Version2.0 2020-02-02T00:27:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 13-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)NC(=O)c1csc(n1)C[NH+](CCC(c2ccccc2)c3ccccc3)Cc4ccccc4F C35815685 RHF 6-31G(d) (6D,7F) CC(C)NC(=O)c1csc(n1)C[NH+](CCC(c2ccccc2)c3ccccc3)Cc4ccccc4F C01[X(C30H33F1N3O1S1)] 201 C1 610 CC(NC(=O)c1csc(n1)C[NH+](Cc1ccccc1F)CCC(c1ccccc1)c1ccccc1)C CC(NC(=O)c1csc(n1)C[NH+](Cc1ccccc1F)CCC(c1ccccc1)c1ccccc1)C CC(C)NC(=O)c1csc(C[NH+](CCC(c2ccccc2)c3ccccc3)Cc4ccccc4F)n1 InChIKey=GHWLJHHNLWEUSZ-UHFFFAOYSA-O InChI=1S/C30H32FN3OS/c1-22(2)32-30(35)28-21-36-29(33-28)20-34(19-25-15-9-10-16-27(25)31)18-17-26(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,21-22,26H,17-20H2,1-2H3,(H,32,35)/p+1 InChI=1/C30H32FN3OS/c1-22(2)32-30(35)28-21-36-29(33-28)20-34(19-25-15-9-10-16-27(25)31)18-17-26(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,21-22,26H,17-20H2,1-2H3,(H,32,35)/p+1/fC30H33FN3OS/h32,34H/q+1 CC(C)NC(=O)c1csc(n1)C[NH+](CCC(c2ccccc2)c3ccccc3)Cc4ccccc4F C01[X(C30H33F1N3O1S1)] 201 C01 610 CC(NC(=O)c1csc(n1)C[NH+](Cc1ccccc1F)CCC(c1ccccc1)c1ccccc1)C CC(NC(=O)c1csc(n1)C[NH](Cc1ccccc1F)CCC(c1ccccc1)c1ccccc1)C CC(C)NC(=O)c1csc(C[NH](CCC(c2ccccc2)c3ccccc3)Cc4ccccc4F)n1 InChIKey=YVQWRNSBLHUFDA-UHFFFAOYSA-N InChI=1S/C30H33FN3OS/c1-22(2)32-30(35)28-21-36-29(33-28)20-34(19-25-15-9-10-16-27(25)31)18-17-26(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,21-22,26,34H,17-20H2,1-2H3,(H,32,35) InChI=1/C30H33FN3OS/c1-22(2)32-30(35)28-21-36-29(33-28)20-34(19-25-15-9-10-16-27(25)31)18-17-26(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,21-22,26,34H,17-20H2,1-2H3,(H,32,35)/f/h32H 4042.4465893167 -1890.2501311 1-A 19185.5626 133 477 610 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.11297 -26.44326 -20.61475 -15.84068 -15.71686 -15.67396 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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 67 68 69 6 6 6 7 6 8 6 6 16 6 7 6 7 1 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 9 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 1 1 1 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 1.00783 1.00783 1.00783 17916.0245 23515.2927 28293.8957 0.99991 0.00836 -0.01080 -0.00872 0.99939 -0.03387 0.01051 0.03396 0.99937 1 0.00483 0.00368 0.00306 0.10073 0.07675 0.06379 12.96 22.21 24.65 27.45 31.92 33.75 48.34 64.38 66.62 80.62 87.78 101.32 112.13 123.10 132.18 169.77 191.14 232.59 270.56 285.01 313.49 346.33 356.26 363.87 372.58 392.53 411.90 413.84 426.12 438.57 448.77 484.84 495.96 570.26 586.38 606.74 643.39 653.62 658.58 685.84 702.78 715.26 737.83 752.56 769.43 777.26 798.23 833.99 842.54 864.72 903.39 925.65 951.96 955.48 976.36 979.67 999.64 1003.71 1122.34 1126.12 1143.01 1161.71 1203.01 1213.62 1226.34 1232.20 1234.13 1240.41 1259.01 1290.68 1314.56 1323.79 1332.81 1361.41 1376.00 1376.56 1387.89 1397.14 1427.46 1430.16 1464.43 1468.91 1492.22 1492.90 1507.93 1510.53 1556.12 1566.17 1568.37 1571.99 1582.53 1588.23 1592.02 1601.20 1626.50 1629.72 1632.60 1635.20 1636.45 1639.61 1643.23 1672.91 1695.79 1709.20 1718.32 1742.20 1749.87 1770.18 1775.92 1780.54 1797.08 1830.56 1855.26 1860.53 1874.73 1879.69 1882.75 1887.03 1888.30 1900.75 1922.16 1930.06 1945.09 