Version2.0 2020-07-20T00:36:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 18-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1CCC[C@@H](N1S(=O)(=O)c2ccc(cc2)NC(=S)Nc3ccc(cc3)C(=O)NC4CCCCC4)C C39974484 RHF 6-31G(d) (6D,7F) C[C@@H]1CCC[C@@H](N1S(=O)(=O)c2ccc(cc2)NC(=S)Nc3ccc(cc3)C(=O)NC4CCCCC4)C C01[X(C27H36N4O3S2)] 210 C1 620 S=C(Nc1ccc(cc1)S(=O)(=O)N1[C@H](C)CCC[C@@H]1C)Nc1ccc(cc1)C(=O)NC1CCCCC1 S=C(Nc1ccc(cc1)S(=O)(=O)N1[C@H](C)CCC[C@@H]1C)Nc1ccc(cc1)C(=O)NC1CCCCC1 C[C@@H]1CCC[C@H](C)N1[S](=O)(=O)c2ccc(NC(=S)Nc3ccc(cc3)C(=O)NC4CCCCC4)cc2 InChIKey=DVVDUTIMXWJHOH-BGYRXZFFSA-N InChI=1S/C27H36N4O3S2/c1-19-7-6-8-20(2)31(19)36(33,34)25-17-15-24(16-18-25)30-27(35)29-23-13-11-21(12-14-23)26(32)28-22-9-4-3-5-10-22/h11-20,22H,3-10H2,1-2H3,(H,28,32)(H2,29,30,35)/t19-,20+ InChI=1/C27H36N4O3S2/c1-19-7-6-8-20(2)31(19)36(33,34)25-17-15-24(16-18-25)30-27(35)29-23-13-11-21(12-14-23)26(32)28-22-9-4-3-5-10-22/h11-20,22H,3-10H2,1-2H3,(H,28,32)(H2,29,30,35)/t19-,20+/f/h28-30H C[C@@H]1CCC[C@@H](N1S(=O)(=O)c2ccc(cc2)NC(=S)Nc3ccc(cc3)C(=O)NC4CCCCC4)C C01[X(C27H36N4O3S2)] 210 C01 620 S=C(Nc1ccc(cc1)S(=O)(=O)N1[C@H](C)CCC[C@@H]1C)Nc1ccc(cc1)C(=O)NC1CCCCC1 S[C](N[C]1[CH][CH][C]([CH][CH]1)[S@@]([O])(=O)N1[C@H](C)CCC[C@@H]1C)N[C]1[CH][CH][C]([CH][CH]1)C(=O)NC1CCCCC1 C[C@@H]1CCC[C@H](C)N1[S]([O])(=O)[C]2[CH][CH][C]([CH][CH]2)N[C](S)N[C]3[CH][CH][C]([CH][CH]3)C(=O)NC4CCCCC4 InChIKey=ZAZFKXVDXBKUBH-BGYRXZFFSA-N InChI=1S/C27H37N4O3S2/c1-19-7-6-8-20(2)31(19)36(33,34)25-17-15-24(16-18-25)30-27(35)29-23-13-11-21(12-14-23)26(32)28-22-9-4-3-5-10-22/h11-20,22,29-30,35H,3-10H2,1-2H3,(H,28,32)/t19-,20+ InChI=1/C27H37N4O3S2/c1-19-7-6-8-20(2)31(19)36(33,34)25-17-15-24(16-18-25)30-27(35)29-23-13-11-21(12-14-23)26(32)28-22-9-4-3-5-10-22/h11-20,22,29-30,35H,3-10H2,1-2H3,(H,28,32)/t19-,20+/f/h28H 3985.1362145041 -2280.7758147 1-A 49417.8308 141 479 620 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.20220 -91.87942 -20.54452 -20.54251 -20.52229 -15.63167 -15.62871 -15.59340 -15.58146 -11.39346 -11.34957 -11.30757 -11.29757 -11.27687 -11.27551 -11.27109 -11.26177 -11.26159 -11.26075 -11.25566 -11.25356 -11.25140 -11.25128 -11.24938 -11.24749 -11.24733 -11.22388 -11.22236 -11.22101 -11.21989 -11.21891 -11.21769 -11.21745 -11.21660 -11.21430 -11.21014 -9.17341 -8.89105 -6.85988 -6.85940 -6.85829 -6.57458 -6.57142 -6.57048 -1.47046 -1.39053 -1.34991 -1.34329 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1000.31 1022.17 1043.62 1066.56 1074.24 1142.29 1151.90 1184.77 1224.47 1240.40 1245.87 1272.57 1281.25 1299.71 1312.22 1341.84 1350.57 1365.19 1369.26 1373.17 1374.43 1391.78 1403.64 1440.51 1456.35 1475.82 1503.81 1507.50 1517.35 1528.97 1542.23 1571.82 1580.68 1594.37 1596.01 1602.41 1603.08 1606.87 1611.17 1648.40 1654.41 1688.33 1706.66 1722.53 1725.11 1732.13 1732.94 1753.37 1772.01 1785.35 1815.69 1817.44 1846.08 1854.45 1858.34 1869.40 1874.40 1879.69 1895.59 1898.58 1900.28 1904.73 1967.02 1977.99 1988.52 2003.40 2017.91 2019.07 2028.57 2044.05 2072.72 2077.41 2091.52 2104.94 2108.02 2109.84 2118.48 2132.87 2165.20 2177.01 2188.47 2192.52 2196.89 2204.21 2216.36 2231.57 2237.82 2242.52 2250.86 2252.39 2261.05 2303.07 2345.15 2352.31 2353.13 