Version2.0 2020-01-14T21:39:13Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 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@H](c1nnnn1CCOC)[NH+](Cc2ccc(cc2)OC)Cc3cc4c(ccc(c4[nH]c3=O)C)C C13065288 RHF 6-31G(d) (6D,7F) CC[C@H](c1nnnn1CCOC)[NH+](Cc2ccc(cc2)OC)Cc3cc4c(ccc(c4[nH]c3=O)C)C C01[X(C27H35N6O3)] 207 C1 610 COCCn1nnnc1[C@H]([NH+](Cc1cc2c(C)ccc(c2[nH]c1=O)C)Cc1ccc(cc1)OC)CC COCCn1nnnc1[C@H]([NH+](Cc1cc2c(C)ccc(c2[nH]c1=O)C)Cc1ccc(cc1)OC)CC CC[C@@H]([NH+](Cc1ccc(OC)cc1)CC2=Cc3c(C)ccc(C)c3NC2=O)c4nnnn4CCOC InChIKey=YXZSPRRMPJPCQK-XMMPIXPASA-O InChI=1S/C27H34N6O3/c1-6-24(26-29-30-31-33(26)13-14-35-4)32(16-20-9-11-22(36-5)12-10-20)17-21-15-23-18(2)7-8-19(3)25(23)28-27(21)34/h7-12,15,24H,6,13-14,16-17H2,1-5H3,(H,28,34)/p+1/t24-/m1/s1 InChI=1/C27H34N6O3/c1-6-24(26-29-30-31-33(26)13-14-35-4)32(16-20-9-11-22(36-5)12-10-20)17-21-15-23-18(2)7-8-19(3)25(23)28-27(21)34/h7-12,15,24H,6,13-14,16-17H2,1-5H3,(H,28,34)/p+1/t24-/m1/s1/fC27H35N6O3/h28,32H/q+1 CC[C@H](c1nnnn1CCOC)[NH+](Cc2ccc(cc2)OC)Cc3cc4c(ccc(c4[nH]c3=O)C)C C01[X(C27H35N6O3)] 207 C01 610 COCCn1nnnc1[C@H]([NH+](Cc1cc2c(C)ccc(c2[nH]c1=O)C)Cc1ccc(cc1)OC)CC COCCN1NNN[C@@H]1[C@H]([NH](CC1=Cc2c(C)ccc(c2N[C@@H]1O)C)Cc1ccc(cc1)OC)CC CC[C@H]([C@H]1NNNN1CCOC)[NH](Cc2ccc(OC)cc2)CC3=Cc4c(C)ccc(C)c4N[C@@H]3O InChIKey=XVBDPLPDAFEHMR-FXVJXKIMSA-N InChI=1S/C27H41N6O3/c1-6-24(26-29-30-31-33(26)13-14-35-4)32(16-20-9-11-22(36-5)12-10-20)17-21-15-23-18(2)7-8-19(3)25(23)28-27(21)34/h7-12,15,24,26-32,34H,6,13-14,16-17H2,1-5H3/t24-,26+,27-/m1/s1 InChI=1/C27H41N6O3/c1-6-24(26-29-30-31-33(26)13-14-35-4)32(16-20-9-11-22(36-5)12-10-20)17-21-15-23-18(2)7-8-19(3)25(23)28-27(21)34/h7-12,15,24,26-32,34H,6,13-14,16-17H2,1-5H3/t24-,26+,27-/m1/s1 3890.5312179211 -1593.8692145 1-A 22881.7428 131 479 610 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12.00000 15.99491 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 16157.9546 28162.2197 37739.2451 0.99996 -0.00176 0.00820 0.00170 0.99997 0.00777 -0.00821 -0.00776 0.99994 1 0.00536 0.00308 0.00230 0.11169 0.06408 0.04782 11.91 18.29 29.60 42.48 48.41 57.87 67.06 81.83 108.61 113.47 127.61 143.87 151.31 163.38 180.99 186.87 193.07 213.52 223.29 247.37 263.64 265.93 285.88 288.50 325.23 329.25 345.45 364.18 375.46 386.18 402.33 432.96 453.98 459.69 478.40 484.19 522.65 532.52 546.11 571.73 610.30 629.42 639.43 661.55 672.25 681.13 707.14 723.30 753.31 782.99 803.79 839.56 848.63 883.98 921.46 939.69 968.79 1005.11 1052.00 1069.91 1074.98 1102.70 1125.22 1148.58 1169.57 1191.71 1199.48 1207.36 1213.72 1257.21 1264.33 1269.78 1288.52 1318.27 1334.84 1346.60 1350.66 1385.51 1406.34 1475.67 1500.21 1536.52 1551.25 1566.57 1568.87 1570.81 1579.25 1590.19 1591.24 1598.63 1628.94 1643.45 1646.89 1666.82 1670.41 1676.19 1685.59 1686.16 1692.50 1707.40 1751.90 1754.06 1783.51 1788.96 1824.23 1847.08 1853.05 1854.83 1855.85 1859.95 1879.58 1895.50 1903.66 1909.03 1930.04 1958.37 1969.48 1970.63 1982.92 2023.25 2025.84 2027.55 2041.56 2050.83 2059.40 2084.45 2091.99 2105.05 2121.92 2142.32 2170.00 2186.77 2210.17 2230.13 2246.90 2251.79 2262.51 2263.67 2270.12 2280.77 2287.00 2290.55 2311.24 2339.34 2343.80 2346.94 2352.30 2352.82 2354.52 2355.73 2358.53 2361.68 2365.94 2366.79 2373.70 2376.07 