1976.30 1986.90 1992.48 2030.50 2046.16 2064.19 2090.65 2094.05 2117.20 2126.79 2147.08 2171.30 2184.28 2191.77 2194.08 2219.83 2243.93 2252.01 2267.23 2280.26 2325.91 2330.37 2336.34 2340.60 2344.15 2350.31 2355.16 2360.13 2367.71 2374.57 2378.24 2378.78 2404.09 2408.01 2408.45 2417.26 2474.69 2532.28 2565.08 2567.94 2576.47 2599.03 2604.28 2613.89 2799.50 4596.51 4611.95 4620.14 4646.24 4685.72 4698.10 4700.16 4716.04 4732.51 4734.83 4742.76 4750.81 4753.97 4812.78 4828.07 4829.84 4830.61 4835.29 4839.23 4841.39 4843.24 4855.22 4858.70 4866.98 4874.95 4878.86 4886.11 4886.92 4898.82 4912.57 5000.69 5280.06 5585.51 0.620475 0.652119 0.653063 0.549844 -1889.629656 -1889.598012 -1889.597068 -1889.700287 3.461982D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE CC(C)NC(=O)c1csc(n1)C[NH+](CCC(c2ccccc2)c3ccccc3)Cc4ccccc4F C35815685 RHF 6-31G(d) (6D,10F) C1 502.232838 |X|Y|Z| 79.029541 95.500458 61.802480 77.553298 29 6 7 16 26 2 1 |36.858105| |12.488594|36.858105| |7.512587|12.467583|36.858105| |7.835331|13.013997|7.706372|53.358707| |5.188673|7.741264|5.921610|19.306137|36.858105| |4.526057|6.738636|5.600143|11.496361|15.867210|73.516695| |3.974672|5.019473|4.244749|10.764731|12.706730|14.498786|36.858105| |3.145912|3.857778|3.467262|7.101973|7.641585|12.026846|14.185835|36.858105| |2.633447|3.018261|2.760928|5.291282|4.792527|7.528645|7.557314|11.080193|388.023441| |3.076020|3.428709|3.041632|6.334548|5.276955|7.488812|8.689717|7.917486|78.580271|36.858105| |3.866164|4.438264|3.764103|9.152922|7.540350|9.442272|13.801523|8.299932|53.267844|14.925750|53.358707| |2.732259|2.888994|2.602773|5.014346|3.851789|5.695438|5.249780|4.889797|47.560436|12.646320|10.676956|36.858105| |3.001952|3.027919|2.654909|5.196605|3.731295|5.454692|4.669370|4.034328|33.472740|7.807556|9.499048|12.758688|53.358707| |3.527782|3.541895|3.056024|6.279500|4.311555|6.072464|5.304250|4.260940|32.649815|7.837360|11.568018|9.477770|25.660338|0.500000| |2.938507|2.923348|2.492797|4.914710|3.576753|5.361215|4.324496|3.814774|30.687029|6.214796|7.928257|7.663193|17.135190|0.258442|36.858105| |3.325194|3.132363|2.596733|5.099271|3.503095|5.269672|3.881884|3.307643|24.352717|4.606009|6.666603|5.025549|10.287130|0.208394|12.482481|36.858105| |3.017961|2.843127|2.351588|4.443515|3.133272|4.918767|3.356490|2.973028|21.502400|3.701316|5.277318|3.833169|6.656674|0.132332|7.478826|12.317354|36.858105| |3.058568|2.750350|2.279675|4.087110|2.789943|4.453461|2.843502|2.512451|17.681872|2.966381|4.327510|3.042604|5.155604|0.106760|4.918114|7.590566|12.457036|36.858105| |3.562621|3.081282|2.495130|4.417157|2.937092|4.726425|2.857389|2.487429|16.853188|2.790269|4.211125|2.756258|4.533119|0.097691|4.030121|5.775056|7.445126|13.700932|36.858105| |3.276470|2.771349|2.304786|3.813344|2.522006|4.132450|2.418064|2.133433|14.450726|2.346549|3.510533|2.332987|3.757382|0.080807|3.179494|4.228841|4.975347|7.900336|13.753348|36.858105| |2.713322|2.341894|2.007567|3.241407|2.173235|3.575443|2.124430|1.905044|13.181110|2.127759|3.111071|2.166191|3.484932|0.073463|2.927713|3.789298|4.406962|6.817247|7.923925|13.749149|36.858105| |2.469421|2.185558|1.889393|3.102307|2.110243|3.450940|2.117060|1.914725|13