2353.21 2357.90 2360.63 2363.21 2364.05 2372.64 2379.34 2386.47 2389.60 2417.10 2419.26 2444.44 2467.32 2485.31 2559.54 2573.94 2603.85 2622.18 2782.78 4558.76 4575.10 4576.16 4583.33 4589.89 4593.01 4612.74 4618.44 4620.57 4629.75 4638.17 4652.42 4652.72 4654.58 4660.49 4660.62 4663.51 4684.33 4690.24 4712.96 4719.20 4721.58 4731.55 4789.43 4836.21 4852.19 4853.51 4864.26 4908.35 4912.45 4915.14 4924.61 4939.74 5511.32 5529.19 5573.58 0.652373 0.685041 0.685985 0.582158 -2280.123441 -2280.090774 -2280.089829 -2280.193657 3.482408D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE C[C@@H]1CCC[C@@H](N1S(=O)(=O)c2ccc(cc2)NC(=S)Nc3ccc(cc3)C(=O)NC4CCCCC4)C C39974484 RHF 6-31G(d) (6D,10F) C1 528.222885 |X|Y|Z| 49.630024 31.723382 214.355590 69.623031 30 6 7 16 25 4 1 |36.858105| |12.473773|36.858105| |9.092940|17.568227|0.500000| |7.442674|12.449528|0.248884|36.858105| |4.895620|7.566027|0.199339|12.429238|36.858105| |4.310290|6.521765|0.171551|7.478984|12.423856|36.858105| |4.959992|7.807528|0.214506|6.500459|7.505645|12.421774|36.858105| |4.931967|7.578982|0.256832|6.006620|6.972648|8.918029|17.565678|0.500000| |7.380773|12.725078|0.261943|7.685921|6.513849|7.655475|12.751698|0.260265|53.358707| |5.812952|6.968591|0.148938|5.626622|4.769658|5.611573|7.048055|0.149578|15.728043|388.023441| |6.848659|6.614968|0.136557|5.521300|4.226758|4.383314|4.966920|0.116969|10.400040|94.728552|73.516695| |4.251555|5.202214|0.118924|4.984253|4.724967|6.055064|6.487365|0.132806|10.192139|94.387010|13.773874|73.516695| |4.463584|4.807923|0.117275|3.834210|3.478913|4.102494|5.403327|0.126597|9.584876|76.296858|13.020086|13.125955|36.858105| |4.599772|4.604555|0.118121|3.505987|3.143550|3.535891|4.701483|0.120609|8.266694|49.130546|10.445239|8.780428|13.716731|36.858105| |3.520749|3.481395|0.092624|2.802181|2.587808|2.891322|3.667050|0.096954|5.820036|33.539939|7.515522|6.813258|7.944913|13.819131|36.858105| |2.922114|2.958764|0.078308|2.497402|2.360821|2.679977|3.279225|0.084978|4.950208|29.860290|6.604661|6.599356|6.894957|7.958657|13.702049|36.858105| |2.887970|3.011143|0.078061|2.608347|2.492665|2.900985|3.489148|0.086936|5.193350|33.728622|7.138264|7.951478|7.972331|6.888203|7.927163|13.768739|36.858105| |3.400272|3.656458|0.091705|3.150223|2.982448|3.562637|4.356276|0.103042|6.725937|49.744480|9.481314|11.768631|13.790814|7.923183|6.852469|7.929310|13.743430|36.858105| |2.434230|2.446443|0.065880|2.113186|2.022608|2.264195|2.689189|0.071233|3.928360|22.754162|5.193592|5.216167|4.558464|5.143919|7.766963|13.427051|7.925353|5.174026|53.358707| |2.248582|2.204790|0.059542|1.918270|1.820137|1.992247|2.322082|0.062296|3.420386|19.577004|4.652285|4.467496|3.681824|4.224889|5.988423|7.624378|5.351137|3.971143|19.117214|36.858105| |2.378370|2.249426|0.060287|1.945583|1.805358|1.932868|2.238079|0.060295|3.398763|19.528299|4.857384|4.339956|3.564158|4.226831|5.695152|5.978727|4.446509|3.622465|9.682232|11.404615|388.023441| |1.950014|1.928652|0.052534|1.706038|1.639735|1.791051|2.054318|0.055481|2.956380|16.638830|3.947519|3.888932|2.988395|3.307538|4.317739|5.259112|4.198216|3.246684|11.548414|14.102202|50.747908|53.358707| |1.755825|1.719450|0.046954|