2376.32 2381.30 2382.23 2385.06 2393.90 2399.44 2416.41 2427.71 2450.76 2511.59 2547.28 2561.99 2593.16 2611.24 2630.22 2707.99 4573.10 4597.93 4602.28 4617.00 4630.97 4633.36 4665.92 4669.15 4669.36 4683.79 4694.34 4694.42 4716.44 4727.94 4729.03 4730.96 4743.54 4755.43 4759.05 4760.17 4794.11 4794.96 4811.49 4819.70 4828.77 4833.88 4835.54 4855.24 4878.32 4881.34 4885.32 4899.08 4912.55 5136.71 5544.36 0.648573 0.681720 0.682664 0.579287 -1593.220641 -1593.187495 -1593.186550 -1593.289928 3.467315D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2020 DUDE CC[C@H](c1nnnn1CCOC)[NH+](Cc2ccc(cc2)OC)Cc3cc4c(ccc(c4[nH]c3=O)C)C C13065288 RHF 6-31G(d) (6D,10F) C1 491.277064 |X|Y|Z| 84.546214 117.141200 44.850905 76.300084 25 6 7 19 6 |36.858105| |12.456437|36.858105| |7.401325|12.380977|36.858105| |7.080193|8.965087|17.605267|0.500000| |4.895800|7.536749|12.642353|0.251114|36.858105| |3.916654|5.524165|7.601795|0.162402|14.722655|53.358707| |3.230586|4.304060|5.322896|0.127448|9.049980|19.413033|53.358707| |3.296705|4.365733|5.287193|0.134716|8.892665|12.191005|20.752010|53.358707| |4.153502|5.815006|7.550373|0.195669|14.277070|12.188747|12.444272|19.515195|53.358707| |4.063895|5.180467|5.944625|0.179231|7.428371|7.263402|7.495208|10.746006|17.758051|36.858105| |3.637115|4.493876|4.483161|0.127020|5.310294|5.839011|6.282579|8.585794|10.483663|12.504098|36.858105| |3.360770|3.819208|3.740720|0.111030|4.053408|4.559700|4.770298|6.049739|7.145859|8.225414|13.751085|73.516695| |2.871488|3.175878|3.018819|0.087167|3.238425|3.826156|4.040494|4.913329|5.395006|5.253180|8.117630|24.158903|36.858105| |6.009075|7.420269|12.595930|0.258022|7.644362|8.895751|6.187037|5.678263|6.963168|4.159863|3.330299|5.151592|2.437469|53.358707| |6.881897|7.051417|9.416036|0.236208|5.735130|6.650042|5.024843|4.771849|5.815670|3.741078|3.066668|4.900313|2.338222|25.533173|0.500000| |4.854556|5.914417|7.254821|0.152789|5.972610|8.501106|5.933220|5.106412|5.731650|3.387901|2.891946|4.455188|2.178780|16.936636|0.254735|36.858105| |5.223462|5.799060|5.638843|0.125038|4.559588|6.224451|4.755915|4.251471|4.747526|2.961372|2.651822|4.160720|2.079016|10.085256|0.200355|12.647967|36.858105| |4.593272|5.296745|4.712523|0.105360|4.178927|5.893351|4.686989|4.170353|4.524557|2.826078|2.634707|4.098077|2.086456|7.131788|0.137233|7.581601|13.649875|36.858105| |4.076385|4.289580|3.680316|0.086879|3.283490|4.532473|3.809858|3.487282|3.752611|2.440172|2.336965|3.718941|1.931963|5.373761|0.109032|5.033025|7.892431|13.853437|36.858105| |3.998960|3.842087|3.333737|0.081621|2.882836|3.883890|3.299913|3.075536|3.342536|2.230162|2.123251|3.454904|1.797975|4.987078|0.106744|4.426239|6.804710|7.931755|13.651365|36.858105| |4.386810|4.013452|3.610215|0.089617|2.993542|3.967878|3.318676|3.102564|3.423148|2.290648|2.128597|3.486536|1.790604|5.727187|0.129343|5.003167|7.872717|6.881257|7.924260|13.710337|36.858105| |5.045604|4.807319|4.577193|0.110457|3.634253|4.803238|3.861595|3.561905|3.986095|2.603738|2.348695|3.795413|1.912538|8.051517|0.186643|7.535192|13.744432|7.987666|6.902601|7.937134|13.736796|36.858105| 