Version2.0 2019-11-28T03:55:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccccc3OC(=O)C)Oc4ccccc4Cl C39666367 RHF 6-31G(d) (6D,7F) C[C@@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccccc3OC(=O)C)Oc4ccccc4Cl C01[X(C27H33Cl1N3O5)] 201 C1 610 C[C@H](Oc1ccccc1Cl)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccccc1OC(=O)C C[C@H](Oc1ccccc1Cl)CNC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)c1ccccc1OC(=O)C C[C@@H](CNC(=O)[C@H]1CN(CC12CC[NH2]CC2)C(=O)c3ccccc3OC(C)=O)Oc4ccccc4Cl InChIKey=VGZSOEJHJMBEJP-GHTZIAJQSA-N InChI=1S/C27H33ClN3O5/c1-18(35-24-10-6-4-8-22(24)28)15-30-25(33)21-16-31(17-27(21)11-13-29-14-12-27)26(34)20-7-3-5-9-23(20)36-19(2)32/h3-10,18,21H,11-17,29H2,1-2H3,(H,30,33)/t18-,21+/m0/s1 InChI=1/C27H33ClN3O5/c1-18(35-24-10-6-4-8-22(24)28)15-30-25(33)21-16-31(17-27(21)11-13-29-14-12-27)26(34)20-7-3-5-9-23(20)36-19(2)32/h3-10,18,21H,11-17,29H2,1-2H3,(H,30,33)/t18-,21+/m0/s1/f/h30H C[C@@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccccc3OC(=O)C)Oc4ccccc4Cl C01[X(C27H33Cl1N3O5)] 201 C01 610 C[C@H](Oc1ccccc1Cl)CNC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccccc1OC(=O)C C[C@H](Oc1ccccc1Cl)CNC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)c1ccccc1OC(=O)C C[C@@H](CNC(=O)[C@H]1CN(CC12CC[NH2]CC2)C(=O)c3ccccc3OC(C)=O)Oc4ccccc4Cl InChIKey=VGZSOEJHJMBEJP-GHTZIAJQSA-N InChI=1S/C27H33ClN3O5/c1-18(35-24-10-6-4-8-22(24)28)15-30-25(33)21-16-31(17-27(21)11-13-29-14-12-27)26(34)20-7-3-5-9-23(20)36-19(2)32/h3-10,18,21H,11-17,29H2,1-2H3,(H,30,33)/t18-,21+/m0/s1 InChI=1/C27H33ClN3O5/c1-18(35-24-10-6-4-8-22(24)28)15-30-25(33)21-16-31(17-27(21)11-13-29-14-12-27)26(34)20-7-3-5-9-23(20)36-19(2)32/h3-10,18,21H,11-17,29H2,1-2H3,(H,30,33)/t18-,21+/m0/s1/f/h30H 4306.7325713010 -2038.6637908 1-A 19923.2028 136 474 610 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0.99987 1 0.00691 0.00307 0.00274 0.14401 0.06405 0.05715 9.14 23.15 29.35 33.84 43.20 69.57 81.95 93.99 99.62 105.90 108.78 132.31 164.23 171.76 179.46 187.66 194.85 214.36 261.19 264.46 282.28 304.77 316.97 333.89 357.19 367.29 385.60 399.98 412.70 448.15 459.58 462.24 478.90 499.64 521.92 557.14 588.52 592.76 610.07 628.46 680.74 701.10 706.42 718.37 721.48 749.53 782.03 805.39 825.07 843.68 854.42 863.95 926.50 933.66 953.13 957.08 1016.44 1035.26 1071.72 1074.02 1100.71 1156.22 1163.75 1191.66 1216.08 1223.67 1227.32 1244.07 1256.09 1274.32 1275.82 1286.69 1316.08 1343.69 1352.91 1371.56 1381.57 1404.31 1434.30 1443.61 1449.56 1485.62 1497.80 1514.62 1524.61 1550.43 1558.79 1572.37 1577.93 1589.73 1610.63 1627.59 1629.65 1636.43 1639.44 1640.68 1648.12 1660.88 1681.50 1696.57 1701.51 1737.20 1742.30 1746.87 1750.11 1770.72 1781.51 1788.19 1813.80 1834.94 1844.84 1856.00 1902.94 1904.07 1911.65 1921.71 1936.23 1947.63 1958.44 1975.62 2005.07 2011.41 2030.91 2036.84 2038.29 2064.51 2066.93 2083.89 2086.14 2105.29 2111.61 