1.536220|1.474034|1.588402|1.794737|0.048787|2.581363|14.401105|3.480648|3.377730|2.487309|2.733807|3.392147|3.851029|3.240517|2.648019|7.154946|7.653321|42.892657|18.208468|36.858105| |1.595684|1.568464|0.042669|1.420989|1.369012|1.473314|1.640697|0.044381|2.345329|13.174565|3.196249|3.141750|2.228648|2.378445|2.845081|3.256307|2.900754|2.406692|5.726181|5.417835|32.486875|10.729935|13.752371|36.858105| |1.456646|1.425313|0.038884|1.300059|1.252617|1.336056|1.474342|0.040082|2.103441|11.712738|2.867788|2.797594|1.935508|2.061125|2.404612|2.659713|2.405351|2.058586|4.429191|4.008210|26.353558|7.030845|7.944437|13.775469|36.858105| |1.441193|1.400341|0.038396|1.273315|1.223309|1.295351|1.431279|0.039209|2.046899|11.264928|2.774324|2.666527|1.847314|1.995145|2.319193|2.486248|2.216913|1.926316|4.060900|3.686855|25.599592|6.174244|6.859880|7.927989|13.731024|36.858105| |1.557067|1.505885|0.041463|1.355233|1.297499|1.372680|1.531617|0.042190|2.200295|12.014643|2.956660|2.808893|1.989125|2.194161|2.592319|2.727556|2.361503|2.046110|4.497144|4.216441|29.917480|7.001309|7.965075|6.894539|7.952652|13.699509|36.858105| |1.728776|1.676555|0.046123|1.492887|1.427544|1.522262|1.720093|0.047284|2.480105|13.594057|3.316133|3.154868|2.308833|2.586441|3.167059|3.378052|2.821017|2.383922|5.866510|5.946523|39.748308|10.601836|13.755352|7.936205|6.870670|7.904567|13.781960|36.858105| |1.306427|1.267874|0.034812|1.162211|1.118218|1.176443|1.287822|0.035361|1.835727|10.051975|2.489156|2.390723|1.617357|1.732186|1.969074|2.081747|1.891203|1.676455|3.288200|2.862555|20.336360|4.547846|4.451288|5.067864|7.696372|12.669358|7.484147|5.001710|36.858105| |1.224946|1.195300|0.032806|1.102704|1.065791|1.122670|1.221827|0.033491|1.731564|9.489495|2.343500|2.275938|1.516713|1.606284|1.809531|1.926295|1.777523|1.582025|3.021988|2.567447|17.873442|4.074408|3.824649|4.545141|6.751170|8.075278|5.315206|4.020098|15.834147|73.516695| |1.292871|1.245778|0.034267|1.141312|1.093850|1.142825|1.249582|0.034449|1.788094|9.735465|2.428385|2.302110|1.553509|1.674115|1.887858|1.957192|1.772309|1.590087|3.033160|2.626277|19.367477|4.015370|3.770828|3.975484|5.245416|7.853722|6.533496|4.450928|14.077013|15.066576|53.358707| |1.186211|1.143096|0.031465|1.054415|1.012102|1.052503|1.142361|0.031529|1.629974|8.846027|2.213618|2.100759|1.392645|1.489568|1.654335|1.704993|1.564384|1.421368|2.593583|2.190288|16.165713|3.280883|2.934604|3.104124|3.897762|5.010894|4.367443|3.323679|7.742146|12.113959|17.810594|36.858105| |1.170994|1.124297|0.031070|1.036206|0.993489|1.027761|1.115277|0.030941|1.591818|8.566165|2.149237|2.025400|1.339782|1.440960|1.590396|1.614483|1.476372|1.353194|2.427042|2.031931|15.172128|2.988203|2.603830|2.644816|3.140549|3.954050|3.812424|3.008673|5.167990|8.079346|10.625803|12.449437|36.858105| |1.076176|1.034469|0.028593|0.959557|0.921673|0.950221|1.024382|0.028426|1.457903|7.831494|1.968570|1.859958|1.212145|1.294113|1.412188|1.431270|1.323105|1.223414|2.126203|1.750610|13.016670|2.548723|2.165664|2.216958|2.579307|3.065707|2.928969|2.426549|3.854015|6.519043|6.815870|7.529284|12.436426|36.858105| |1.054068|1.011004|0.027829|0.941277|0.902044|0.928426|0.996987