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|2.906443|3.066854|3.853845|0.105946|3.560737|4.955623|4.186693|3.818930|4.083416|2.633646|2.204189|3.588589|1.764816|7.087324|0.139218|4.887470|3.768331|3.030035|2.571258|2.529765|2.911852|3.642381|3.844868|2.044555|7.601847|14.169645|36.858105| |2.524870|2.574059|3.061355|0.085279|2.820975|3.892641|3.398400|3.152998|3.343828|2.222647|1.905437|3.157212|1.574868|5.311901|0.109837|3.777591|3.181610|2.622178|2.307626|2.327715|2.691767|3.235530|3.607686|1.960175|4.959297|7.794946|13.222088|36.858105| |2.139265|2.197123|2.558750|0.070840|2.439680|3.432364|3.083638|2.854457|2.956504|1.973153|1.717804|2.854236|1.439264|4.240703|0.086003|3.113134|2.687339|2.299294|2.054031|2.060905|2.325921|2.704264|3.250143|1.771853|3.802605|5.094054|7.600269|13.459015|36.858105| |1.933219|1.950471|2.213416|0.061672|2.098249|2.920625|2.655801|2.488850|2.579633|1.751210|1.545578|2.596154|1.320663|3.578248|0.073955|2.627565|2.358599|2.048548|1.870715|1.904147|2.145300|2.427589|3.049495|1.687788|3.068985|3.943206|5.106676|7.979415|13.892056|36.858105| |1.970439|1.944022|2.175327|0.061161|2.018094|2.758656|2.496457|2.365129|2.483809|1.707743|1.512412|2.561809|1.304954|3.507183|0.074435|2.541320|2.336899|2.017994|1.865505|1.933297|2.208351|2.474471|3.110429|1.746107|2.936688|3.803521|4.540628|6.910353|7.897149|13.620473|36.858105| |2.241292|2.173642|2.437771|0.069111|2.201396|2.959481|2.638366|2.511581|2.682375|1.850214|1.626849|2.759802|1.397035|3.999653|0.087252|2.837266|2.616987|2.210068|2.036672|2.134911|2.494951|2.834636|3.401610|1.916224|3.338413|4.523376|5.101016|7.781294|6.692700|7.834806|13.861936|36.858105| |2.599801|2.550096|2.950437|0.083574|2.625588|3.521042|3.074415|2.904721|3.133289|2.129682|1.839808|3.088796|1.545230|5.060179|0.110754|3.518411|3.117368|2.551790|2.292395|2.375904|2.811352|3.336097|3.702632|2.049642|4.424328|6.782448|7.859497|13.632226|7.819954|6.912937|8.060569|13.572531|36.858105| |3.118125|2.966071|3.434403|0.098863|2.907844|3.779972|3.239433|3.092822|3.424783|2.345191|2.009263|3.381529|1.677756|6.032233|0.141130|3.972887|3.555836|2.822224|2.524526|2.649526|3.226679|3.927484|4.073396|2.256409|5.103062|8.003915|7.014726|7.972597|5.163296|4.600132|5.234395|7.891897|13.745542|53.358707| |3.071072|2.825833|3.157188|0.091645|2.655459|3.416229|2.958691|2.856246|3.172339|2.211655|1.919019|3.266909|1.631092|5.319246|0.127073|3.520646|3.304929|2.665841|2.440413|2.613509|3.206518|3.770630|4.069945|2.296222|4.232628|5.825940|5.130890|5.784963|4.238544|4.032019|4.818830|7.339897|9.221298|25.989936|0.500000| |3.865874|3.719860|4.536847|0.131489|3.642204|4.616567|3.825255|3.645877|4.144596|2.793174|2.335660|3.879743|1.893465|8.662248|0.215095|5.152347|4.345408|3.301925|2.853680|2.938109|3.598836|4.652857|4.404258|2.382746|7.553966|13.078910|7.860556|6.695626|4.471437|3.782408|3.968759|5.162956|7.815268|19.212227|0.266484|36.858105| |4.873792|4.363324|5.138331|0.153671|3.825209|4.635464|3.820597|3.713952|4.348655|2.994546|2.507178|4.195675|2.035781|9.385802|0.275723|5.175184|4.638809|3.497520|3.048339|3.181879|3.964330|5.136035|4.739193|2.566752|6.777930|8.112502|5.378933|4.685688|3.475973|3.062889|3.244595|4.090086|5.379369|11.542008|0.219301|15.596407|73.516695| |2.195792|2.073011|2.263971|0.064714|2.019090|2.675016|2.396433|2.308871|2