2163.17 2175.59 2199.44 2213.46 2217.76 2232.49 2236.87 2247.60 2252.82 2256.73 2261.74 2266.72 2274.48 2315.76 2318.88 2323.78 2326.89 2339.15 2345.76 2350.54 2359.23 2363.37 2365.88 2383.32 2394.07 2398.38 2408.30 2422.55 2493.27 2558.14 2560.89 2585.03 2610.10 2630.01 2763.24 2775.33 2844.53 4596.93 4608.30 4631.15 4655.18 4670.29 4675.21 4686.48 4695.55 4713.83 4717.07 4728.57 4744.10 4748.27 4749.24 4759.41 4783.31 4784.93 4788.64 4799.39 4803.19 4810.31 4851.51 4854.43 4859.65 4869.04 4881.01 4886.08 4898.93 4898.97 4905.84 5280.89 5373.48 5569.93 0.622493 0.654321 0.655265 0.554560 -2038.041297 -2038.009470 -2038.008526 -2038.109231 3.377662D-04 MUNgauss RevisionA1.9 retrievium 28-Nov-2019 DUDE C[C@@H](CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccccc3OC(=O)C)Oc4ccccc4Cl C39666367 RHF 6-31G(d) (6D,10F) C1 514.210839 |X|Y|Z| 112.772039 67.212639 51.845284 73.246557 28 6 7 8 24 3 1 |36.858105| |12.527173|36.858105| |8.824185|17.577306|0.500000| |7.565154|12.490163|0.247456|36.858105| |5.004587|7.725561|0.194280|13.144712|53.358707| |4.030177|5.633944|0.163201|7.747274|19.329101|36.858105| |3.933299|5.145182|0.156274|6.756477|11.541588|15.781956|73.516695| |3.162837|4.170360|0.121024|5.015243|10.729773|12.469828|14.141259|36.858105| |3.074248|4.015856|0.111260|4.843665|10.431567|8.899920|10.512096|17.575648|0.500000| |3.008483|3.937697|0.121027|4.202079|7.862382|7.577528|10.737237|12.335351|0.243880|36.858105| |2.644848|3.291162|0.102523|3.501914|6.010389|5.938675|10.083211|8.036480|0.162806|13.070325|53.358707| |2.518374|3.064786|0.092852|3.438477|5.861096|6.088460|11.210698|7.930969|0.158363|7.867426|17.815322|36.858105| |2.607768|3.218231|0.093447|3.810560|6.980277|7.373606|11.642055|12.283187|0.242184|7.864978|11.015972|12.351209|36.858105| |2.537814|3.031767|0.085715|3.746271|6.471579|6.402367|11.247286|7.341168|0.174440|4.985191|6.957785|7.411918|12.389306|36.858105| |2.123865|2.449847|0.069475|2.898123|4.689427|4.269748|7.802617|4.828529|0.121556|3.848489|5.728774|6.014098|7.477886|12.504967|36.858105| |1.923018|2.211922|0.062375|2.556358|4.154403|3.618831|6.254803|4.367854|0.117123|3.640388|5.300563|5.091810|6.446492|7.673037|12.651014|53.358707| |1.756126|1.989874|0.056178|2.267122|3.590192|3.065556|5.397794|3.570649|0.095863|3.109551|4.592087|4.275869|4.909495|5.669539|9.166459|25.694930|0.500000| |1.926669|2.211430|0.061465|2.579563|4.199082|3.545545|5.971842|4.240643|0.119658|3.445001|4.767286|4.339590|5.765759|7.032463|9.212177|25.684116|0.328393|0.500000| |1.938074|2.261153|0.064572|2.552902|4.233564|3.722614|6.249247|4.891420|0.130502|4.346580|6.478224|6.012026|7.418773|6.472759|7.580111|17.169452|0.254350|0.255125|36.858105| |2.239271|2.697269|0.077091|3.080859|5.416045|4.912661|7.679085|7.605498|0.204822|6.269226|8.500261|7.480778|12.316589|7.617012|6.517762|10.469913|0.157766|0.195132|12.524855