Version2.0 2020-04-08T01:00:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 23-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)N2C(=O)c3cc(nn3C[C@@]2(C)C(=O)NCc4ccc(cc4)OC)c5cccs5)C C64815051 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)N2C(=O)c3cc(nn3C[C@@]2(C)C(=O)NCc4ccc(cc4)OC)c5cccs5)C C01[X(C28H28N4O3S1)] 186 C1 600 COc1ccc(cc1)CNC(=O)[C@]1(C)Cn2nc(cc2C(=O)N1c1cc(C)ccc1C)c1cccs1 COc1ccc(cc1)CNC(=O)[C@]1(C)Cn2nc(cc2C(=O)N1c1cc(C)ccc1C)c1cccs1 COc1ccc(CNC(=O)[C@]2(C)Cn3nc(cc3C(=O)N2c4cc(C)ccc4C)c5sccc5)cc1 InChIKey=CFSMYPHGITUKKJ-NDEPHWFRSA-N InChI=1S/C28H28N4O3S/c1-18-7-8-19(2)23(14-18)32-26(33)24-15-22(25-6-5-13-36-25)30-31(24)17-28(32,3)27(34)29-16-20-9-11-21(35-4)12-10-20/h5-15H,16-17H2,1-4H3,(H,29,34)/t28-/m0/s1 InChI=1/C28H28N4O3S/c1-18-7-8-19(2)23(14-18)32-26(33)24-15-22(25-6-5-13-36-25)30-31(24)17-28(32,3)27(34)29-16-20-9-11-21(35-4)12-10-20/h5-15H,16-17H2,1-4H3,(H,29,34)/t28-/m0/s1/f/h29H Cc1ccc(c(c1)N2C(=O)c3cc(nn3C[C@@]2(C)C(=O)NCc4ccc(cc4)OC)c5cccs5)C C01[X(C28H28N4O3S1)] 186 C01 600 COc1ccc(cc1)CNC(=O)[C@]1(C)Cn2nc(cc2C(=O)N1c1cc(C)ccc1C)c1cccs1 COc1ccc(cc1)CNC(=O)[C@]1(C)CN2N[C@@H](C[C@H]2C(=O)N1c1cc(C)ccc1C)c1cccs1 COc1ccc(CNC(=O)[C@]2(C)CN3N[C@@H](C[C@H]3C(=O)N2c4cc(C)ccc4C)c5sccc5)cc1 InChIKey=FCCNYEAFDLJHMX-HPJWIMSGSA-N InChI=1S/C28H32N4O3S/c1-18-7-8-19(2)23(14-18)32-26(33)24-15-22(25-6-5-13-36-25)30-31(24)17-28(32,3)27(34)29-16-20-9-11-21(35-4)12-10-20/h5-14,22,24,30H,15-17H2,1-4H3,(H,29,34)/t22-,24-,28-/m0/s1 InChI=1/C28H32N4O3S/c1-18-7-8-19(2)23(14-18)32-26(33)24-15-22(25-6-5-13-36-25)30-31(24)17-28(32,3)27(34)29-16-20-9-11-21(35-4)12-10-20/h5-14,22,24,30H,15-17H2,1-4H3,(H,29,34)/t22-,24-,28-/m0/s1/f/h29H 4016.4224200827 -1916.504021 1-A 20289.0065 132 468 600 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 6.1935 15.7188 18.8858 19.7903 22.6058 24.8590 32.8954 48.8872 55.6676 66.4649 73.1631 96.7690 100.5909 104.5180 141.0503 143.4043 158.2008 187.0074 198.0756 206.3892 224.0764 228.9065 236.6236 242.1188 253.9832 265.1478 277.0419 295.1507 307.2876 319.9034 344.5879 346.2246 351.4266 363.0654 369.2670 380.1216 405.3935 441.7260 455.4763 466.2650 476.0080 492.7806 507.8253 509.8515 526.9895 537.4196 551.8248 570.3249 581.7717 608.7762 615.5497 627.0779 636.9116 645.4504 688.8060 700.5565 704.8733 710.3412 759.3739 782.8355 790.2019 790.6214 803.0522 804.7707 809.5089 818.2581 827.4039 851.6907 864.0279 894.9237 902.6918 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2.6447 2.0475 4.3012 0.6886 15.4887 19.6451 9.8908 0.1717 25.9580 3.2562 0.5513 8.3306 5.4643 2.9093 2.7654 35.3313 58.5851 12.2205 5.1365 0.1148 10.4347 6.0882 9.2195 0.6868 8.1760 12.1171 3.2970 5.8639 6.8121 0.8547 2.1952 72.2184 1.2121 4.8910 22.7207 1.0800 40.7389 4.1031 9.8268 29.2445 19.8678 7.0508 94.0385 8.7941 3.4304 3.2965 3.2211 1.2405 22.3598 3.4795 0.7734 2.6975 2.6294 0.1160 0.0926 