|0.027570|1.422969|7.687943|1.942063|1.830007|1.184959|1.257919|1.365688|1.387790|1.292118|1.198545|2.049120|1.683589|12.621584|2.430931|2.052658|2.128763|2.470135|2.851104|2.670955|2.251417|3.543557|6.118319|6.021495|6.429117|7.517454|12.441649|36.858105| |1.065332|1.024800|0.028117|0.955029|0.916059|0.946707|1.016382|0.027989|1.450315|7.889953|1.989585|1.885391|1.221342|1.290185|1.405915|1.444423|1.350235|1.245436|2.147072|1.771040|13.181466|2.581823|2.204453|2.348404|2.793150|3.182279|2.843857|2.375837|4.125087|7.417270|6.769802|7.524505|6.444972|7.540623|12.443360|36.858105| |1.157208|1.112019|0.030465|1.030602|0.986532|1.023367|1.105027|0.030380|1.582075|8.643547|2.176920|2.058493|1.352331|1.435670|1.581576|1.633502|1.514397|1.383241|2.458241|2.064142|15.437262|3.041799|2.671885|2.876493|3.551198|4.213199|3.629997|2.913540|5.880837|10.007887|10.453301|12.427477|7.540168|6.450919|7.527338|12.438372|36.858105| |3.748436|4.967389|0.137492|4.324784|4.875140|7.462679|12.476785|0.251870|10.153865|42.929295|7.467058|10.990929|5.733648|4.831950|3.971434|3.724534|4.086408|5.065829|4.139878|2.540416|16.749129|3.074206|1.938926|1.771155|1.574795|1.515128|1.617975|1.832915|1.353732|2.289095|1.771961|1.184539|1.149583|1.052538|1.021850|1.046366|1.141580|36.858105| |17.687797|8.708002|0.175344|6.849520|4.474344|3.967426|4.330166|0.114182|8.527426|41.981962|14.680141|7.788366|4.369411|4.318836|3.350634|2.848602|2.865151|3.401128|3.232923|2.208603|16.790518|2.604645|1.730417|1.584347|1.448262|1.427765|1.532940|1.695136|1.296899|2.164852|1.746492|1.179338|1.160886|1.068771|1.052132|1.066017|1.157519|3.407318|0.500000| |17.578467|8.777042|0.211207|5.450019|4.067990|3.839060|4.681500|0.131393|9.412862|40.473036|11.578794|7.183032|4.920697|5.557022|4.155935|3.289760|3.144013|3.634464|3.690084|2.510925|19.154716|2.920698|1.921628|1.725502|1.568042|1.557043|1.697960|1.901296|1.402193|2.323635|1.890985|1.267197|1.251856|1.143987|1.117340|1.128441|1.231730|3.744361|0.301865|0.500000| |17.538539|8.978130|0.230281|6.679619|4.595367|3.847745|4.232144|0.122504|7.527199|31.306761|8.855646|6.194742|3.583397|3.745267|3.025569|2.548651|2.497157|2.858477|2.966861|2.040806|15.379351|2.441579|1.633938|1.489265|1.370947|1.364746|1.474471|1.623318|1.245555|2.077833|1.686173|1.142302|1.133889|1.045921|1.023699|1.030068|1.113915|3.261917|0.300956|0.302140|0.500000| |6.633417|8.868132|0.175051|17.538696|8.769539|6.590113|5.637802|0.135887|9.449888|43.927296|11.523287|10.139266|3.955304|3.481941|2.782664|2.520525|2.684108|3.296888|2.889989|1.928274|13.957965|2.328668|1.540878|1.433187|1.309875|1.277011|1.352386|1.488144|1.165684|1.969012|1.555292|1.055977|1.034066|0.958164|0.943447|0.960167|1.036681|4.058603|0.197003|0.139203|0.157799|0.500000| |7.033000|8.858017|0.211188|17.529703|8.829318|5.478586|4.891546|0.134488|7.586942|31.176756|8.115757|6.966614|3.233537|3.061797|2.513768|2.240936|2.306089|2.709254|2.625388|1.776545|12.939851|2.164279|1.446264|1.340443|1.234908|1.215720|1.293867|1.415830|1.115630|1.881724|1.498167|1.020944|1.007403|0.935696|0.918502|0.928886|0.999016|3.524866|0.181821|0.141228|0.204428|0.303086|0.500000| |4.047302|5.505115|0.143598|8.806119