.483863|1.742088|1.548068|2.655853|1.352137|3.623450|0.080769|2.549085|2.435607|2.077826|1.954070|2.087322|2.451675|2.707096|3.371826|1.937194|2.897945|3.708430|3.836906|4.965305|4.372214|4.984147|7.553982|12.610032|7.487024|8.984529|0.212096|4.506798|6.920427|36.858105| |2.007743|2.112783|2.472393|0.067629|2.448538|3.543669|3.243275|2.960300|2.991550|1.970834|1.720744|2.835096|1.433275|4.010918|0.078627|3.002517|2.552759|2.236061|1.983979|1.949642|2.148254|2.483045|3.084360|1.661629|3.603212|4.399523|6.380069|7.456670|12.605509|7.607505|5.013810|4.371763|4.972008|5.244569|0.090690|3.645061|5.271955|3.246354|36.858105| |17.587202|8.871486|5.452106|0.144067|4.093710|4.641150|3.961803|4.060923|4.951851|3.637129|3.461049|5.789324|2.875455|6.232846|0.139808|4.043484|4.567766|4.346353|4.114097|4.071251|4.246341|4.496433|6.231293|3.151093|3.462395|3.028364|2.511418|2.227376|1.922329|1.758078|1.795264|2.021881|2.297121|3.675726|0.074796|3.215182|6.950762|2.001862|1.814372|0.500000| |17.602503|8.699635|6.551198|0.170959|4.389235|5.028435|4.098048|4.062373|4.944331|3.452851|3.071772|5.064589|2.475578|8.779417|0.229268|5.391810|6.199800|5.021739|4.480426|4.637200|5.510047|6.605155|6.622795|3.387088|4.486655|3.996880|3.149334|2.755989|2.301336|2.081932|2.142210|2.472186|2.888727|4.834246|0.097960|4.451248|10.413969|2.433556|2.125588|0.303650|0.500000| |17.549784|8.766386|6.768918|0.212477|4.610409|4.929842|4.177278|4.379661|5.596861|4.276588|3.738272|6.384834|3.009042|7.381469|0.174603|4.163039|4.208998|3.689288|3.318817|3.305245|3.656632|4.165498|5.049970|2.636535|4.209933|3.597256|2.870874|2.511312|2.123415|1.926853|1.975191|2.257435|2.611242|4.300947|0.087281|3.910379|8.952678|2.228782|1.981933|0.302139|0.301289|0.500000| |8.785659|17.650575|8.792874|0.174813|6.706944|7.630638|5.877927|5.666302|6.966847|4.355933|3.988778|5.969421|2.900738|9.153193|0.171683|6.496476|7.029557|7.118281|5.435869|4.521384|4.491602|5.323235|6.409285|3.015875|4.467351|3.574825|2.958021|2.497071|2.155267|1.914986|1.898628|2.104372|2.453034|3.815813|0.074025|3.441467|6.939342|1.999658|2.089879|0.212510|0.207785|0.172349|0.500000| |8.912387|17.562992|9.030635|0.214551|7.293452|7.122039|5.983611|6.466887|8.920712|6.306635|5.775280|8.436776|3.849903|7.514829|0.144150|4.581104|4.442668|4.324591|3.672378|3.283492|3.327875|3.793969|4.987256|2.466818|4.148712|3.261834|2.709308|2.302893|2.000284|1.787960|1.776855|1.965169|2.272055|3.532820|0.069100|3.165254|6.448794|1.881670|1.944348|0.216772|0.172940|0.212047|0.305570|0.500000| |4.884821|6.014615|6.797316|0.230351|7.011491|6.592257|6.242899|7.891297|12.503848|17.645643|8.899392|13.470051|4.913193|6.182529|0.117284|3.528053|3.121801|2.914955|2.528328|2.347487|2.446811|2.794151|3.679255|1.894012|4.188826|3.234130|2.731043|2.311886|2.022916|1.801578|1.776807|1.949902|2.253171|3.448754|0.066870|3.059506|6.012972|1.851969|1.985080|0.118001|0.111530|0.150894|0.130591|0.205240|0.500000| |3.421574|4.112574|4.843107|0.150269|5.913740|6.341650|6.836498|9.687206|12.522153|17.642298|8.862563|13.023593|4.893820|5.028311|0.093190|3.035907|2.634747|2.495780|2.175561|2.010598|2.077485|2.353259|3.189997|1.649391|3.727605|2.934592|2.593378|2.201198|1.971019|1.750556|1.699872|1.