0.3370 6.6327 1.1492 0.3625 2.8531 5.8764 14.8032 0.5338 21.9103 7.1075 51.3671 16.1678 13.8312 30.2697 1.5012 3.8478 25.7409 5.3298 29.5772 2.9475 40.4255 14.5839 11.0166 10.2915 35.1946 3.9350 3.1101 49.8770 69.7006 22.6006 24.7953 139.0764 35.0295 335.3224 283.3317 3.7330 0.0960 131.5621 33.4355 6.6143 29.9921 6.2112 102.5858 2.6585 7.1900 94.2417 3.4700 2.8535 33.5762 62.0667 4.6024 10.9223 8.3527 10.1886 4.5235 21.6676 53.0321 43.6831 37.8500 3.5143 40.4231 521.8007 82.6003 8.4962 3.9340 2.3117 11.9120 5.5754 88.4046 318.3310 327.8586 45.2747 45.4639 31.0391 34.9820 25.8499 35.7776 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1876.71 1909.07 1917.04 1920.78 1926.96 1966.52 1970.05 1979.57 1983.13 2029.38 2051.30 2063.83 2085.60 2110.95 2128.38 2145.55 2181.75 2206.68 2238.42 2243.20 2254.23 2257.15 2260.62 2265.90 2283.89 2347.04 2347.75 2349.63 2355.35 2360.99 2364.39 2371.33 2375.97 2383.39 2388.45 2389.06 2398.10 2398.71 2425.98 2442.64 2454.92 2521.74 2548.08 2554.64 2557.08 2622.85 2623.27 2764.69 2830.23 4610.85 4618.08 4624.99 4655.91 4658.93 4669.84 4687.73 4709.36 4713.76 4721.70 4732.19 4732.99 4773.16 4789.90 4797.08 4821.67 4832.52 4835.61 4836.51 4846.64 4853.22 4883.91 4887.83 4902.63 4921.46 4954.84 4986.25 5672.41 0.554229 0.585464 0.586408 0.485041 -1915.949792 -1915.918557 -1915.917613 -1916.018980 3.399866D-04 MUNgauss RevisionA2.0 retrievium 08-Apr-2020 DUDE Cc1ccc(c(c1)N2C(=O)c3cc(nn3C[C@@]2(C)C(=O)NCc4ccc(cc4)OC)c5cccs5)C C64815051 RHF 6-31G(d) (6D,10F) C1 500.188213 |X|Y|Z| 90.755036 99.158070 47.119054 75.127416 29 6 7 16 24 4 1 |36.858105| |12.609192|36.858105| |7.543072|13.707276|36.858105| |5.018794|7.915159|13.807338|36.858105| |4.390077|6.734816|7.852975|13.674522|36.858105| |4.991746|7.847434|6.893443|8.017369|13.714394|36.858105| |7.539360|13.767994|8.037417|6.973386|7.899150|13.700449|36.858105| |3.852729|5.125679|4.527804|5.110263|7.670983|13.176113|7.865031|53.358707| |3.439015|4.308138|3.841234|4.230683|5.769789|7.952272|6.030279|18.761808|36.858105| |3.402376|4.256142|3.930131|4.373295|5.749438|6.978113|5.536435|11.426939|15.943208|73.516695| |2.925157|3.414785|3.026878|3.214452|4.046077|5.173423|4.491812|10.725355|12.879726|14.496745|36.858105| |2.510419|2.826722|2.553641|2.685811|3.231006|3.851688|3.494789|6.926567|7.321550|11.194322|13.945524|36.858105| |2.305602|2.528102|2.271923|2.352194|2.766145|3.276694|3.071568|5.736605|5.215075|7.857764|8.715856|13.501038|36.858105| |2.454810|2.695832|2.387758|2.457578|2.908247|3.536176|3.337223|6.364263|5.299866|7.474957|8.629956|8.482554|14.477851|53.358707| |2.852143|3.248251|2.838241|2.954388|3.631747|4.664443|4.244376|9.377169|7.777883|9.619160|14.214607|8.751375|9.076937|19.709934|53.358707| |3.164426|3.641956|3.123485|3.219753|3.967205|5.288551|4.885940|10.490601|6.581059|8.320329|7.757564|5.335396|5.451538|10.652319|17.