1.671294|1.792862|15.135489|1.703951|1.536217|1.392132|1.395921|1.476702|1.646631|2.108687|2.954885|2.741292|3.681729|3.699395|4.289979|5.741240|6.405396|4.834215|3.871742|55.899449|17.615676|2.364009|4.462454|2.030234|2.101069|0.045261|0.046083|0.044557|0.052701|0.049956|0.050607|0.045858|0.043279|0.041819|0.036716|0.037378|0.036028|0.039649|0.039634|0.040132|0.061667|0.054213|0.104817|0.166908|0.124493|0.091703|0.300181|0.299323|0.500000| |7.105180|8.828972|6.901185|5.941172|6.314704|4.395996|0.122111|3.674891|3.613741|5.773624|3.528885|3.218750|2.685922|2.562047|20.840752|2.176202|1.923231|1.887750|2.132819|2.365308|3.343781|4.484889|4.012927|3.003211|3.533141|3.582721|3.314943|2.765216|2.511658|2.624720|3.080503|14.760491|1.849825|9.074647|11.987492|17.489258|5.499538|0.143421|0.174966|0.214192|0.140228|0.197699|0.058134|0.060537|0.053191|0.048854|0.048702|0.049936|0.055967|0.062965|0.069507|0.060273|0.074450|0.081285|0.097515|0.071320|0.065947|0.084618|0.046916|0.051087|0.052106|0.500000| 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