|36.858105| |2.344822|2.827891|0.088225|2.887547|4.691321|4.230663|7.346080|5.222318|0.120091|7.866479|19.075708|7.611147|5.331465|3.841687|3.437180|4.517487|0.083063|0.083068|4.103207|4.870454|36.858105| |2.293911|2.759164|0.085710|2.738206|4.403589|3.758505|6.311398|4.587214|0.112192|7.065622|11.598548|5.347519|4.357665|3.254380|2.919449|3.943550|0.073155|0.074382|3.562235|4.240419|15.864004|73.516695| |2.084914|2.431626|0.075342|2.490487|3.889909|3.458175|6.347154|3.982335|0.093856|5.028424|10.619987|6.465534|4.396910|3.472762|3.319582|4.321445|0.082185|0.077849|3.810130|4.063020|12.672429|14.330215|36.858105| |2.138501|2.460431|0.077028|2.520606|3.830188|3.423255|6.645126|3.672039|0.085667|4.339362|8.620696|5.991891|4.041253|3.402147|3.267319|4.053399|0.077824|0.073064|3.358483|3.518958|7.593128|9.793114|13.710477|36.858105| |1.894404|2.123745|0.065542|2.171266|3.221330|2.794639|5.435685|2.937825|0.070750|3.306954|5.957175|4.409806|3.255038|2.901162|2.907636|3.639745|0.071892|0.065766|2.933258|2.935994|5.028115|7.281789|7.885006|13.758464|36.858105| |1.687794|1.879671|0.057197|1.919628|2.853813|2.429608|4.596831|2.610949|0.064428|2.930269|5.105887|3.752083|2.910558|2.601805|2.675235|3.479359|0.069984|0.062946|2.843172|2.763065|4.442293|6.778152|6.835578|7.961062|13.765883|36.858105| |1.659004|1.864160|0.056414|1.903773|2.874328|2.438689|4.489230|2.711986|0.067611|3.111929|5.433343|3.857227|3.032385|2.631282|2.703469|3.644588|0.073133|0.065915|3.101713|3.001819|5.019935|7.839758|7.894822|6.896262|7.940621|13.752051|36.858105| |1.816670|2.080526|0.063294|2.126559|3.281284|2.822416|5.101513|3.253107|0.080150|3.920312|7.214488|4.776288|3.629154|2.982830|2.978799|4.048449|0.079174|0.073085|3.604155|3.622141|7.549186|11.281130|13.713399|7.990724|6.898011|7.970346|13.813385|36.858105| |1.728462|1.980499|0.059529|2.018425|3.135402|2.640316|4.626912|3.119909|0.079382|3.781542|6.429132|4.150689|3.418740|2.787164|2.779812|3.942910|0.077190|0.072310|3.622001|3.646070|6.552320|11.491467|7.868024|5.198284|4.605093|5.260349|8.123398|13.824057|73.516695| |1.739358|2.007817|0.059585|2.077046|3.286555|2.769039|4.741506|3.407538|0.088378|4.057616|6.658452|4.400869|3.822989|3.049000|3.057619|4.532796|0.087984|0.083063|4.429669|4.411665|6.192050|10.869595|6.249538|4.362169|3.797301|4.121353|5.604289|8.053694|25.536709|36.858105| |1.813660|2.108533|0.062246|2.229159|3.586840|3.090275|5.279597|3.930734|0.100889|4.498628|7.601402|5.427180|4.740034|3.678839|3.755321|5.727338|0.109448|0.101822|6.099599|5.804757|6.359333|10.034554|6.235193|4.489403|3.829007|3.997772|5.089779|6.994271|15.245839|15.950598|73.516695| |1.622864|1.858480|0.054579|1.902489|2.983119|2.433050|4.102381|2.952910|0.079600|3.464246|5.182115|3.403389|3.161953|2.595297|2.583178|3.887933|0.076048|0.073714|3.676795|3.713428|4.565601|8.863934|4.350160|3.318550|2.981723|3.229