955891|36.858105| |3.365533|4.165157|3.699722|4.033761|5.402046|7.424002|5.786774|17.460321|7.664740|9.422481|6.865658|4.659437|4.297482|7.153409|10.767103|12.407914|36.858105| |3.604133|4.438806|3.968398|4.221760|5.280947|6.708519|5.788604|10.357646|5.029850|7.098519|4.481091|3.413466|3.261533|5.308178|6.904629|7.622027|12.427592|36.858105| |2.675457|3.215260|3.033533|3.413281|4.457575|5.155851|4.058417|10.232017|5.954314|8.013464|5.868292|4.413064|4.160979|6.696904|8.876396|7.715197|12.265072|7.709092|36.858105| |2.397960|2.784119|2.627026|2.882156|3.554504|4.005061|3.384858|7.138771|4.446831|6.316456|4.697923|3.820491|3.864250|6.390270|7.624128|6.747647|8.024528|6.586433|15.821092|73.516695| |2.508558|3.043533|2.978925|3.481623|4.638380|4.933757|3.740523|9.305056|6.038553|8.675465|5.571795|4.409872|3.915251|5.765902|7.255130|5.398193|7.651842|5.482915|14.249211|15.164631|53.358707| |2.111467|2.487412|2.478379|2.863931|3.575179|3.619303|2.916736|6.121035|4.274599|6.666580|4.202461|3.694849|3.410931|4.864757|5.562708|4.017700|4.937583|4.047931|7.807803|12.249761|17.790841|36.858105| |1.983811|2.328006|2.359217|2.748691|3.370856|3.291292|2.674320|5.322789|3.980431|6.666861|3.829851|3.554494|3.164980|4.266526|4.758836|3.286478|3.886655|3.242650|5.154953|8.032052|10.621048|12.608848|36.858105| |1.865782|2.181448|2.265708|2.666294|3.169546|2.957660|2.434802|4.496057|3.287613|5.706875|3.072884|2.872986|2.582771|3.487382|3.852292|2.734753|3.230893|2.856488|4.022785|6.454065|7.477110|7.527447|13.687211|36.858105| |1.738631|2.010453|2.100932|2.450207|2.830005|2.623394|2.206431|3.886849|2.928420|5.277888|2.743082|2.644451|2.363256|3.120569|3.388830|2.369402|2.719379|2.424684|3.200361|5.178754|5.591779|5.007983|7.886437|13.812279|36.858105| |1.709938|1.962146|2.025346|2.327072|2.681128|2.541260|2.162013|3.806073|2.994155|5.514370|2.857686|2.852541|2.512886|3.224583|3.453331|2.342115|2.618127|2.286208|3.013617|4.857588|5.174945|4.418531|6.802209|7.936311|13.696822|36.858105| |1.798759|2.066008|2.090705|2.380713|2.799053|2.742630|2.323561|4.267828|3.490437|6.372854|3.436537|3.519619|3.040037|3.809038|4.059741|2.659225|2.929678|2.467468|3.407011|5.425689|5.938027|5.005371|7.866805|6.889561|7.938818|13.725755|36.858105| |1.940436|2.252913|2.253398|2.578653|3.127894|3.132066|2.594678|5.116888|4.146247|7.160155|4.154653|4.107516|3.547405|4.535552|4.933337|3.209884|3.603308|2.929747|4.464337|6.962686|8.392124|7.558910|13.743951|8.006712|6.910604|7.942968|13.734267|36.858105| |1.580161|1.790970|1.857557|2.109614|2.364421|2.231898|1.939892|3.261655|2.567970|4.810136|2.454780|2.484912|2.209268|2.820384|2.983590|2.031554|2.234425|1.987707|2.494218|4.072991|4.101202|3.368332|4.595886|5.298984|8.204970|14.140772|7.866871|5.201597|73.516695| |1.523692|1.708295|1.754139|1.959970|2.177918|2.091453|1.847407|3.059193|2.462125|4.669164|2.394812|