|17.546803|8.823437|5.487192|0.141023|6.689394|28.788045|6.607839|7.520680|3.028579|2.724362|2.293748|2.130855|2.266677|2.683477|2.516647|1.675225|11.819365|2.070479|1.376376|1.288146|1.183672|1.154335|1.217410|1.331332|1.060132|1.802519|1.411476|0.963243|0.944998|0.879881|0.863238|0.877218|0.941760|4.050724|0.107793|0.094690|0.107976|0.214654|0.209127|0.500000| |4.595078|6.753685|0.209572|8.882176|17.491813|8.853368|6.654749|0.201401|7.610661|28.546859|6.419053|6.861237|3.141520|2.948752|2.469901|2.236917|2.316980|2.702808|2.641105|1.756277|12.382085|2.165849|1.436199|1.330381|1.221523|1.198868|1.275539|1.400551|1.098179|1.859721|1.465877|0.997824|0.983221|0.912846|0.890896|0.901863|0.969597|4.512765|0.112222|0.108485|0.126518|0.173593|0.219305|0.303714|0.500000| |3.988982|5.595925|0.137678|6.575067|8.802894|17.592115|8.877691|0.174802|9.320765|43.302286|8.311203|13.712780|4.254731|3.492955|2.865337|2.718351|3.032187|3.818499|3.111577|2.005005|13.807457|2.451419|1.595124|1.489223|1.347707|1.298758|1.368375|1.516485|1.179190|2.005042|1.554469|1.051908|1.022963|0.946326|0.927635|0.949220|1.026668|6.781632|0.107186|0.099233|0.097365|0.187214|0.136029|0.216777|0.173831|0.500000| |3.535339|4.929322|0.138874|5.484645|8.837364|17.522994|8.873302|0.214149|7.584774|31.095136|6.271535|8.523527|3.513352|3.101315|2.628420|2.474754|2.667271|3.174080|2.903520|1.879949|12.829315|2.329805|1.522757|1.417355|1.288770|1.249409|1.320958|1.460189|1.137841|1.936544|1.502457|1.018773|0.995262|0.921963|0.899257|0.916638|0.988604|6.968378|0.090546|0.089802|0.090653|0.135955|0.123699|0.208900|0.219658|0.302794|0.500000| |5.729897|5.424125|0.140826|3.857531|3.347160|3.624214|4.870669|0.130628|9.120184|46.710412|10.710805|8.045272|8.903763|17.762870|8.965720|5.660579|4.963477|5.643986|5.670444|3.637235|26.972405|3.992541|2.498743|2.178759|1.920587|1.885809|2.084425|2.424437|1.653869|2.721779|2.198687|1.445539|1.411367|1.271291|1.234258|1.257215|1.392328|4.592558|0.141444|0.212570|0.126648|0.103540|0.094488|0.079290|0.088476|0.096531|0.087430|0.500000| |3.334428|3.211736|0.087540|2.589939|2.390559|2.610476|3.260099|0.089152|5.093549|27.715990|6.472054|5.710046|5.651246|8.940532|17.789112|8.913770|5.648890|4.946918|9.654995|6.260525|45.223017|6.146962|3.610344|2.937603|2.500628|2.461893|2.823953|3.500637|2.078540|3.357527|2.735377|1.749391|1.693719|1.493141|1.434605|1.468381|1.657987|3.447460|0.087138|0.111084|0.081662|0.070565|0.065793|0.059055|0.064448|0.070853|0.066663|0.215889|0.500000| |2.503868|2.614181|0.068193|2.331107|2.259707|2.620455|3.040789|0.076205|4.384351|27.891126|6.056063|6.975582|5.662831|4.959986|5.641203|8.927574|17.716945|8.922782|9.936201|5.131837|29.126861|5.828814|3.307314|3.050525|2.503252|2.259082|2.361170|2.799900|1.925664|3.246757|2.427828|1.575135|1.473302|1.322373|1.294576|1.362384|1.529260|3.575435|0.069527|0.074438|0.061146|0.066947|0.057773|0.057970|0.058468|0.076793|0.068056|0.107703|0.124224|0.500000| |3.163280|3.471049|0.086303|3.136384|3.024723|3.671326|4.243799|0.098088|6.286765|47.656997|9.068338|13.777719|8.939443|5.644135|4.945271|5.642506|8.900422|17.767750|5.709319|3.359202|21.922866|3.891898|2.385787|2.218219|1