837|4.157669|5.224274|14.539114|12.715093|14.124042|36.858105| |7.879310|13.401570|0.258035|8.104739|9.409802|4.949703|7.491183|4.082597|0.115699|3.963174|4.320875|2.879721|3.088310|2.834812|2.312413|2.927053|0.053701|0.060308|2.235306|2.697846|2.774725|4.966600|2.341583|2.302513|1.988661|1.790981|1.806590|2.032692|3.514014|2.025318|3.753321|1.909585|73.516695| |5.675617|7.887633|0.211412|5.440322|7.236729|4.305760|6.608671|3.852407|0.108393|4.081726|4.418519|2.822560|2.942966|2.614141|2.172737|2.795148|0.051547|0.057137|2.182683|2.632947|2.931018|5.428836|2.436494|2.360438|2.029237|1.837718|1.870065|2.120469|3.700072|2.118091|3.858952|2.017609|25.136955|36.858105| |5.350136|6.436551|0.198140|4.407000|5.671535|3.653884|5.955027|3.287462|0.089345|3.617394|4.142832|2.626768|2.628153|2.344951|1.991511|2.553792|0.047605|0.051653|1.995642|2.353464|2.846084|5.314901|2.413241|2.371059|2.053704|1.853314|1.870381|2.102201|3.637378|2.038897|3.660497|1.940765|14.045767|13.717397|36.858105| |3.868003|4.418389|0.135389|3.397306|4.582351|3.094540|5.086959|2.938701|0.080143|3.360368|3.932626|2.451873|2.415084|2.131234|1.845939|2.402962|0.045105|0.048427|1.902106|2.220387|2.816461|5.443045|2.395106|2.319109|2.021503|1.847828|1.882659|2.117732|3.711311|2.063208|3.635232|1.994052|9.248988|7.911221|13.759816|36.858105| |3.238421|3.759759|0.111040|3.088993|4.362569|2.965237|4.764923|2.953844|0.082519|3.434264|3.943530|2.431765|2.427852|2.112857|1.838932|2.437288|0.045712|0.049321|1.955613|2.296225|2.862767|5.706493|2.396504|2.258069|1.966320|1.825468|1.893330|2.150679|3.858090|2.171666|3.795516|2.142122|8.180272|6.817598|7.923080|13.770778|36.858105| |3.304494|3.991893|0.113177|3.385348|4.962196|3.280933|5.076727|3.342079|0.096782|3.824747|4.179147|2.583773|2.668287|2.301946|1.977628|2.643259|0.049147|0.054003|2.130056|2.552949|2.950289|5.853560|2.419630|2.248777|1.944653|1.810565|1.893247|2.170743|3.934793|2.269026|4.018881|2.248252|9.343030|7.881831|6.883849|7.974235|13.766392|36.858105| |4.095334|5.303765|0.143225|4.387151|6.459496|3.981769|5.950131|3.894960|0.114739|4.231996|4.445597|2.796573|2.970312|2.582120|2.162518|2.851490|0.052490|0.058652|2.267139|2.766243|2.991679|5.710268|2.443044|2.300092|1.976192|1.818231|1.883490|2.157660|3.853449|2.240567|4.059902|2.176069|14.416128|13.685403|7.979177|6.921514|7.955799|13.785235|36.858105| |3.593721|4.577206|0.116566|4.382273|6.939169|4.131816|5.918585|4.235262|0.137098|4.211347|4.338613|2.831483|3.196992|2.806107|2.326726|3.122277|0.056913|0.065634|2.471993|3.070781|2.843876|5.320282|2.330199|2.171574|1.875628|1.742545|1.818735|2.083849|3.766329|2.252774|4.163597|2.203676|11.613127|6.994634|4.757729|4.233481|4.768923|7.052055|10.899765|448.794386| |17.570725|8.854877|0.173281|6.899754|6.355413|3.681315|6.259948|2.957442|0.081932|2.755319|3.287806|2.329190|2.462632|2.433401|2.048195|2.543970