2.494754|2.215859|2.774419|2.891223|1.938209|2.084943|1.845360|2.281894|3.740798|3.660830|2.918844|3.777832|3.989559|5.261319|8.014829|6.726861|4.517215|24.194446|36.858105| |1.988418|2.132695|1.941523|1.996484|2.286063|2.619607|2.500281|4.332746|3.757238|6.037835|5.253826|7.346803|12.988714|10.724877|7.408636|3.952560|3.258319|2.637347|3.249745|5.592639|4.246513|2.880000|2.741148|2.291811|2.140236|2.299793|2.756299|3.097413|3.666876|2.105676|36.858105| |1.819390|1.928020|1.761875|1.802616|2.038834|2.311624|2.227734|3.749697|3.090664|4.962784|4.064962|4.967137|7.540341|8.741157|6.114460|3.552312|2.917423|2.445419|2.954867|5.295258|3.793090|2.637157|2.473968|2.098023|1.955235|2.073932|2.435137|2.724017|3.329835|1.902618|14.114428|36.858105| |1.627877|1.708251|1.576256|1.608550|1.792861|1.995462|1.935164|3.147602|2.580065|4.275563|3.214516|3.886940|5.087157|5.934203|4.614378|2.808218|2.401942|2.067117|2.439786|4.367644|3.201037|2.273397|2.186456|1.893232|1.796527|1.920936|2.230293|2.419276|3.139046|1.818778|8.205163|13.289268|36.858105| |1.615489|1.696784|1.572718|1.607267|1.786382|1.974769|1.912693|3.088598|2.585540|4.392866|3.179540|3.988074|4.862255|5.333770|4.336755|2.614947|2.289646|1.963799|2.311800|4.051045|3.100762|2.200910|2.170762|1.890110|1.820599|1.977984|2.308844|2.450148|3.263645|1.922638|7.680031|8.235522|14.167802|36.858105| |1.829549|1.947112|1.796298|1.845706|2.078976|2.323213|2.228956|3.696678|3.243673|5.562394|4.140965|5.792677|6.805471|6.475536|5.315683|3.031785|2.659990|2.212717|2.651114|4.501536|3.604856|2.498047|2.491393|2.134443|2.055115|2.262331|2.705135|2.885728|3.694620|2.185023|10.962473|7.459901|7.468110|11.041620|388.023441| |3.258145|4.392989|5.019555|7.589408|12.623321|7.477943|4.991782|8.688797|5.276320|9.494804|3.864369|3.175642|2.706389|3.807492|4.661281|3.604993|4.927411|4.591349|4.704894|6.595926|7.501814|4.337235|4.245932|4.109717|3.586791|3.281805|3.350003|3.768418|5.015209|2.516020|2.258991|2.017182|1.782546|1.781106|14.716544|36.858105| |17.550826|8.844890|6.733585|4.609275|3.943018|4.275153|5.858992|4.610275|3.153194|5.741430|2.697753|2.370813|2.164130|3.075331|3.515390|2.774620|2.927718|3.044030|2.398974|3.833929|3.124007|1.960420|1.873499|1.775358|1.675624|1.659058|1.737942|1.849544|2.751768|1.501953|1.889701|1.725526|1.560129|1.562074|12.589202|3.023548|0.500000| |17.579509|8.834406|5.566205|4.175529|3.936005|4.733713|7.228821|5.294110|3.532449|6.084353|3.095594|2.657997|2.471628|3.614511|4.180576|3.417525|3.468764|3.652774|2.713547|4.355673|3.404545|2.100554|1.959950|1.821708|1.694087|1.677428|1.782797|1.932894|2.750257|1.500271|2.125845|1.945982|1.732175|1.712318|13.791225|3.009310|0.301980|0.500000| |17.542133|8.838362|6.666261|4.577196|3.932667|4.289151|5.893052|4.629784|2.993177|5.198903|2.599855|2.249699|2.099921|3.065088|3.517804|2.910894|3.104445|3.464980|2.517073|4