.554512|2.200721|3.154319|2.294791|3.741042|0.077017|3.216706|4.184618|5.006000|7.884477|6.883926|7.962920|13.762188|36.858105| |2.586811|2.329490|1.990951|3.404231|2.337098|3.776510|2.394541|2.159102|15.481934|2.555135|3.635258|2.695047|4.507199|0.091262|4.109845|5.671949|7.564322|13.703052|7.972618|6.904099|7.940662|13.747438|36.858105| |3.055270|2.995146|2.439955|4.725875|3.486604|5.584619|3.724396|3.355332|23.551298|3.853024|5.531953|3.696833|5.842057|0.117676|6.181541|7.392600|12.468843|7.430534|6.214033|4.324800|3.684841|3.895474|5.112993|36.858105| |2.543558|2.526946|2.118821|3.882848|2.937511|4.885919|3.137115|2.976810|21.306643|3.265210|4.501573|3.163310|4.737008|0.093021|4.727978|5.056744|7.583258|5.631489|4.800546|3.690675|3.296839|3.531955|4.468678|13.691569|36.858105| |2.421942|2.468894|2.084444|3.754453|2.929614|5.042598|3.089355|3.027446|21.152743|3.060941|4.217883|2.857741|4.075901|0.081007|3.795090|3.870394|5.012532|4.133643|3.860793|3.135905|2.792786|2.890536|3.429648|7.881378|13.758743|36.858105| |2.682295|2.815183|2.340649|4.307121|3.468175|6.113272|3.578503|3.517418|23.191327|3.277191|4.645408|2.907452|4.058329|0.082700|3.631476|3.676680|4.402886|3.711903|3.683457|3.007295|2.609635|2.618996|3.031314|6.804128|7.933083|13.748526|36.858105| |3.307456|3.518624|2.801127|5.572131|4.511619|7.721185|4.554127|4.213014|26.246769|3.879404|5.817493|3.307038|4.690147|0.098596|4.179265|4.334741|4.960329|4.107938|4.215678|3.319243|2.786910|2.754108|3.207046|7.875637|6.896495|7.964173|13.762252|36.858105| |3.637101|3.689634|2.884063|6.011962|4.533175|7.180850|4.703166|4.073440|26.510614|4.317533|6.628867|3.806075|5.786495|0.122959|5.539860|6.254266|7.414498|5.573800|5.546774|4.003588|3.289798|3.294078|4.010690|13.684019|7.979511|6.895610|7.930051|13.732901|36.858105| |2.630533|2.582346|2.333251|4.198680|2.951966|4.457180|3.474178|3.107813|25.445166|5.048911|6.315284|7.618381|17.136010|0.256326|7.584343|5.929457|4.127974|3.440394|2.997198|2.582023|2.480479|2.711823|3.207411|3.461854|2.934399|2.530145|2.468380|2.756653|3.304741|36.858105| |2.642875|2.592451|2.415768|4.153533|2.863313|4.323852|3.290864|2.925920|23.261129|4.467409|5.827844|6.042327|10.312123|0.205118|4.980978|4.390519|3.259840|2.885110|2.632668|2.338271|2.246872|2.395472|2.716312|2.836370|2.438154|2.163290|2.152535|2.410421|2.809110|12.659101|36.858105| |2.914906|2.766625|2.591744|4.322920|2.856066|4.304825|3.126560|2.712094|20.389174|3.811210|5.364264|4.564058|7.831325|0.177566|4.249413|4.179720|3.136391|2.909381|2.729729|2.468246|2.366343|2.478490|2.744936|2.709460|2.308701|2.053368|2.058323|2.325543|2.717493|7.545198|13.666962|36.858105| |2.732366|2.606094|2.537210|3.949543|2.609566|3.999948|2.789964|2.456714|18.177314|3.228550|4.561878|3.672048|5.695378|0.127669|3.276875|3.236721|2.574265|2.443057|2.348430|2.176230|2.095251|2.160075|2.329093|2.289936|1.990463|1.804442|1.822990|2.043282|2.325633|5.016326|7.887675|13.787835|36.858105| |2.380522|2.338876|2.324948|3.545201|2.416005|3.756105|2.622382|2.376531|17.952510|3.088885|4.212354|3.534237|5.086513|0.109410|2.931224|2.784672|2.273445|2.132583|2.043178|1.896688|1.833431|1.895794|2.042717|2.065722|1.828691|1.678357|1.697574|1.881