Version2.1 2020-12-18T15:27:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](c1ccc(c(c1)C)C)NC(=O)[C@@H]2CCC[NH+](C2)Cc3nc(no3)c4ccc(cc4)C C38891820 RHF 6-31G(d) (6D,7F) CC[C@H](c1ccc(c(c1)C)C)NC(=O)[C@@H]2CCC[NH+](C2)Cc3nc(no3)c4ccc(cc4)C C01[X(C27H35N4O2)] 198 C1 565 CC[C@H](c1ccc(c(c1)C)C)NC(=O)[C@@H]1CCC[NH+](C1)Cc1onc(n1)c1ccc(cc1)C CC[C@H](c1ccc(c(c1)C)C)NC(=O)[C@@H]1CCC[NH+](C1)Cc1onc(n1)c1ccc(cc1)C CC[C@@H](NC(=O)[C@@H]1CCC[NH+](C1)Cc2onc(n2)c3ccc(C)cc3)c4ccc(C)c(C)c4 InChIKey=HACLDOBQMNJHQY-DNQXCXABSA-O InChI=1S/C27H34N4O2/c1-5-24(22-13-10-19(3)20(4)15-22)28-27(32)23-7-6-14-31(16-23)17-25-29-26(30-33-25)21-11-8-18(2)9-12-21/h8-13,15,23-24H,5-7,14,16-17H2,1-4H3,(H,28,32)/p+1/t23-,24-/m1/s1 InChI=1/C27H34N4O2/c1-5-24(22-13-10-19(3)20(4)15-22)28-27(32)23-7-6-14-31(16-23)17-25-29-26(30-33-25)21-11-8-18(2)9-12-21/h8-13,15,23-24H,5-7,14,16-17H2,1-4H3,(H,28,32)/p+1/t23-,24-/m1/s1/fC27H35N4O2/h28,31H/q+1 CC[C@H](c1ccc(c(c1)C)C)NC(=O)[C@@H]2CCC[NH+](C2)Cc3nc(no3)c4ccc(cc4)C C01[X(C27H35N4O2)] 198 C01 565 CC[C@H](c1ccc(c(c1)C)C)NC(=O)[C@@H]1CCC[NH+](C1)Cc1onc(n1)c1ccc(cc1)C CC[C@H]([C]1[CH][CH][C]([C]([CH]1)C)C)[NH][C](=O)[C@@H]1CCC[NH](C1)C[C]1[N][C]([N]O1)[C]1[CH][CH][C]([CH][CH]1)C CC[C@@H](NC(=O)[C@@H]1CCC[NH](C[C]2[N][C]([N]O2)[C]3[CH][CH][C](C)[CH][CH]3)C1)[C]4[CH][CH][C](C)[C](C)[CH]4 InChIKey=HMXMUOBOVWFBSY-DNQXCXABSA-N InChI=1S/C27H35N4O2/c1-5-24(22-13-10-19(3)20(4)15-22)28-27(32)23-7-6-14-31(16-23)17-25-29-26(30-33-25)21-11-8-18(2)9-12-21/h8-13,15,23-24,31H,5-7,14,16-17H2,1-4H3,(H,28,32)/t23-,24-/m1/s1 InChI=1/C27H35N4O2/c1-5-24(22-13-10-19(3)20(4)15-22)28-27(32)23-7-6-14-31(16-23)17-25-29-26(30-33-25)21-11-8-18(2)9-12-21/h8-13,15,23-24,31H,5-7,14,16-17H2,1-4H3,(H,28,32)/t23-,24-/m1/s1/f/h28H 3156.5398703343 -1410.1594323 1-A 27362.8275 120 445 565 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.79356 -20.63509 -15.85567 -15.73902 -15.71023 -15.69027 -11.50040 -11.46866 -11.46276 -11.44183 -11.43751 -11.43344 -11.39028 -11.38114 -11.37083 -11.35586 -11.33972 -11.33230 -11.33222 -11.32684 -11.31478 -11.31244 -11.30567 -11.30498 -11.30300 -11.30153 -11.29889 -11.29578 -11.29503 -11.29377 -11.28966 -11.28136 -11.28097 -1.67528 -1.50710 -1.50024 -1.39728 -1.34497 -1.31706 -1.25663 -1.24777 -1.23021 -1.21122 -1.16735 -1.15568 -1.14417 -1.11316 -1.10752 -1.10102 -1.07079 -1.05931 -1.04055 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260.70 263.42 278.22 310.84 326.35 354.50 382.52 408.65 413.78 439.81 455.32 466.68 472.45 494.66 528.97 538.43 540.78 583.63 628.86 643.45 653.19 681.46 714.31 721.51 731.46 762.02 766.89 800.31 807.50 841.50 892.41 935.52 940.47 976.73 1005.96 1025.50 1111.25 1123.28 1155.80 1161.28 1179.52 1195.65 1211.93 1219.77 1230.13 1240.20 1255.12 1331.21 1340.82 1346.56 1370.18 1376.19 1400.74 1416.90 1447.52 1460.98 1482.47 1483.27 1506.87 1526.66 1535.45 1543.64 1549.80 1560.16 1571.45 1574.14 1575.72 1595.50 1607.05 1610.50 1631.47 1646.19 1662.75 1664.53 1685.62 1690.23 1701.18 1718.19 1740.43 1744.90 1749.55 1759.45 1772.01 1784.15 1788.32 1822.34 1837.90 1888.98 1892.35 1894.56 1905.09 1919.17 1924.09 