.078948|3.194449|2.001211|1.869750|1.773380|1.649563|1.609286|1.679472|1.810793|2.649939|1.431603|1.831107|1.697008|1.524764|1.504688|11.958263|3.009296|0.302218|0.301791|0.500000| |6.982751|8.901956|17.696585|8.957433|5.617483|4.961216|5.681634|4.907280|3.171070|5.818298|2.593850|2.245132|2.022023|2.874301|3.338883|2.671790|3.073477|3.315156|2.602806|4.096485|3.494443|2.195416|2.110169|2.054698|1.928703|1.859785|1.900121|2.020725|3.071104|1.636953|1.757917|1.608442|1.453554|1.452882|11.687197|4.108648|0.191345|0.140127|0.188065|0.500000| |4.099609|5.646789|8.975958|17.711883|8.938182|5.683535|5.003624|5.629212|3.570574|6.656507|2.808011|2.408400|2.123927|2.991784|3.521902|2.778533|3.420094|3.578870|3.050694|4.664601|4.335809|2.716911|2.661266|2.658995|2.476625|2.326097|2.327296|2.478270|3.788720|1.964927|1.831238|1.663904|1.498863|1.501778|12.172358|7.095863|0.108856|0.096126|0.107875|0.217558|0.500000| |6.988531|8.944300|5.685215|5.003388|5.646133|8.964738|17.706001|10.020008|6.070913|9.422145|4.898104|3.778451|3.388442|5.119732|6.557224|5.638260|5.923713|5.696212|4.023897|6.089776|4.876340|2.811991|2.554838|2.293311|2.080869|2.060475|2.242933|2.515091|3.291052|1.780013|2.726332|2.425054|2.084279|2.047213|16.994680|4.079922|0.151475|0.222032|0.152684|0.124466|0.108373|0.500000| |2.381728|2.671738|2.456971|2.595979|3.077729|3.536207|3.213064|5.999301|6.316562|11.195333|8.721997|17.824412|8.490548|7.905335|8.065808|4.173714|3.882206|2.974231|3.750482|5.805837|5.354172|3.419341|3.472531|2.856132|2.704967|3.002948|3.754435|4.176594|4.709031|2.720125|6.316155|4.382171|3.676942|3.987197|43.400066|3.073856|0.063580|0.069271|0.059189|0.060536|0.065465|0.094200|0.500000| |3.606285|4.037591|3.304193|3.266751|3.887078|5.324598|5.489552|9.312394|5.882315|7.866296|6.444007|4.716286|4.800456|8.822908|12.458191|17.564951|8.795024|7.058200|5.559437|8.920291|5.807776|3.311536|2.815748|2.413618|2.132061|2.114076|2.366951|2.770762|3.314169|1.791740|3.630328|3.291319|2.654866|2.487623|20.362959|3.362813|0.086144|0.112261|0.091355|0.078494|0.077328|0.193893|0.105931|0.500000| |2.777462|3.113471|2.735205|2.818645|3.376901|4.211417|3.939924|7.617982|4.914503|6.684637|5.824376|4.531879|4.989089|10.039200|12.607889|17.700407|8.811661|6.839491|7.340487|13.804907|6.790991|3.957791|3.158304|2.638490|2.274223|2.232017|2.518473|3.043465|3.448003|1.846476|3.836780|3.629862|2.852106|2.588502|20.601693|3.168408|0.068180|0.082855|0.072689|0.066333|0.069069|0.122630|0.100907|0.299622|0.500000| |3.086416|3.601681|3.277243|3.444716|4.109053|4.868949|4.411119|7.590703|4.146726|5.984311|3.973207|3.152473|3.133393|5.194684|6.399123|7.019830|8.927198|17.629289|7.329799|13.370632|6.852900|3.965917|3.103193|2.737009|2.314405|2.173970|2.341379|2.784822|3.366740|1.758406|2.586069|2.455802|2.073243|1.942210|15.265031|3.788758|0.073647|0.087789|0.084103|0.078769