024|2.099875|4.438903|6.834784|7.951298|13.718171|36.858105| |2.221069|2.226286|2.192041|3.441165|2.413959|3.759886|2.708491|2.509015|19.754804|3.394388|4.408873|4.081210|5.583802|0.114463|3.128621|2.834215|2.311970|2.117335|1.996623|1.831961|1.772785|1.854132|2.026022|2.113916|1.885758|1.732230|1.744681|1.919734|2.134811|5.010802|7.855246|6.860932|7.913242|13.766314|36.858105| |2.324139|2.331280|2.233667|3.691992|2.611589|4.017742|3.019554|2.785902|22.694643|4.098231|5.134636|5.435922|7.575689|0.147156|3.948758|3.415323|2.699419|2.405632|2.221460|2.001409|1.932798|2.048581|2.287258|2.434656|2.152037|1.950583|1.949648|2.151366|2.430624|7.562374|13.770216|8.024107|6.944181|8.035015|13.836020|36.858105| |2.110138|2.149790|2.054854|3.415555|2.492099|3.885290|2.947487|2.823203|24.231268|4.205588|4.943359|5.868629|7.270762|0.131317|3.926801|3.230523|2.622767|2.293231|2.095457|1.879375|1.819918|1.943182|2.185628|2.406353|2.167481|1.976916|1.964189|2.136000|2.381760|6.803197|8.169427|5.308551|4.672626|5.311925|8.163724|14.283869|97.533100| |17.579510|8.833590|6.876081|7.677966|4.201609|6.940366|3.302622|2.726474|16.428221|2.623994|4.329124|2.365127|3.498756|0.081882|2.534081|2.851151|2.658949|2.752691|3.230501|3.095136|2.588854|2.322729|2.379628|2.693815|2.301049|2.214138|2.439226|2.925135|3.133495|2.305470|2.327897|2.567111|2.454257|2.162000|2.010012|2.077438|4.265979|0.500000| |17.559229|8.790534|5.473611|9.687520|5.012583|7.750499|3.975012|3.149970|18.983561|3.147859|5.366433|2.816101|4.311456|0.102919|3.219487|3.797532|3.515900|3.631313|4.425596|3.967939|3.147908|2.820593|2.973840|3.572379|2.900943|2.726841|3.018502|3.802457|4.320734|2.743274|2.676403|2.920537|2.664886|2.308573|2.177509|2.318529|4.768979|0.301275|0.500000| |17.510684|8.778197|6.788081|9.541935|4.695434|7.061875|3.839884|3.034919|18.596385|3.135750|5.347173|2.851982|4.336634|0.105991|3.021029|3.421336|2.991783|3.030937|3.442218|3.187543|2.700484|2.487178|2.604246|2.921294|2.426510|2.274868|2.468155|2.995461|3.368249|2.844491|2.933749|3.347838|3.166032|2.693024|2.458556|2.551402|5.102660|0.302270|0.300207|0.500000| |8.903522|17.631427|8.913890|12.673430|7.389864|13.437893|4.719163|3.791648|20.750618|3.186785|5.451497|2.672990|3.769663|0.087686|2.753945|2.944303|2.773658|2.689700|3.044931|2.743407|2.302549|2.136333|2.270952|3.017148|2.585332|2.583966|3.017367|3.787368|3.787972|2.360217|2.327380|2.440037|2.291474|2.082469|2.007071|2.110374|4.450851|0.212244|0.214049|0.173435|0.500000| |6.841006|8.814599|17.559527|7.606275|4.573802|8.096711|3.456392|2.933249|17.044463|2.601610|4.248065|2.277210|3.181765|0.073584|2.226627|2.344287|2.163479|2.137175|2.363562|2.229983|1.948254|1.815030|1.885686|2.238988|1.969266|1.945569|2.172663|2.555339|2.608124|2.092624|2.163096|2.330940|2.303182|2.115624|1.985188|2.008585|4.169767|0.205186|0.140300|0.167697|0.213001|0.500000| |6.811806|8.784868|17.529833|9.402374|5.233890|8.297979|4.085704|3.328216|19.495517|3.094142|5.189259|2.697733|3.763388|0.089379|2.526933|2.620607|2.321340|2.249255|2.430305|2.252874|1.985893|1.882583|1.983350|2.353953|2.037923|1.978858|2.184685|2.590760|2.725855|2.465787|2.620383|2.866484|2.862178|2.609079|2.416259|2.427126|4.939701