829889|2.097232|3.105920|0.059649|2.681319|5.014013|1.717094|1.981107|0.085549|0.083445|0.101464|0.098706|0.130404|0.302236|0.500000| |3.083519|3.777127|3.857741|0.106779|4.772367|5.658976|6.555168|9.251019|9.384351|8.848063|17.543380|16.498793|7.306105|4.090743|0.076191|2.689618|2.455087|2.468300|2.194925|1.982204|1.972243|2.166090|3.196048|1.630422|2.835753|2.321582|2.097354|1.818653|1.659428|1.493143|1.450604|1.545484|1.739461|2.548989|0.049509|2.152360|4.033581|1.463470|1.682579|0.082025|0.074479|0.086618|0.097181|0.127544|0.174135|0.214821|0.500000| |4.044921|5.168739|4.712836|0.127209|5.417355|5.974822|6.181172|7.856189|9.610359|8.819927|17.484678|16.510862|7.100936|4.691852|0.088368|3.055086|2.871783|2.918042|2.594423|2.326487|2.299040|2.518023|3.722239|1.878366|3.044936|2.473880|2.179288|1.886811|1.696631|1.529140|1.500991|1.618944|1.830171|2.734237|0.053473|2.340433|4.510117|1.545893|1.693106|0.109680|0.092888|0.111508|0.129848|0.198605|0.210117|0.173425|0.301037|0.500000| |2.996372|3.308265|3.014854|0.085234|3.187319|3.787402|3.941830|4.674414|5.139511|4.718631|7.201104|16.442966|17.530641|3.312063|0.065073|2.205798|2.143048|2.183185|2.040500|1.890566|1.861726|1.969202|3.132955|1.620253|2.230535|1.917729|1.726591|1.543726|1.409545|1.295684|1.283176|1.375613|1.519573|2.251645|0.044806|1.866694|3.588052|1.335467|1.400534|0.085489|0.071187|0.085636|0.085184|0.113153|0.125720|0.116557|0.177613|0.209908|0.500000| |2.682788|2.862753|2.732624|0.080198|2.851766|3.386936|3.528912|4.194154|4.610982|4.413780|5.870251|16.882911|17.647118|3.065029|0.060820|2.007610|1.925552|1.917548|1.791784|1.689498|1.692582|1.797960|2.804528|1.472694|2.130018|1.853127|1.676609|1.510337|1.382702|1.276611|1.267419|1.357523|1.492192|2.206038|0.044039|1.814366|3.474074|1.322324|1.370428|0.074896|0.064835|0.079409|0.072364|0.093968|0.120310|0.118866|0.147665|0.145669|0.299675|0.500000| |2.553422|2.857784|2.777107|0.079139|3.067408|3.729424|4.058169|4.960094|5.158535|4.795057|7.212272|16.451081|17.542179|3.106724|0.060263|2.069596|1.962095|1.980287|1.831422|1.695571|1.681765|1.796072|2.803515|1.455710|2.166712|1.862087|1.700430|1.518760|1.399232|1.283391|1.260938|1.340445|1.479080|2.164014|0.042765|1.783870|3.365786|1.291288|1.405444|0.070604|0.062230|0.073323|0.073940|0.094064|0.118421|0.129392|0.217382|0.170808|0.299148|0.299665|0.500000| |4.298258|5.617809|6.917621|0.142395|6.846644|11.396916|7.358292|5.917689|6.376597|3.572410|3.068966|4.607867|2.256996|12.308864|0.181203|17.730137|8.843224|7.282154|4.778242|3.969313|4.170109|5.575404|5.562208|2.671170|6.619260|5.089006|4.355494|3.384530|2.897440|2.445035|2.325366|2.533613|3.075697|4.554800|0.082972|4.159808|7.327252|2.271697|2.903547|0.102728|0.124338|0.103650|0.178134|0.127798|0.099566|0.088486|0.080673|0.090344|0.063478|0.057100|0.060195|0.500000| |3.990199|4.518496|5.536590|0.128685|4.823135|7.051878|5.251021|4.524892|4.927893|2.985065|2.553277|4.002717|1.972997|12.514033|0.214620|17.649861|8.936458|5.890913|4.326692|4.003387|4.656768|6.860428|5.575837|2.781375|7.818705|7.471059|6.185360|4.615513|3.712504|3.049528|2.910005|3.250501|4.149991|6.207133|0.108286|5.827354|9.445982|2.830533|3.544368|0.094312|0.124695|0.099282|0.132295|0.102449