|0.084156|0.124469|0.076181|0.175534|0.206673|0.500000| |3.552062|4.521733|4.325447|4.859140|6.162202|6.920931|5.570907|9.405915|4.624038|6.853427|3.932539|3.080010|2.883360|4.504270|5.675855|5.511782|8.761987|17.597135|6.900397|10.301761|7.528554|4.150616|3.360065|3.043467|2.562811|2.368402|2.505848|2.953082|3.656643|1.885525|2.376413|2.202319|1.892994|1.816313|14.529446|5.457025|0.084108|0.096059|0.096164|0.099828|0.115363|0.139639|0.076621|0.142769|0.140161|0.301544|0.500000| |4.311254|5.239438|4.377193|4.348410|5.123093|6.825039|6.912786|9.260506|4.718460|6.845187|4.190009|3.241068|3.107730|5.027955|6.412685|6.952211|8.758321|17.621883|5.543518|8.756924|5.869134|3.329850|2.792429|2.500050|2.176222|2.077198|2.233735|2.589796|3.260715|1.721478|2.536686|2.355090|2.003985|1.909535|15.271860|4.136874|0.097252|0.123691|0.115652|0.100972|0.100094|0.197551|0.078979|0.212465|0.168322|0.300332|0.301999|0.500000| |2.687980|3.344500|3.320171|4.007969|5.637324|5.812732|4.147641|10.956945|7.253566|10.730097|5.847816|4.547525|3.811959|5.422260|6.936343|5.026130|7.247420|5.221210|9.418613|10.891635|26.158400|9.001024|7.483169|5.570493|4.314831|4.042266|4.620874|6.290852|5.688862|2.851546|3.025189|2.652332|2.263165|2.230202|18.756983|7.181214|0.068688|0.073624|0.068963|0.078364|0.101098|0.107100|0.115980|0.115256|0.122637|0.125860|0.151074|0.118554|0.500000| |2.046186|2.402499|2.426992|2.813255|3.438860|3.386731|2.762370|5.438791|3.643340|5.771127|3.509091|3.091755|2.909575|4.207752|4.762468|3.607274|4.470385|3.985966|6.730795|11.528179|12.396393|17.571592|8.888611|7.264274|4.765650|3.969353|4.177110|5.597936|5.549196|2.673436|2.508727|2.343648|2.046582|1.973129|15.620934|4.196930|0.052662|0.056131|0.054554|0.060209|0.075211|0.073293|0.079978|0.084581|0.100708|0.111072|0.117707|0.090598|0.193382|0.500000| |1.990193|2.299641|2.253467|2.536911|3.094596|3.230025|2.694064|5.506600|3.949432|6.092621|4.176725|3.794091|3.667382|5.275267|5.773289|4.074933|4.631534|3.782335|7.271610|13.173325|12.566361|17.616252|8.850916|5.793300|4.263909|3.961413|4.623986|6.834278|5.515504|2.764185|3.137820|2.920378|2.491583|2.375003|18.913156|3.557145|0.051356|0.055654|0.052499|0.055853|0.066555|0.073860|0.095953|0.092106|0.116024|0.106614|0.103425|0.087547|0.183573|0.304121|0.500000| |1.854788|2.169007|2.274524|2.688246|3.158319|2.901224|2.396838|4.315206|3.038392|5.215331|2.817573|2.593425|2.370074|3.264335|3.617564|2.647791|3.169212|2.908716|3.950418|6.472955|7.052826|6.970962|8.902867|17.699999|8.979865|5.653746|4.959321|5.670964|7.623456|3.335799|2.107370|1.953809|1.764095|1.746653|13.850496|4.112745|0.048818|0.050042|0.049439|0.057551|0.075271|0.062320|0.070688|0.065296|0.071685|0.078145|0.087932|0.070289|0.142193|0.222394|0.148833|0.500000| |1.648416|1.893953|2.000649|2.327647|2.623040|2.398302|2.044365|3.463309|2.574510|4.667738|2.400255|2.312633