|0.169430|0.139326|0.201288|0.173696|0.301137|0.500000| |5.483152|8.812883|17.587870|9.528309|6.346012|11.565829|4.492400|3.782729|20.748354|3.096974|5.145277|2.595668|3.498751|0.081028|2.408981|2.447368|2.230845|2.129183|2.295948|2.109221|1.852795|1.761000|1.866122|2.349547|2.067093|2.061504|2.335956|2.773797|2.785141|2.244551|2.315157|2.429563|2.381066|2.229095|2.136478|2.176977|4.571210|0.140702|0.122915|0.139343|0.214600|0.301485|0.300308|0.500000| |7.296487|8.970721|6.444930|26.068020|9.480898|10.891400|7.589634|4.963297|28.285622|5.168543|10.680512|4.185852|6.103862|0.159397|4.047168|4.205635|3.468339|3.164687|3.355542|2.879494|2.469636|2.388994|2.642136|3.536077|2.858922|2.693022|3.001262|3.821644|4.341350|3.580902|3.595679|3.804823|3.413152|2.994922|2.881641|3.118565|6.346198|0.144932|0.187528|0.211247|0.181294|0.135140|0.183837|0.158848|0.500000| |2.933862|3.643141|3.358243|6.278737|6.746142|12.638801|8.806274|17.813597|54.913599|5.505142|7.807528|3.861180|4.483673|0.095807|3.187444|2.846884|2.641651|2.280943|2.284327|1.986860|1.777314|1.774464|1.977456|3.011274|2.748994|2.877292|3.399903|3.956206|3.636096|2.646785|2.518152|2.365942|2.181587|2.124630|2.227024|2.426239|5.542944|0.072162|0.081004|0.077402|0.102929|0.080196|0.087625|0.104713|0.117109|0.500000| |2.418303|2.543852|2.301141|4.285415|3.341524|5.123795|4.415355|4.396807|45.317365|8.813958|7.948557|17.626732|12.361053|0.183656|7.323406|4.653228|3.765206|2.948227|2.622696|2.227217|2.092263|2.244399|2.651855|3.672295|3.263264|2.951141|2.935373|3.224284|3.642412|6.611106|5.025832|3.842418|3.164986|3.098234|3.610391|4.727783|12.429725|0.059054|0.069769|0.069222|0.066687|0.056755|0.065492|0.064086|0.096146|0.099885|0.500000| |2.587808|2.733897|2.539598|4.645239|3.513821|5.257298|4.605964|4.347209|40.942993|8.912870|8.727819|17.667858|12.332542|0.214931|5.610395|4.141912|3.230586|2.680760|2.463393|2.133606|2.000508|2.109666|2.427676|3.080970|2.688007|2.460299|2.507028|2.817288|3.173150|7.424663|6.993407|4.977967|4.108179|4.137036|5.068396|7.061084|17.883641|0.062792|0.072633|0.076171|0.069578|0.061835|0.074445|0.070542|0.108340|0.098130|0.302214|0.500000| |2.966647|3.047945|2.573131|5.233488|3.997634|6.003397|5.046034|4.533098|36.840251|7.311353|9.048173|7.644453|12.359956|0.212127|17.692133|8.858324|6.927265|4.532757|3.869690|3.037230|2.746178|2.952431|3.701157|7.054061|5.374540|4.421885|4.334553|5.091239|6.726635|5.622560|4.141352|3.603813|2.906691|2.656163|2.839481|3.483448|7.970800|0.070936|0.090387|0.082674|0.081161|0.063498|0.071260|0.070052|0.116116|0.103326|0.210819|0.149185|0.500000| |2.527465|2.507088|2.185384|4.082166|2.999970|4.632874|3.567269|3.299839|27.402903|5.064482|6.161852|6.603638|12.373676|0.182827|17.602950|8.743390|6.648374|4.543203|3.617059|2.939318|2.798038|3.162964|4.063148|5.401933|4.549933|3.631989|3.340455|3.636628|4.558695|7.390615|4.693729|3.893900|3.051910|2.786863|3.028170|3.848799|8.964439|0.061810|0.076224|0.072138|0.066258|0.054921|0.061595|0.059001|0.091627|0.078532|0.201377|0.142606|0.301680|0.500000| |3.098181|2.850388|2.420537|4.491890|3.035599|4.626898|3.301438|2.855908|21.198809|3.920023|5.580366|4.472384|9.190567|0.184244|8.811114|17.573383|8.