.917510|1.786273|1.872470|2.146937|1.570773|2.657132|2.025508|1.340217|1.274115|1.159189|1.139846|1.186702|1.310974|4.952731|0.089345|0.090697|0.074608|0.093189|0.074543|0.076978|0.074901|0.114126|0.091166|0.124219|0.107488|0.214667|0.500000| |2.245753|2.297502|0.062209|2.013925|1.959718|2.215396|2.605744|0.068933|3.698145|21.223217|4.768769|5.021747|4.111133|4.384955|5.957068|9.349375|7.310810|4.839802|26.018389|9.460184|38.078617|11.040698|5.061775|4.227846|3.246192|2.919119|3.162744|4.046449|2.374989|3.935288|2.944503|1.858332|1.730530|1.522558|1.464893|1.540456|1.756876|3.018717|0.060788|0.068397|0.056229|0.056160|0.051021|0.050025|0.052298|0.062311|0.058690|0.100607|0.150969|0.211956|0.113627|0.500000| |1.881932|1.889089|0.051610|1.681582|1.634515|1.801580|2.061817|0.055580|2.917751|16.360646|3.821049|3.885194|2.926876|3.163248|4.042677|5.060504|4.228392|3.245132|11.015902|9.444922|38.052025|26.012897|9.291668|7.043450|4.753518|4.076756|4.417765|6.073868|3.101605|5.080256|3.692456|2.254837|2.053529|1.771022|1.687171|1.794208|2.089707|2.305592|0.051160|0.057044|0.048118|0.046792|0.043397|0.042194|0.044075|0.050395|0.048172|0.077540|0.113958|0.124018|0.080348|0.261779|0.500000| |1.589713|1.573734|0.042618|1.433392|1.385762|1.500318|1.664245|0.044686|2.370237|13.458465|3.247177|3.247308|2.280773|2.385928|2.831453|3.337256|3.066086|2.516952|5.855737|5.225271|30.146769|9.888997|8.928897|17.717657|8.915948|5.639943|4.963312|5.648813|4.131192|6.973224|4.532376|2.719629|2.336115|2.005113|1.948587|2.155894|2.584475|1.810164|0.044010|0.047479|0.041049|0.040342|0.037414|0.036310|0.037239|0.042394|0.040121|0.060053|0.079132|0.092291|0.065062|0.124135|0.199300|0.500000| |1.365430|1.339674|0.036490|1.231613|1.189909|1.267844|1.387723|0.037644|1.972288|11.005571|2.698444|2.651923|1.797115|1.888031|2.166381|2.397860|2.219689|1.920336|3.900074|3.390240|22.451988|5.696132|5.646475|8.908063|17.757211|8.957130|5.662142|4.954085|7.221167|13.374443|6.633686|3.851013|3.029237|2.549885|2.483467|2.881326|3.634917|1.480930|0.037840|0.040556|0.035763|0.034561|0.032539|0.031374|0.032196|0.035638|0.034047|0.048946|0.061815|0.064787|0.050272|0.080328|0.111251|0.214230|0.500000| |1.522774|1.466032|0.040549|1.319339|1.261753|1.326282|1.477360|0.040948|2.122222|11.470963|2.835389|2.671499|1.877194|2.081585|2.427674|2.491691|2.162208|1.904621|3.991275|3.625811|26.637596|5.683012|5.671769|4.964673|5.646057|8.880436|17.730013|8.984071|6.861413|8.682286|9.717748|4.752448|4.395172|3.249273|2.873731|2.968838|3.766182|1.548476|0.041528|0.046152|0.040321|0.036439|0.035161|0.032888|0.034603|0.036567|0.035487|0.055692|0.074204|0.059438|0.048490|0.077637|0.101897|0.107724|0.124280|0.500000| |1.846508|1.783393|0.049337|1.571667|1.498546|1.595168|1.819694|0.050377|2.633670|14.270196|3.476653|3.270300|2.437763|2.798913|3.476662|3.576734|2.902482|2.468791|6.123765|6.144117|42.710094|9.711564|8.935159|5.652195|4.954814|5.630857|8.914629|17.767404|4.071084|5.968790|5.240435|2.992823|2.821766|2.299952|2.122541|2.193509|2.631819|1.931848|0.049903|0.056954|0.048204|0.043262|0.041423|0.038607|0.040999|0.043848|0.042426|0.073584|0.110941|0.078122|0.061058|0.114180|0.156097|0.124