1940.30 1961.12 2000.16 2023.50 2039.08 2059.31 2065.07 2086.23 2092.57 2101.48 2112.49 2134.39 2154.78 2174.18 2191.62 2199.79 2208.48 2223.79 2245.44 2250.86 2253.84 2256.90 2258.71 2265.40 2268.05 2290.55 2303.98 2338.48 2340.37 2343.58 2343.97 2346.19 2354.02 2354.69 2357.65 2359.36 2359.96 2360.47 2363.72 2370.90 2373.45 2382.58 2420.24 2432.86 2465.64 2514.60 2549.90 2552.32 2615.34 2620.58 2652.54 2783.71 4605.95 4607.12 4609.64 4614.33 4616.76 4622.13 4626.23 4649.97 4679.60 4684.20 4687.28 4704.55 4706.38 4710.91 4715.44 4717.75 4723.74 4728.01 4731.36 4732.68 4734.11 4740.50 4763.32 4803.21 4808.45 4816.36 4832.96 4835.36 4845.51 4849.69 4851.00 4889.03 4892.35 5247.79 5560.87 0.630284 0.660890 0.661834 0.560493 -1409.529149 -1409.498542 -1409.497598 -1409.598940 3.399027D-04 MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE CC[C@H](c1ccc(c(c1)C)C)NC(=O)[C@@H]2CCC[NH+](C2)Cc3nc(no3)c4ccc(cc4)C C38891820 RHF 6-31G(d) (6D,10F) C1 447.276002 |X|Y|Z| 146.726648 59.164164 48.308262 74.850788 27 6 7 8 22 4 1 |36.858105| |12.465810|36.858105| |7.426194|12.420389|36.858105| |6.997866|8.912963|17.651959|0.500000| |4.863744|7.465826|12.523845|0.249182|36.858105| |4.136409|6.097330|7.491173|0.155565|13.734997|36.858105| |3.211939|4.307753|4.998627|0.116918|7.928916|13.765062|36.858105| |2.879743|3.703856|4.398253|0.111000|6.778311|7.870782|13.719400|36.858105| |3.095199|3.956258|4.992943|0.134039|7.833529|6.841485|7.947676|13.619288|36.858105| |3.909927|5.238912|7.560780|0.206751|13.722202|8.000836|6.953549|7.926334|13.714640|36.858105| |2.614127|3.142331|3.790616|0.107981|5.005522|4.434672|5.019814|7.518996|12.603377|7.585789|36.858105| |2.353581|2.883718|3.260665|0.084614|4.408264|5.014245|7.576281|12.605900|7.512970|5.012382|6.436250|36.858105| |6.282879|7.745661|12.957879|0.259287|7.720487|6.098874|4.333547|3.765440|4.071189|5.467499|3.229612|2.918424|53.358707| |4.802770|5.214223|7.724280|0.208830|5.797919|4.668029|3.674619|3.385464|3.754358|4.862643|3.133425|2.708377|19.388581|36.858105| |4.321388|4.585675|6.712966|0.216450|5.373413|4.141153|3.415545|3.320487|3.870524|5.066064|3.360796|2.680329|11.503349|15.832160|73.516695| |3.822292|3.949020|4.970142|0.130991|4.175297|3.763111|3.123677|2.858917|3.028932|3.614885|2.606696|2.387725|10.646881|12.431111|14.329770|36.858105| |3.648722|3.897121|4.750862|0.118227|4.182082|4.010669|3.322154|2.947442|3.013761|3.514032|2.551295|2.467704|10.069615|8.815119|10.610483|17.507758|0.500000| |3.857575|3.640859|4.160574|0.112980|3.381697|3.076457|2.588861|2.382770|2.516800|2.966076|2.217843|2.033207|8.031621|7.549580|10.578468|12.388871|0.245462|36.858105| |2.991347|2.856189|3.159979|0.085588|2.732403|2.577377|2.247589|2.083032|2.162339|2.456656|1.941288|1.824418|5.616629|4.916181|7.524583|7.549342|0.188508|12.466522|36.858105| |2.564383|2.506930|2.840655|0.078478|2.548557|2.394501|2.140697|2.027532|2.118977|2.368890|1.938651|1.797391|4.863949|4.424337|7.287929|6.475785|0.157404|7.561107|12.522898|36.858105| |2.558087|2.604114|3.061793|0.083719|2.838542|2.678818|2.413489|2.293599|2.392412|2.656208|2.175465|2.025034