898329|7.274637|5.428125|4.245302|4.004948|4.594784|6.233091|5.471567|4.162167|3.269530|3.077053|3.503686|4.682319|6.404530|4.731744|4.628618|3.495936|2.942533|2.958438|3.568241|7.424969|0.075010|0.096748|0.090701|0.073790|0.061355|0.068819|0.062956|0.103648|0.069264|0.115760|0.107949|0.173542|0.212264|0.500000| |4.097853|3.785995|3.029051|6.314810|4.129714|6.017939|4.430336|3.575570|24.983710|4.827264|7.675298|4.884640|9.605314|0.230236|8.866804|17.554956|8.774002|6.795180|6.101706|4.426974|3.769543|3.914433|4.939273|6.709115|4.542149|3.672645|3.679346|4.581920|6.745103|5.349578|4.338939|4.352725|3.403832|2.876619|2.862514|3.374346|6.999429|0.094272|0.133280|0.117690|0.096861|0.074990|0.084876|0.077991|0.149027|0.084880|0.119189|0.113928|0.209575|0.172973|0.303748|0.500000| |2.582637|2.463418|2.091180|3.815463|2.739809|4.366054|2.983288|2.728851|20.420228|3.429038|4.672510|3.690329|6.256414|0.117975|7.035622|8.963021|17.543747|9.037855|5.633948|4.224817|4.027313|4.855796|7.487413|9.028574|7.445531|4.848189|4.026728|4.227604|5.644638|4.080171|3.156746|2.964602|2.444541|2.190863|2.258215|2.653021|5.916529|0.064218|0.081443|0.071622|0.066920|0.053744|0.057631|0.055628|0.082488|0.067857|0.104919|0.086995|0.176801|0.204220|0.215723|0.174549|0.500000| |4.172605|3.609872|2.815190|5.181075|3.416207|5.481084|3.235741|2.766886|18.201698|3.008576|4.669958|2.869159|4.638517|0.102089|4.080711|5.645822|6.865177|8.889005|17.733239|8.960972|5.653081|4.959390|5.653708|6.756173|4.967476|4.153839|4.187906|5.105601|6.918174|2.958493|2.623111|2.714179|2.348401|2.051632|2.006371|2.226441|4.729463|0.103036|0.151327|0.107890|0.100563|0.073586|0.074880|0.071684|0.107058|0.070595|0.074989|0.070741|0.113220|0.098550|0.137669|0.179872|0.140716|0.500000| |3.479819|2.881684|2.392996|3.834139|2.513145|4.167641|2.351211|2.072411|13.802787|2.214496|3.345499|2.166983|3.422462|0.074378|2.820774|3.605646|4.062675|5.634514|8.934803|17.719155|8.915799|5.655799|4.968334|3.764834|3.268746|2.896700|2.860319|3.173422|3.685646|2.344061|2.167464|2.306594|2.070633|1.812027|1.738853|1.876597|3.956946|0.093837|0.117866|0.092210|0.080083|0.065255|0.064385|0.060366|0.079169|0.054122|0.057182|0.055502|0.076050|0.072077|0.099163|0.107905|0.096913|0.216994|0.500000| |2.512098|2.166222|1.886261|2.949288|1.979413|3.287319|1.921973|1.735367|11.981013|1.911627|2.787070|1.942244|3.074658|0.064847|2.522544|3.142484|3.529476|4.923615|5.639093|8.906322|17.725216|8.910138|5.644868|3.065358|2.810084|2.451841|2.314151|2.448142|2.806433|2.213206|2.042458|2.164213|1.951180|1.717314|1.651805|1.779295|3.767926|0.067906|0.079513|0.069544|0.059297|0.051397|0.051885|0.048354|0.062091|0.045310|0.052161|0.050376|0.066144|0.067422|0.092288|0.087568|0.091521|0.124361|0.214713|0.500000| |2.188949|1.956190|1.719579|2.767608|1.896066|3.118946|1.912020|1.748261|12.489636|2.007817|2.842529|2.113857|3.401777|0.069316|2.868606|3.558694|4.094506|5.626860|4.957977|5.653449|8.912636|17.720193|8.924785|3.285710|3.078246|2.572162|2.325798|2.408662|2.810922|2.524415|2.250905|2.322134|2.046439|1.811006|1.773401|1.947808|4.173870|0.057694|0.068126|0.061603|0.053081|0.046065|0.047802|0.044731|0.059185|0.045197|0.057877|0.054555|0.073062