|0.047489|0.052553|1.868741|2.148885|2.145631|3.742763|1.914682|1.948046|1.739335|1.565671|1.546351|1.688194|2.879386|1.642872|3.052693|1.544463|12.727309|5.055503|4.531934|3.428464|2.981941|3.115286|3.872940|28.839976|0.500000| |17.554872|8.838423|0.210906|6.877521|6.269706|3.924598|7.197349|3.035400|0.080364|2.863880|3.530835|2.519096|2.572505|2.552835|2.150935|2.613058|0.048900|0.053134|1.914000|2.183304|2.297971|3.937782|2.079556|2.171227|1.937634|1.713266|1.665194|1.807737|3.025194|1.702712|3.165874|1.576141|10.092017|4.453487|4.370702|3.348250|2.831552|2.851587|3.409169|24.598706|0.300266|0.500000| |17.594351|8.801728|0.211073|5.495722|5.614601|3.466729|6.024686|2.844185|0.076874|2.804608|3.384443|2.328914|2.371577|2.276021|1.936732|2.413799|0.045269|0.049188|1.804178|2.070575|2.255027|3.978147|2.012629|2.060724|1.835517|1.642510|1.615804|1.764361|2.993901|1.682719|3.085796|1.580925|12.489072|5.825794|6.136164|4.355459|3.489387|3.428061|4.120159|27.499089|0.302134|0.301428|0.500000| |6.816463|8.850075|0.214870|17.654473|12.576183|7.430886|13.874164|4.681822|0.119940|3.918308|4.703669|3.516506|3.792950|3.886724|3.021337|3.522381|0.064085|0.071776|2.537251|2.993348|2.845365|4.697036|2.515688|2.609955|2.262574|1.977438|1.933185|2.137195|3.552015|2.038999|3.906310|1.847052|10.266065|4.353828|3.814804|3.035124|2.739608|2.917371|3.592819|28.393664|0.167669|0.202755|0.139852|0.500000| |7.028054|8.896717|0.174666|17.584004|12.559923|5.890839|9.181176|4.284997|0.121433|3.569956|4.096929|2.997302|3.392045|3.436697|2.717119|3.310905|0.060255|0.069338|2.396689|2.850082|2.532696|4.312652|2.212141|2.223933|1.947137|1.745377|1.737567|1.925766|3.284081|1.913840|3.648782|1.774495|12.921905|4.850931|3.898681|3.074657|2.848450|3.160083|4.080196|34.771121|0.211096|0.173488|0.142557|0.301346|0.500000| |4.571495|6.813765|0.167334|9.124781|26.037198|9.419446|10.861604|7.564844|0.240785|5.793462|5.721041|3.964457|4.822488|4.315769|3.218463|4.042987|0.071335|0.084612|3.087751|4.017934|3.360123|5.778000|2.743902|2.635894|2.226545|2.004146|2.047527|2.351263|4.076539|2.433014|4.694011|2.247445|13.269485|5.858919|4.296085|3.511985|3.459606|4.132271|5.634628|54.310050|0.122606|0.112516|0.108441|0.180227|0.220834|0.500000| |2.715149|3.462555|0.103482|3.618841|6.535731|5.615995|8.112714|8.720360|0.224800|17.612987|12.361754|6.114858|6.474567|4.313962|3.506067|4.780156|0.084027|0.093667|4.359897|6.339036|7.237413|13.429000|4.658229|3.840381|3.021903|2.776567|3.037731|3.866618|7.051399|4.439295|8.587643|3.937347|6.500359|3.882783|3.421914|3.292966|3.527131|4.041667|4.302576|35.565487|0.070267|0.071007|0.071327|0.092339|0.088756|0.143015|0.500000| |3.424031|4.649495|0.150265|4.643190|8.380493|7.406029|10.710400|8.656864|0.191476|17.609707|12.327318|5.962004|5.704465|4.146871|3.270895|4.155518|0.074091|0.081184|3.493459|4.643859|6.743695|11.708185|