365|0.107613|0.216427|0.500000| |1.364580|1.306722|0.035923|1.191625|1.136545|1.184858|1.300205|0.035878|1.871968|10.192690|2.553821|2.393414|1.631297|1.772970|2.006936|2.061810|1.848651|1.658900|3.187699|2.798670|21.283757|4.207191|3.957097|3.989370|5.002567|7.496588|7.260162|4.876800|9.439751|10.927466|26.061571|9.054443|7.219177|4.649270|4.171631|4.456147|6.556904|1.349243|0.037618|0.040921|0.036310|0.033124|0.031943|0.029861|0.031083|0.032847|0.031687|0.047670|0.059872|0.051268|0.042889|0.062307|0.077402|0.091965|0.123681|0.237893|0.119074|0.500000| |1.136221|1.101153|0.030354|1.018635|0.982312|1.023788|1.108889|0.030608|1.573181|8.523689|2.122519|2.034455|1.339837|1.425885|1.580776|1.637873|1.511464|1.373054|2.496292|2.085523|15.061528|3.156273|2.802868|3.012076|3.802824|4.719643|4.009089|3.111353|7.403675|13.639753|12.697468|17.607864|8.893218|6.823347|5.688357|6.833421|8.903891|1.154136|0.031338|0.033617|0.030401|0.028321|0.027376|0.026005|0.026920|0.028430|0.027615|0.038360|0.046215|0.042483|0.036089|0.050186|0.061170|0.074125|0.107309|0.118152|0.077641|0.181290|0.500000| |1.180229|1.136366|0.031523|1.044977|1.004569|1.040645|1.132200|0.031509|1.610422|8.618653|2.152302|2.035847|1.350953|1.458377|1.614443|1.634849|1.488071|1.362005|2.467031|2.060596|15.206457|3.050410|2.654634|2.654628|3.120356|3.974941|3.967058|3.120651|5.025622|7.812165|9.726776|8.853744|17.543903|8.795397|5.479482|4.837307|5.500189|1.169628|0.032360|0.035099|0.031775|0.028875|0.028208|0.026500|0.027686|0.028693|0.028048|0.039728|0.047987|0.041169|0.035545|0.049008|0.058483|0.064779|0.082370|0.131421|0.082197|0.184403|0.215701|0.500000| |1.222786|1.166767|0.032211|1.072407|1.023363|1.055653|1.147521|0.031850|1.647015|8.867418|2.236503|2.085658|1.386890|1.499336|1.654447|1.666853|1.516936|1.393243|2.493208|2.100058|16.034184|3.044705|2.642902|2.636370|3.071489|3.865891|3.877640|3.091929|4.738041|7.144322|9.710577|8.853714|17.469081|8.851797|6.773982|5.662238|6.795808|1.177549|0.033707|0.036416|0.032909|0.029732|0.029000|0.027004|0.028125|0.029168|0.028311|0.040939|0.049184|0.041813|0.036328|0.048922|0.057476|0.064528|0.080956|0.126389|0.081650|0.215482|0.174206|0.302667|0.500000| |1.035105|0.999786|0.027665|0.929421|0.896206|0.925781|0.996482|0.027653|1.411671|7.574532|1.896203|1.806075|1.171545|1.246100|1.358870|1.383253|1.283689|1.186371|2.058986|1.684384|12.339197|2.470530|2.093034|2.161777|2.522591|2.959130|2.785311|2.320432|3.752239|6.621596|6.278017|6.783511|8.858993|17.502116|8.853207|6.786887|5.661658|1.027078|0.028524|0.030497|0.027941|0.025768|0.025155|0.023791|0.024669|0.025616|0.025016|0.033936|0.039774|0.035768|0.031303|0.041238|0.048126|0.054620|0.070098|0.084658|0.060854|0.114344|0.200936|0.214771|0.173815|0.500000| |1.063825|1.020712|0.028275|0.946867|0.909038|0.934188|1.006475|0.028009|1.432339|7.657602|1.927642|1.814935|1.180186|1.262754|1.372094|1.380172|1.274800|1.184674|2.036673|1.667841|12.454571|2.406428|2.018796|2.035535|2.319278|2.732308|2.687915|2.270687|3.283122|5.501363|5.649517|5.493700|8.834935|17.539264|8.805825|5.490298|4.839489|1.030462|0.029303|0.031407|0.028819|0.026212|0.025713|0.024105|0.025065|0.025785|0.025187|0.