|0.080089|0.109850|0.091802|0.115500|0.107639|0.124187|0.214527|0.500000| |2.335572|2.144749|1.858849|3.168326|2.207374|3.570372|2.307554|2.109999|15.483300|2.547083|3.534695|2.755024|4.601155|0.090295|4.244636|5.496781|7.053073|8.900326|5.654096|4.965949|5.654102|8.945182|17.687956|4.772801|4.365571|3.333010|2.889819|2.995676|3.682140|3.360692|2.783189|2.747259|2.318551|2.054315|2.064243|2.353852|5.125261|0.059675|0.073142|0.065742|0.057960|0.048753|0.051696|0.048822|0.068568|0.053574|0.076738|0.068952|0.104250|0.123241|0.172893|0.125711|0.230969|0.124014|0.107748|0.124303|0.216437|0.500000| |2.289101|2.248472|1.918857|3.411540|2.552212|4.251273|2.731051|2.612712|19.151426|2.933650|3.971752|2.948062|4.445873|0.085803|4.403785|4.699055|7.089872|5.565983|4.476965|3.576849|3.347935|3.737366|4.806809|8.907930|17.701552|8.946542|5.650738|4.963036|5.658955|2.862725|2.365464|2.232120|1.926088|1.774336|1.834202|2.094447|4.770397|0.058103|0.071771|0.061450|0.063344|0.049861|0.051730|0.051916|0.070539|0.067259|0.085804|0.070525|0.131355|0.125005|0.113200|0.112951|0.228087|0.120815|0.086616|0.079367|0.092043|0.137024|0.500000| |2.137812|2.178077|1.874961|3.262139|2.544648|4.439119|2.677846|2.675905|18.971444|2.684040|3.641911|2.543401|3.578555|0.070605|3.243726|3.261302|4.101815|3.536627|3.301308|2.793507|2.554603|2.658835|3.085926|5.626732|8.933832|17.722357|8.911151|5.655217|4.964161|2.278716|1.965913|1.863465|1.653180|1.550201|1.603729|1.794665|4.120954|0.054993|0.065960|0.056062|0.063321|0.049004|0.049582|0.051736|0.065055|0.071731|0.073841|0.061775|0.102274|0.088815|0.079082|0.085439|0.115260|0.096045|0.072182|0.063275|0.067034|0.084752|0.216532|0.500000| |2.479280|2.641652|2.238317|3.964926|3.244895|5.938204|3.298614|3.346758|21.774775|2.955017|4.159505|2.606890|3.558056|0.072637|3.065807|3.059496|3.526959|3.086945|3.108371|2.635939|2.316473|2.306993|2.604948|4.916861|5.642206|8.904133|17.726631|8.911079|5.640549|2.199989|1.951879|1.870352|1.679008|1.577608|1.621624|1.793606|4.081109|0.063536|0.076093|0.063122|0.079757|0.058166|0.057651|0.062813|0.075763|0.093158|0.073283|0.063514|0.099817|0.079408|0.072994|0.085652|0.091524|0.097039|0.070903|0.058051|0.057708|0.069376|0.124262|0.214484|0.500000| |3.582832|4.003991|3.139842|6.331596|5.394712|9.730105|5.085546|4.680963|26.893733|3.862935|5.989069|3.173376|4.393062|0.094357|3.693181|3.783121|4.051675|3.508575|3.715122|3.033746|2.546900|2.476375|2.809001|5.623571|4.963963|5.653096|8.910809|17.713892|8.925538|2.593468|2.327357|2.265816|2.018785|1.866344|1.895214|2.098479|4.664582|0.087885|0.112531|0.087958|0.124484|0.079060|0.078794|0.087585|0.114741|0.126015|0.084410|0.076373|0.122563|0.088985|0.087058|0.114900|0.097034|0.125853|0.082763|0.063135|0.060692|0.072811|0.107690|0.124147|0.214517|0.500000| |4.483189|4.511715|3.366107|7.713192|5.484682|8.153306|5.488661|4.370381|27.406994|4.739074|7.929238|4.080278|6.388848|0.144507|5.759475|6.832532|6.801578|5.438956|5.705886|4.123874|3.325991|3.269041|3.911239|8.858084|5.648132|4.964013|5.663113|8.986539|17.714667|3.566989|3.084825|3.043206|2.586252|2.299465|2.310055|2.625154|5.667765|0.102760|0.152373|0.114860|0.125095|0.082964|0.088491|0.088636|0.156996|0.105