4.553626|4.116966|3.170706|2.778349|2.896262|3.563276|6.052252|3.504975|6.604011|3.081187|8.345524|5.037119|4.491754|4.098991|4.092391|4.494523|5.050646|36.749806|0.085005|0.089229|0.089521|0.117834|0.106193|0.170142|0.304130|0.500000| |2.206749|2.612906|0.078411|2.882384|4.731603|4.547855|8.395260|5.683718|0.126714|5.843015|12.417488|17.652373|8.634579|6.259651|6.107557|7.447009|0.132234|0.123092|6.804107|7.080659|7.223683|9.045995|7.260921|6.453334|4.909799|4.314159|4.532549|5.638203|8.458876|5.092954|11.891484|3.723798|4.413727|2.456832|2.316940|2.202195|2.201657|2.320017|2.459725|20.041193|0.057177|0.061496|0.057294|0.081979|0.071448|0.090861|0.141506|0.129328|0.500000| |2.663064|3.213855|0.098576|3.640344|5.977505|6.348072|13.649425|6.747451|0.137119|6.346098|12.323985|17.631720|8.814826|7.145054|5.769075|6.109297|0.107789|0.108033|4.773972|5.507823|6.118444|8.025479|5.726755|6.164499|4.607307|3.724403|3.618373|4.237854|6.365217|3.635258|7.571862|2.900342|5.170359|2.802388|2.642180|2.430228|2.355060|2.465252|2.692377|21.495025|0.067723|0.075499|0.067897|0.107653|0.086798|0.107521|0.135899|0.150698|0.301210|0.500000| |2.747318|3.267176|0.092997|4.126931|6.863227|7.018544|14.322277|6.601702|0.150912|4.677063|6.619718|6.900117|8.785502|17.640047|8.982712|7.616295|0.126938|0.143811|4.858459|5.517758|3.675288|5.513519|3.387117|3.473114|2.972063|2.600910|2.562491|2.860146|4.648425|2.774181|5.780608|2.366976|5.227050|2.668871|2.417364|2.168232|2.109813|2.269241|2.563352|21.810552|0.072475|0.078294|0.067674|0.125096|0.103081|0.120149|0.108811|0.113820|0.157300|0.218710|0.500000| |2.573351|3.065639|0.084135|3.888082|6.782164|6.126096|9.931521|6.826763|0.185570|4.505789|5.815504|5.448293|8.803735|17.495366|8.903096|9.421148|0.144465|0.206662|5.689860|6.836054|3.326160|5.211846|2.970470|2.882607|2.498580|2.276013|2.316813|2.608950|4.438612|2.749903|5.784521|2.417301|5.180201|2.640839|2.325178|2.100256|2.094360|2.314631|2.630218|23.771977|0.069834|0.071189|0.063616|0.109454|0.102639|0.129000|0.112469|0.106663|0.131509|0.144821|0.303854|0.500000| |2.050936|2.351456|0.067798|2.718314|4.316350|3.964572|7.542799|4.418666|0.107721|3.769357|5.994207|6.588294|6.712633|8.747561|17.624860|12.436461|0.224381|0.181253|6.944961|5.752083|3.674080|5.408139|3.723609|3.748755|3.368625|3.075136|3.062211|3.331643|5.359820|3.254721|7.144242|2.674097|3.916751|2.095451|1.952284|1.822962|1.807707|1.918590|2.073736|17.497660|0.054404|0.058081|0.052378|0.079493|0.069907|0.081769|0.094560|0.089657|0.204488|0.181346|0.212718|0.173099|0.500000| |2.045528|2.315103|0.064887|2.753185|4.313024|3.769889|6.981598|4.006829|0.103987|3.233124|4.687761|4.584407|5.452820|8.768056|17.624062|12.362423|0.222933|0.224392|5.570241|4.894271|2.893710|4.467451|2.827859|2.837272|2.592487|2.397900|2.392137|2.575852|4.290453|2.617952|5.542416|2.264995|3.864269|2.022640|1.858