|0.085882|0.076507|0.066775|0.073546|0.055064|0.050981|0.052411|0.303240|0.500000| |4.172244|5.187956|4.738003|0.104150|4.565406|6.799771|5.401306|4.668321|4.932284|2.989820|2.813492|4.280681|2.182234|6.772957|0.123307|7.032297|8.880788|17.697671|8.996505|5.650915|4.954915|5.661313|7.643065|3.334374|3.776309|3.278014|2.921241|2.499345|2.221957|1.968075|1.913682|2.068742|2.384468|3.527930|0.067479|3.026139|5.603387|1.928733|2.207545|0.110017|0.119504|0.095333|0.197355|0.123000|0.083525|0.072937|0.074223|0.087181|0.063502|0.055082|0.058058|0.223825|0.151402|0.500000| |3.534488|3.766512|3.229774|0.077239|2.996172|4.180541|3.623643|3.330167|3.519472|2.305138|2.257597|3.594997|1.895318|4.544127|0.090992|4.096859|5.616106|8.906739|17.746503|8.948601|5.655453|4.969885|13.521744|4.872336|2.695500|2.507956|2.279958|2.062157|1.865115|1.709427|1.698015|1.832736|2.038033|3.012398|0.059598|2.468237|4.647871|1.762642|1.821753|0.101741|0.103604|0.081734|0.130888|0.093678|0.065530|0.057225|0.059509|0.070038|0.056029|0.048728|0.050197|0.113402|0.099805|0.215677|0.500000| |3.922769|3.459892|3.162230|0.081108|2.638906|3.473766|2.958841|2.797826|3.080401|2.099461|1.955405|3.251440|1.678359|4.964687|0.114313|4.093550|5.636301|4.960749|5.627466|8.862286|17.770813|8.957843|12.490305|7.413421|3.011492|3.121875|2.753587|2.621784|2.274083|2.135713|2.238870|2.549431|2.812373|4.412434|0.092084|3.487203|6.848384|2.569807|2.070403|0.106649|0.136267|0.094463|0.103221|0.081622|0.062564|0.053449|0.050363|0.058141|0.048324|0.044469|0.043757|0.096140|0.110067|0.107632|0.124076|0.500000| |4.827594|4.433672|4.491862|0.113302|3.508198|4.572125|3.700651|3.445634|3.878767|2.564847|2.275520|3.719248|1.862571|8.352710|0.211639|6.932206|8.892865|5.652607|4.965856|5.662952|8.991869|17.694137|7.483776|3.917003|4.783336|5.163240|4.167850|3.747921|3.025063|2.712272|2.813446|3.326714|4.009545|6.767408|0.132844|5.979317|11.885597|3.181580|2.690494|0.115899|0.179039|0.116803|0.127187|0.098394|0.077221|0.065255|0.058177|0.066646|0.052739|0.049006|0.048541|0.139827|0.194639|0.123953|0.107789|0.218967|0.500000| |2.646315|2.452838|2.181537|0.056423|1.959374|2.626868|2.353444|2.249897|2.401961|1.668530|1.630873|2.742459|1.468549|3.131310|0.067324|2.541701|3.176588|3.420425|4.426315|5.893662|4.897328|3.617230|16.990669|17.668939|1.987670|1.987188|1.836665|1.768101|1.616722|1.548271|1.597397|1.735684|1.839581|2.725097|0.056577|2.099911|3.991945|1.757495|1.527312|0.078016|0.080820|0.065473|0.074476|0.062377|0.048580|0.042698|0.042750|0.048982|0.042995|0.039053|0.038638|0.065904|0.067458|0.082409|0.121759|0.145241|0.089138|0.500000| |2.790578|2.580020|2.356342|0.060803|2.086147|2.810739|2.479559|2.346728|2.513584|1.726897|1.653944|2.767266|1.462068|3.520734|0.076708|2.917058|3.725500|3.799091|4.769847|7.037494|6.700521|4.570363|16.427804|17.576448|2.237200|2.293589|2.121181|2.059773|1.867510|1.789205|1.858731|2.038240|2.164431|3.216890|0.066911|2.454808|4.627064|2.063417|1.740333|0.079331|0.088382|0.069003|0.077954|0.064063|0.050453|0.044351|0.043294|0.049240|0.042370|0.038854|0.038496|0.073603|0.079231|0.088404|0.120322|0.221958|0.113209|0.299978|0.500000| |3.268890|2.877046|2.521178|0.065588|2.186059|2.870225|2.531092|2.434