034633|0.040405|0.035237|0.031169|0.040428|0.046472|0.051331|0.063099|0.083634|0.060797|0.111894|0.139992|0.211725|0.215217|0.303582|0.500000| |0.996039|0.956757|0.026352|0.894077|0.858268|0.881834|0.943487|0.026103|1.343372|7.244268|1.830168|1.729124|1.110122|1.173950|1.267077|1.286174|1.204013|1.122230|1.888093|1.536774|11.463692|2.210194|1.842523|1.910374|2.187543|2.471970|2.326431|1.999459|2.997335|5.288026|4.857770|4.828162|5.484453|8.820586|17.535649|8.810369|5.485648|0.965652|0.027627|0.029232|0.026930|0.024891|0.024275|0.022863|0.023564|0.024475|0.023762|0.032050|0.036848|0.033528|0.029748|0.037603|0.042884|0.049095|0.061477|0.068935|0.052697|0.093797|0.127314|0.123067|0.139212|0.215054|0.211521|0.500000| |1.085898|1.036349|0.028493|0.963752|0.920040|0.944356|1.014566|0.028058|1.454368|7.863373|1.995997|1.865169|1.210287|1.288152|1.396018|1.411086|1.311124|1.219284|2.073210|1.707899|12.997865|2.440208|2.052121|2.106042|2.413868|2.785259|2.659291|2.260493|3.354917|5.629361|5.748376|5.643610|6.764959|8.850967|17.494728|8.850690|6.776894|1.035785|0.030156|0.032015|0.029319|0.026848|0.026161|0.024445|0.025231|0.026204|0.025348|0.035208|0.040821|0.036346|0.032161|0.040911|0.046728|0.053514|0.066676|0.079842|0.059649|0.116547|0.131533|0.138987|0.199199|0.173771|0.214668|0.303349|0.500000| |1.025058|0.990706|0.027215|0.925173|0.890859|0.922448|0.988843|0.027232|1.404567|7.630688|1.916057|1.830658|1.180374|1.242552|1.353167|1.395881|1.309825|1.207558|2.079159|1.703730|12.488119|2.502587|2.130182|2.290099|2.733254|3.069867|2.709047|2.274340|4.016065|7.630179|6.242717|6.783468|5.661722|6.786640|8.850500|17.500402|8.853525|1.021159|0.028455|0.030099|0.027532|0.025823|0.024976|0.023721|0.024376|0.025696|0.024874|0.033575|0.039142|0.036848|0.032042|0.041727|0.048767|0.058780|0.079533|0.077868|0.058176|0.110430|0.201416|0.126824|0.131158|0.199706|0.139298|0.214720|0.173730|0.500000| |1.046046|1.004929|0.027502|0.939391|0.899831|0.928425|0.993545|0.027304|1.419980|7.750217|1.961289|1.855428|1.194561|1.256375|1.362130|1.400177|1.316642|1.219080|2.067796|1.697871|12.700174|2.453854|2.072525|2.215303|2.596610|2.874905|2.577432|2.200571|3.574707|6.462748|5.603207|5.488987|4.834510|5.490849|8.809241|17.540228|8.829837|1.020542|0.029174|0.030703|0.028096|0.026299|0.025401|0.023982|0.024567|0.025912|0.024946|0.034007|0.039333|0.036945|0.032369|0.041168|0.047397|0.057203|0.075015|0.073646|0.056604|0.106022|0.140166|0.106566|0.126740|0.139341|0.123116|0.211336|0.214648|0.303650|0.500000| |1.206636|1.152662|0.031515|1.066082|1.015583|1.050848|1.136084|0.031218|1.636050|8.958650|2.269490|2.123798|1.401721|1.493458|1.644528|1.689190|1.560509|1.427875|2.529360|2.138053|16.368227|3.105290|2.718797|2.878500|3.474439|4.122247|3.681495|2.986560|5.302842|8.451744|9.590827|8.864862|6.808491|5.674698|6.782877|8.836259|17.482450|1.168798|0.033600|0.035755|0.032256|0.029820|0.028733|0.026905|0.027699|0.029288|0.028109|0.040321|0.048020|0.043562|0.037495|0.049744|0.058573|0.071674|0.096476|0.106733|0.075549|0.192657|0.174522|0.139858|0.200889|0.131301|0.127045|0.139228|0.199630|0.173595|0.214388|0.500000| 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