408|1.717366|1.702936|1.825501|1.999764|17.308334|0.055295|0.057961|0.051675|0.080603|0.073014|0.082030|0.082541|0.078847|0.127905|0.128345|0.212620|0.215328|0.301303|0.500000| |1.876586|2.176205|0.063008|2.418297|3.937461|3.496661|6.075046|4.445867|0.113476|4.221091|6.840354|6.523170|6.614106|5.667326|6.884897|12.368549|0.224070|0.180739|17.679843|8.752979|4.518037|6.742328|4.452195|3.873325|3.397846|3.333606|3.683683|4.292365|7.485691|5.140925|13.450971|3.982671|3.788438|2.100308|1.952426|1.874379|1.916603|2.055436|2.162781|18.428281|0.049859|0.051811|0.048832|0.067498|0.062448|0.078725|0.115722|0.095309|0.238737|0.142482|0.126938|0.131531|0.206970|0.142271|0.500000| |1.789553|2.067188|0.058618|2.303736|3.763955|3.182569|5.292481|4.080373|0.114063|3.751804|5.392430|4.583969|5.431043|4.884919|5.574106|12.347048|0.221986|0.224716|17.634012|8.786885|3.594677|5.794345|3.354122|2.933611|2.617969|2.600100|2.879567|3.303685|6.154520|4.349893|10.312579|3.816090|3.686440|2.039930|1.866785|1.796677|1.866841|2.039649|2.146740|18.974906|0.048267|0.048839|0.046580|0.063004|0.060879|0.077700|0.108944|0.085922|0.141363|0.105076|0.107478|0.128506|0.142876|0.126408|0.302393|0.500000| |2.253395|2.710665|0.075700|3.136184|5.561400|4.748704|7.144226|7.078463|0.227407|5.465387|6.695477|5.484294|8.798515|6.838336|5.703687|9.408798|0.144280|0.205543|8.914412|17.503575|3.975331|6.478395|3.339022|2.958385|2.522839|2.387944|2.572884|3.031951|5.510781|3.698302|8.117672|3.310946|4.913012|2.666045|2.337595|2.193370|2.286555|2.590428|2.842443|26.521744|0.060929|0.060472|0.057626|0.083060|0.082514|0.118702|0.159187|0.118297|0.141167|0.123306|0.139807|0.201188|0.132596|0.128131|0.173343|0.216862|0.500000| |2.186617|2.639182|0.076333|2.912567|5.062224|4.476706|6.980523|6.903994|0.186579|6.988525|9.474581|6.995459|8.718420|5.513100|4.892300|7.651181|0.127512|0.143845|9.072734|17.633545|5.770627|9.203785|4.534131|3.698806|3.040498|2.902375|3.254107|4.088421|7.647150|5.494912|13.117297|4.578416|4.774980|2.697099|2.428594|2.333821|2.452597|2.730200|2.891163|25.378571|0.057962|0.058766|0.056891|0.077681|0.074423|0.106441|0.221247|0.139614|0.189454|0.140383|0.122960|0.139506|0.128966|0.107813|0.215656|0.214072|0.303334|0.500000| |2.399538|2.786107|0.088917|2.854136|4.311166|3.933067|7.954735|4.027127|0.091610|4.713760|9.252566|6.441724|4.288122|3.637350|3.356677|4.026662|0.076226|0.073298|3.253245|3.520730|7.071730|9.238914|8.942403|17.723626|8.931127|5.658771|4.964690|5.672996|7.455989|3.725761|6.950183|2.948749|4.528846|2.588569|2.608799|2.504192|2.391448|2.375472|2.468756|18.501564|0.059953|0.068245|0.063849|0.083254|0.068695|0.080656|0.110306|0.128264|0.172247|0.204784|0.106796|0.085120|0.105608|0.081376|0.100989|0.078165|0.083130|0.100509|0.500000| |1.889397|2.089143|0.064483|2.132964|3.103811|2.669325|5.295903|2.716117|0.065697|2.975357|5.145232|3.897