800|2.651183|1.851119|1.786146|3.014145|1.594435|3.650764|0.080936|2.902093|3.718542|3.784810|4.746112|7.015152|6.700390|4.561362|16.424146|17.573697|2.272472|2.282150|2.061281|1.977551|1.771988|1.690790|1.764365|1.956981|2.094157|3.189217|0.067066|2.481280|4.851380|2.002730|1.648246|0.096678|0.103864|0.080049|0.086107|0.071598|0.054793|0.047133|0.046197|0.053643|0.046565|0.042494|0.041536|0.072952|0.076376|0.088018|0.119567|0.222864|0.113015|0.299994|0.298404|0.500000| |3.692122|4.416217|6.635782|0.168412|6.797560|9.791871|7.211398|6.231333|6.858562|3.933971|3.084726|4.754395|2.259800|12.294319|0.183487|7.223220|4.621212|3.762245|2.981888|2.754728|3.038923|3.889726|4.105185|2.099524|17.675550|8.867024|7.192730|4.660738|3.783821|3.005925|2.787311|3.053973|3.931252|5.731409|0.098396|5.540205|8.769735|2.621766|3.812904|0.085866|0.104977|0.099432|0.116280|0.107504|0.110384|0.104749|0.081067|0.084385|0.061167|0.058088|0.060463|0.201558|0.209833|0.106667|0.073627|0.076018|0.113367|0.052545|0.058653|0.058772|0.500000| |4.311883|4.851080|7.680869|0.250480|6.440088|7.370099|5.878267|5.752171|7.024173|4.473053|3.336107|5.317679|2.459637|12.399823|0.220320|5.599557|4.117824|3.338231|2.754419|2.631563|2.961065|3.732097|3.966036|2.066846|17.616275|8.962149|6.088357|4.368521|3.440440|2.849885|2.762155|3.140981|4.046959|6.421997|0.112347|6.725207|11.582574|2.786835|3.255670|0.096424|0.120638|0.124687|0.116374|0.118524|0.136014|0.120244|0.084292|0.089547|0.065810|0.064076|0.064412|0.142122|0.151777|0.091464|0.067964|0.075847|0.112982|0.051684|0.057271|0.059192|0.301437|0.500000| |2.711459|2.949996|3.731259|0.100738|3.659361|5.322064|4.560894|4.066767|4.222170|2.667081|2.232562|3.595453|1.770793|6.584653|0.122251|4.721890|3.567262|2.961365|2.493751|2.400745|2.689099|3.312412|3.668084|1.931490|7.027669|9.115467|17.727024|8.790278|6.990424|4.666194|3.941767|4.136982|5.618050|6.840975|0.110534|5.602066|7.647863|3.213020|7.297179|0.065731|0.079904|0.073942|0.079943|0.073483|0.075105|0.073520|0.059792|0.061014|0.047990|0.046478|0.047814|0.124543|0.163366|0.081437|0.062180|0.069860|0.100855|0.048576|0.055421|0.053633|0.219895|0.157494|0.500000| |1.751010|1.774387|1.995401|0.055439|1.918561|2.688691|2.478556|2.323970|2.383594|1.622376|1.444112|2.429674|1.243643|3.164762|0.064856|2.344338|2.123569|1.878022|1.727532|1.751158|1.945079|2.168986|2.831357|1.568273|2.675371|3.284011|4.123793|5.651822|8.977192|17.736159|8.916157|5.625570|4.974778|4.972040|0.091554|3.126309|4.649288|4.089464|7.054382|0.044609|0.051966|0.048425|0.048612|0.045567|0.046048|0.045203|0.038987|0.039648|0.033885|0.033426|0.033715|0.061557|0.074544|0.050489|0.044252|0.053773|0.066159|0.040259|0.046148|0.043453|0.074017|0.069578|0.110237|0.500000| |1.799111|1.765363|1.946662|0.054777|1.814034|2.476245|2.262344|2.154521|2.254820|1.562875|1.397445|2.380595|1.220752|3.078890|0.065394|2.238873|2.095410|1.836897|1.719900|1.790502|2.027756|2.226987|2.916727|1.651457|2.524898|3.143596|3.614414|4.971783|5.652055|8.929423|17.718866|9.008808|5.696348|5.736806|0.113376|3.310236|5.005472|7.025542|4.108081|0.045984|0.054098|0.050166|0.047997|0.045140|0.045111|0.043265|0.037308|0.038547|0.033377|0.033048|0.032803|0.057360|0.070026|0.048444|