770|0.103580|0.094965|0.185045|0.124969|0.140629|0.239781|0.140607|0.207263|0.106963|0.079009|0.077249|0.098411|0.123893|0.107718|0.124557|0.217942|0.500000| |2.651609|2.531788|2.262231|4.029476|2.781297|4.235076|3.159191|2.806706|22.161684|4.214201|5.544869|5.636477|12.412880|0.213045|7.509676|6.887506|4.651125|3.957354|3.346467|2.880150|2.806925|3.135963|3.770416|3.649111|3.062715|2.580576|2.477892|2.756711|3.370209|17.674661|8.936672|7.106198|4.729042|3.998325|4.236316|5.723724|11.453598|0.064857|0.078063|0.079734|0.064538|0.056951|0.066074|0.059762|0.094791|0.067436|0.143219|0.146877|0.147938|0.209384|0.239475|0.163302|0.128674|0.089247|0.071350|0.068848|0.080907|0.111029|0.084227|0.064493|0.060897|0.071164|0.100676|0.500000| |2.313358|2.298898|2.099580|3.695056|2.666163|4.108012|3.160779|2.942238|25.037763|4.675891|5.534807|7.286666|12.377422|0.181817|6.673257|4.969939|3.767945|3.123301|2.699161|2.347266|2.283494|2.520876|2.974365|3.235291|2.843550|2.469807|2.379651|2.593977|3.037299|17.654175|8.829060|5.614308|4.191950|3.974110|4.722987|7.129094|17.492657|0.057074|0.066877|0.068447|0.059231|0.052692|0.061130|0.056772|0.085231|0.070343|0.203414|0.201343|0.145421|0.208558|0.145593|0.121187|0.108050|0.073703|0.059278|0.056972|0.066126|0.088617|0.078294|0.062623|0.059326|0.067487|0.088248|0.302314|0.500000| |3.212166|2.943050|2.688441|4.556478|2.935421|4.408151|3.138993|2.676579|19.653162|3.675652|5.357105|4.254500|7.776189|0.183437|4.516555|4.828738|3.528805|3.349522|3.150441|2.840553|2.712318|2.834171|3.143646|2.958184|2.473972|2.170893|2.168747|2.470977|2.948628|6.991548|8.899777|17.691569|8.946483|5.653411|4.944086|5.679322|9.598642|0.077995|0.091055|0.103724|0.071879|0.067464|0.081982|0.068857|0.112158|0.065038|0.100667|0.120933|0.104461|0.112539|0.155222|0.142998|0.090820|0.086137|0.073109|0.068265|0.072878|0.086028|0.066361|0.054352|0.054283|0.066426|0.092940|0.211169|0.142246|0.500000| |2.822577|2.630417|2.587000|3.870111|2.510889|3.879693|2.604156|2.283510|16.483614|2.866522|4.143511|3.140862|4.867125|0.110383|2.938087|3.006772|2.442609|2.378147|2.328998|2.195628|2.115539|2.150891|2.276718|2.178287|1.896207|1.725226|1.747934|1.960038|2.222072|4.091474|5.626295|8.933077|17.744064|8.900299|5.637366|4.991016|8.321993|0.071261|0.075688|0.092466|0.063925|0.066018|0.081880|0.066476|0.092197|0.056987|0.076227|0.094718|0.073238|0.075804|0.090409|0.089135|0.063973|0.064620|0.058590|0.055215|0.056675|0.062208|0.050952|0.043970|0.044852|0.054044|0.068855|0.111995|0.096570|0.215997|0.500000| |2.231393|2.195468|2.225926|3.259656|2.225663|3.508455|2.374319|2.172913|16.193355|2.698083|3.702841|2.990620|4.221949|0.090749|2.522525|2.424494|2.027626|1.925276|1.864226|1.751148|1.696955|1.741435|1.853055|1.862635|1.664536|1.541277|1.563488|1.723285|1.900557|3.550433|4.933659|5.653737|8.907435|17.737069|8.949926|5.693901|9.617297|0.057080|0.059537|0.069932|0.054490|0.056851|0.069675|0.059427|0.075278|0.054723|0.074104|0.095551|0.064520|0.066917|0.070731|0.069790|0.054331|0.052067|0.046859|0.044546|0.046440|0.051587|0.044906|0.039753|0.040648|0.047771|0.057545|0.090963|0.090512|0.124324|0.214583|0.500000| 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