|2.088555|2.773717|2.998335|2.125246|2.428129|2.220479|2.797166|4.588637|4.705163|4.077077|5.613991|8.889583|17.737126|8.960467|5.660889|4.973171|13.492359|4.873268|1.910128|1.761326|1.632463|1.654104|13.128437|3.293577|0.044323|0.044384|0.043716|0.051589|0.066437|0.053357|0.065683|0.053791|0.056896|0.059076|0.065701|0.055869|0.100530|0.113026|0.098421|0.215255|0.500000| |1.746076|1.983124|1.989013|2.229025|2.586670|2.574227|2.223693|3.991165|3.356493|6.237807|3.389487|3.635626|3.124086|3.797649|3.962138|2.541979|2.720752|2.288773|3.067962|4.928480|5.111330|4.099701|5.633951|4.964569|5.633784|8.862486|17.763934|8.957347|12.470623|7.447122|2.896435|2.530716|2.350605|2.483788|20.969795|2.990863|0.047157|0.048346|0.045113|0.050432|0.060262|0.060247|0.111882|0.063492|0.066714|0.060362|0.063767|0.058368|0.110298|0.096324|0.109631|0.107698|0.124149|0.500000| |1.992767|2.300106|2.252810|2.534222|3.086416|3.217081|2.692153|5.462262|4.620755|7.734585|4.991761|5.132622|4.385247|5.446046|5.835327|3.602277|3.893634|3.051944|4.805602|7.489087|8.603978|7.012662|8.927438|5.670085|4.970109|5.658723|8.962706|17.698710|7.461083|3.918681|3.751622|3.216608|2.796083|2.827969|24.284155|3.554795|0.052584|0.055799|0.051375|0.055864|0.066522|0.073902|0.143165|0.084957|0.094539|0.080784|0.083081|0.075139|0.173256|0.140999|0.197098|0.124315|0.107844|0.218051|0.500000| |1.432854|1.594793|1.645586|1.828090|1.998754|1.908965|1.704685|2.750055|2.188919|4.154220|2.121480|2.200025|1.975516|2.490660|2.587898|1.753001|1.879545|1.688047|2.035107|3.361429|3.210464|2.539222|3.174547|3.415323|4.418775|5.883542|4.904216|3.620106|17.003603|17.646761|1.891856|1.725638|1.663380|1.757874|14.021080|2.286671|0.039418|0.039091|0.037541|0.043027|0.051309|0.045579|0.066255|0.045406|0.046533|0.044784|0.048038|0.044027|0.069220|0.065849|0.066982|0.082264|0.121379|0.145708|0.089130|0.500000| |1.467967|1.635873|1.662547|1.841269|2.051924|2.001976|1.778632|2.967358|2.396762|4.474481|2.391354|2.534032|2.283891|2.838352|2.912530|1.935771|2.053013|1.809020|2.265469|3.757968|3.602412|2.912017|3.725244|3.793245|4.760420|7.029741|6.728158|4.578294|16.436402|17.560786|2.204875|2.002149|1.928428|2.044539|16.390514|2.339700|0.040071|0.040415|0.038359|0.043057|0.050863|0.048059|0.076699|0.049511|0.051619|0.048263|0.050893|0.046817|0.076500|0.073559|0.078530|0.088208|0.119857|0.224124|0.113235|0.300024|0.500000| |1.619127|1.820647|1.865549|2.084304|2.323130|2.237027|1.974215|3.268888|2.685124|5.211324|2.589497|2.719423|2.363303|2.924053|3.064167|2.032791|2.184228|1.914547|2.353008|3.805893|3.774789|2.916713|3.731420|3.801004|4.770295|7.042685|6.734663|4.583346|16.437350|17.561954|2.229274|1.983893|1.890630|2.017901|16.641847|2.667668|0.044502|0.044295|0.041957|0.048195|0.057763|0.052802|0.084119|0.052377|0.053199|0.050217|0.054166|0.049850|0.083180|0.073245|0.076323|0.088372|0.120