352|2.973788|2.742593|2.749939|3.380590|0.067093|0.061583|2.642487|2.643850|4.104076|6.123336|5.626921|8.923158|17.733521|8.907817|5.644665|4.966410|6.499943|3.134958|5.670361|2.553567|3.433760|1.954854|1.991794|1.946880|1.870456|1.839462|1.879763|14.274245|0.048092|0.054276|0.050872|0.062520|0.053194|0.059081|0.074957|0.080634|0.116439|0.118200|0.079756|0.066025|0.088226|0.069464|0.083411|0.065695|0.064148|0.074647|0.215553|0.500000| |1.562924|1.718561|0.051942|1.752706|2.574044|2.161147|4.093094|2.291120|0.057259|2.518891|4.228325|3.150440|2.538377|2.328884|2.423303|3.160947|0.064429|0.057623|2.528676|2.427748|3.552480|5.600850|4.933567|5.652918|8.910767|17.730024|8.936666|5.666790|7.568933|3.470231|5.986890|2.843096|2.910000|1.674051|1.693523|1.690333|1.666626|1.648022|1.653025|12.744363|0.040442|0.044220|0.042358|0.050286|0.044609|0.050269|0.066707|0.066903|0.099035|0.087959|0.064949|0.057245|0.076930|0.061427|0.081292|0.065077|0.059229|0.070059|0.124263|0.214259|0.500000| 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|1.593582|1.824202|0.052988|1.886574|2.974453|2.409240|4.019547|2.955647|0.081489|3.348654|4.847733|3.283826|3.192320|2.644229|2.652402|4.120641|0.080700|0.079060|3.959934|3.931429|4.009380|7.581860|3.740296|2.957489|2.667694|2.845631|3.522016|4.263228|10.435357|8.965163|13.200677|17.644306|3.351280|1.975133|1.875593|1.912336|2.062622|2.198538|2.146331|17.878547|0.042436|0.042897|0.042933|0.050685|0.049294|0.062746|0.106981|0.081768|0.099266|0.077429|0.065983|0.069351|0.074996|0.064702|0.115551|0.119699|0.099419|0.134966|0.074532|0.064542|0.070595|0.099327|0.297946|0.500000| |1.691305|1.945879|0.057358|1.965114|3.081618|2.486767|4.151286|3.011074|0.081583|3.656046|5.291263|3.314846|3.091382|2.511406|2.434093|3.592588|0.069390|0.068973|3.333887|3.542229|4.759349|10.089224|4.274437|3.262297|2.881217|3.049391|3.824570|4.865031|12.808285|9.047110|11.205301|17.569303|3.593957|2.170752|2.095250|2.183346|2.381378|2.496364|2.371081|19.027811|0.044589|0.045319|0.046026|0.052544|0.050770|0.065035|0.118618|0.092006|0.097152|0.078979|0.064183|0.065457|0.069370|0.059544|0.097806|0.094502|0.089167|0.122259|0.081835|0.068982|0.074467|0.105693|0.302157|0.298510|0.500000| |6.392943|6.940657|0.222790|4.500357|5.440222|3.537719|5.986824|3.075417|0.082201|3.305694|3.916705|2.537590|2.510364|2.284955|1.948903|2.468827|0.046212|0.049788|1.905347|2.217665|2.683484|4.902832|2.329428|2.341253|2.046042|1.831216|1.822881|2.024238|3.455869|1.921620|3.461231|1.813805|12.668592|8.922537|17.756799|8.940367|5.649137|4.960936|5.663206|31.481086|0.140524|0.145335|0.224994|0.111884|0.109635|0.109572|0.085033|0.112067|0.062295|0.072390|0.066498|0.062647|0.053327|0.050880|0.052052|0.049297|0.060846|0.062826|0.072355|0.055823|0.046710|0.046448|0.046588|0.048611|0.053860|0.500000| 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