0.043796|0.057588|0.069506|0.042247|0.048907|0.046351|0.066908|0.066718|0.089822|0.217462|0.500000| |2.256695|2.108910|2.306776|0.067083|2.044050|2.671271|2.400077|2.336837|2.533705|1.798387|1.591934|2.752091|1.396732|3.637173|0.081767|2.487103|2.365941|2.020912|1.897603|2.020871|2.365865|2.615167|3.267901|1.875156|2.921982|3.680665|3.681562|4.536271|3.913143|4.269204|5.874364|8.801404|6.622986|8.949766|0.225515|4.596983|7.255141|17.528820|2.997247|0.056974|0.069048|0.064671|0.055793|0.053418|0.053503|0.049430|0.041618|0.043964|0.038190|0.038110|0.036926|0.061663|0.075400|0.052260|0.047629|0.068732|0.085206|0.047354|0.054844|0.054351|0.072552|0.080031|0.085758|0.099366|0.152612|0.500000| |2.313457|2.155216|2.317670|0.065654|2.041266|2.699940|2.400808|2.307506|2.492544|1.744413|1.558368|2.668778|1.361540|3.734838|0.084495|2.664653|2.610411|2.213936|2.102300|2.285872|2.732667|2.987131|3.691368|2.145358|2.892837|3.665762|3.670539|4.529418|3.911086|4.271145|5.881320|8.798409|6.608047|8.934527|0.226402|4.586822|7.270538|17.524429|2.995558|0.058792|0.072353|0.064619|0.058103|0.053917|0.051695|0.047318|0.040794|0.043561|0.037568|0.036932|0.036015|0.065176|0.082003|0.056348|0.052329|0.081127|0.099028|0.053644|0.064102|0.061862|0.072204|0.076353|0.085466|0.099438|0.152942|0.300825|0.500000| |1.955797|1.855739|2.008045|0.057202|1.816989|2.421958|2.194069|2.116579|2.257366|1.588999|1.424749|2.452379|1.257354|3.157284|0.069413|2.247487|2.163809|1.880478|1.785208|1.903719|2.200249|2.383778|3.115537|1.799510|2.507621|3.103563|3.262363|4.149973|3.938538|4.745882|7.281104|8.891639|5.555070|6.568181|0.148174|3.598148|5.668558|17.612567|3.015289|0.050091|0.059604|0.055061|0.049990|0.047229|0.046634|0.043656|0.037602|0.039491|0.034501|0.034237|0.033468|0.056453|0.068804|0.048783|0.045152|0.064188|0.076052|0.045771|0.053337|0.051444|0.064190|0.067292|0.078487|0.113680|0.224810|0.303069|0.303110|0.500000| |2.026951|2.153125|2.559343|0.070708|2.576864|3.726004|3.451702|3.164957|3.181287|2.094942|1.811143|2.981009|1.498995|4.085037|0.079092|2.971018|2.483942|2.184202|1.925827|1.876868|2.055732|2.382810|2.968805|1.592665|3.789650|4.466551|6.376847|6.599461|8.812487|5.916138|4.296189|3.913885|4.535755|5.008525|0.086711|3.598346|5.248351|2.998198|17.548230|0.050691|0.058920|0.056025|0.058611|0.055466|0.058277|0.059175|0.049345|0.049039|0.040426|0.039791|0.040937|0.080881|0.095442|0.060488|0.049284|0.054774|0.071342|0.040756|0.045928|0.044071|0.113735|0.097204|0.218292|0.153538|0.099905|0.079206|0.076532|0.077094|0.500000| |1.804697|1.888110|2.169114|0.059439|2.158501|3.118182|2.900868|2.666349|2.675565|1.781024|1.574468|2.609525|1.330148|3.439877|0.067898|2.587158|2.257552|2.013014|1.812506|1.787249|1.951354|2.211253|2.861920|1.551044|2.991635|3.533238|4.706214|5.537899|8.893896|7.358548|4.779096|3.943229|4.161243|4.468120|0.079769|3.064969|4.560523|3.017702|17.614968|0.045769|0.052873|0.049541|0.052051|0.048671|0.049689|0.049866|0.042959|0.043037|0.036125|0.035440|0.036345|0.070025|0.083043|0.055304|0.046639|0.052610|0.065968|0.039868|0.045205|0.042638|0.087400|0.076515|0.143621|0.227067|0.114362|0.077073|0.077086|0.080211|0.302774|0.500000| 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