077|0.223725|0.113302|0.299983|0.298890|0.500000| |1.836475|1.944562|1.771894|1.810176|2.049248|2.333700|2.252779|3.800541|3.037766|4.781819|3.961847|4.502318|6.718618|9.324720|6.355317|3.827550|3.063092|2.591196|3.119791|5.755056|3.891263|2.702322|2.467559|2.091783|1.924612|2.009398|2.334897|2.649767|3.209544|1.810339|8.940944|17.762081|8.577328|5.729503|37.734865|2.021219|0.047978|0.054681|0.047899|0.044893|0.046332|0.068389|0.107300|0.097700|0.113341|0.073617|0.064106|0.069066|0.074262|0.067296|0.084127|0.054673|0.048273|0.066203|0.086092|0.045724|0.052693|0.052054|0.500000| |1.516755|1.581655|1.464792|1.491007|1.649104|1.822234|1.775057|2.840010|2.281998|3.788958|2.770145|3.219174|4.054925|5.025732|4.020364|2.535720|2.186967|1.919056|2.231110|4.050763|2.915649|2.093202|2.006330|1.757350|1.669522|1.771664|2.028156|2.188322|2.912292|1.682467|5.719111|8.595970|17.745965|8.919991|37.739558|1.640699|0.040393|0.044762|0.039745|0.037723|0.038759|0.052932|0.084797|0.067023|0.072614|0.053961|0.048987|0.051775|0.057004|0.053019|0.063806|0.045836|0.042437|0.058971|0.069098|0.043046|0.049581|0.048193|0.201170|0.500000| |1.502297|1.569500|1.464083|1.494009|1.645289|1.798946|1.748359|2.769043|2.300060|3.968586|2.741362|3.351707|3.860743|4.379436|3.696962|2.284887|2.037557|1.772731|2.058097|3.606345|2.783610|1.993688|1.989660|1.757764|1.712215|1.866216|2.153255|2.241042|3.120854|1.855743|5.404906|5.684425|8.762119|17.790424|55.381626|1.644318|0.040604|0.044055|0.038982|0.037809|0.039009|0.051631|0.095347|0.060870|0.062779|0.048676|0.045939|0.048037|0.055920|0.050082|0.059300|0.045204|0.043516|0.064735|0.070596|0.047513|0.054972|0.053994|0.122432|0.203577|0.500000| |2.991781|3.907555|4.296919|5.933080|8.806305|6.514679|4.499377|8.480539|4.904313|8.204229|3.800173|3.107624|2.714811|3.894236|4.766541|3.790447|5.413665|5.186026|5.585124|7.739641|9.109923|5.183599|4.755155|4.585535|3.769408|3.326170|3.387616|3.950977|4.985152|2.464843|2.267418|2.047951|1.799944|1.779033|14.536199|17.563170|0.076076|0.077971|0.078386|0.100041|0.155964|0.106002|0.081984|0.095654|0.094623|0.120348|0.181310|0.122249|0.232248|0.145177|0.113732|0.132847|0.095554|0.082441|0.102656|0.062057|0.064395|0.071258|0.057625|0.046207|0.045486|0.500000| |3.020821|3.948455|4.294907|5.875406|8.864162|6.702225|4.595464|8.857977|6.083978|11.680759|4.326822|3.589157|2.954675|4.049567|4.955649|3.634805|4.808111|4.128932|4.737012|6.551482|8.087980|4.671978|4.872725|4.581155|4.059068|3.825575|3.994013|4.491173|5.732228|2.876317|2.448002|2.150671|1.899175|1.915819|16.098171|17.568103|0.079146|0.079095|0.076376|0.099641|0.152512|0.108620|0.098463|0.092749|0.087983|0.096617|0.127618|0.103506|0.234816|0.119014|0.105669|0.120295|0.100406|0.098424|0.116624|0.071396|0.073712|0.086243|0.059185|0.048173|0.049041|0.300400|0.500000| 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