|5.305637|4.990808|8.187363|7.610495|0.190265|6.497586|7.665040|12.629299|53.358707| |2.502519|2.579625|2.994904|0.079887|2.819206|2.737022|2.475445|2.316230|2.365815|2.597353|2.128466|2.053646|5.210863|4.639806|7.287649|7.069375|0.206955|5.913051|7.195608|9.332617|25.619230|0.500000| |3.019231|3.137104|3.917789|0.108156|3.572975|3.239605|2.844336|2.709534|2.897991|3.329716|2.587510|2.320940|7.125637|7.745830|12.650546|12.469747|0.246687|7.534367|6.505870|7.642007|17.218548|0.256126|36.858105| |2.178794|2.230135|2.601890|0.072210|2.491862|2.361688|2.194169|2.135920|2.232014|2.413363|2.086013|1.928318|4.254488|3.856973|6.773981|4.969496|0.128141|4.388976|4.985441|7.663733|17.404115|0.262233|7.680468|36.858105| |1.933470|1.977857|2.246411|0.061505|2.177314|2.117705|1.995613|1.930165|1.975570|2.097141|1.851062|1.774121|3.611109|3.101061|5.322105|3.907179|0.107695|3.612217|4.317750|6.075683|10.668515|0.220608|5.111386|12.735606|36.858105| |1.932201|1.979091|2.216061|0.059703|2.147194|2.127441|2.000829|1.904343|1.918612|2.032899|1.776446|1.752576|3.588062|2.996726|4.981268|3.838407|0.111340|3.598866|4.451120|5.732205|9.383995|0.232979|4.614582|7.733955|14.990579|53.358707| |1.695417|1.733532|1.913136|0.051713|1.872529|1.868421|1.784014|1.710449|1.713660|1.790647|1.606071|1.600366|3.016172|2.462639|4.156186|2.999598|0.086606|2.868433|3.443371|4.190436|6.312388|0.144669|3.479524|5.386122|9.228210|18.677879|36.858105| |1.598053|1.631462|1.806419|0.049384|1.775354|1.755076|1.687632|1.640921|1.657741|1.723658|1.575357|1.545078|2.807295|2.307926|3.986287|2.739384|0.077068|2.617729|3.061396|3.801836|5.710188|0.122068|3.250847|5.332515|8.888111|11.655836|14.845148|53.358707| |1.721540|1.757494|1.976784|0.054534|1.934259|1.883417|1.799995|1.762214|1.804270|1.890723|1.718753|1.644025|3.093636|2.611010|4.577966|3.124281|0.085584|2.941249|3.412213|4.520037|7.138149|0.143426|3.931265|7.905677|14.724625|11.986394|9.031382|18.707337|73.516695| |1.592246|1.627294|1.765947|0.047368|1.733900|1.754392|1.683264|1.601869|1.586036|1.647434|1.482648|1.510274|2.757813|2.193600|3.667216|2.625614|0.077283|2.547477|3.028221|3.426918|4.947554|0.114709|2.890325|3.883485|5.471100|10.312720|12.980933|10.671962|9.564322|36.858105| |1.426183|1.454732|1.566864|0.042235|1.546291|1.564978|1.515424|1.453240|1.438084|1.482016|1.357789|1.385069|2.404798|1.897028|3.210392|2.209254|0.064264|2.157585|2.505774|2.799809|3.975394|0.088825|2.415012|3.166294|4.203491|6.880876|7.672099|8.968090|7.993253|13.655141|36.858105| |1.347145|1.373165|1.462400|0.039273|1.445663|1.474244|1.432205|1.368201|1.344999|1.381255|1.268702|1.310800|2.226758|1.730317|2.917368|1.989712|0.058251|1.956469|2.245174|2.425254|3.396478|0.075828|2.121362|2.620292|3.279419|5.276813|5.086960|6.076976|6.045022|7.935022|13.835301|36.858105| |1.392164|1.420003|1.500981|0.040003|1.481247|1.523365|1.475251|1.395195|1.362216|1.401612|1.274382|1.333307|2.292467|1.761052|2.934543|2.030588|0.060306|2.004042|2.300108|2.412791|3.359375|0.076175|2.116423|2.501378|3.049297|5.025721|4.467655|5.091085|5.363053|6.812218|7.888388|13.647371|36.858105| |1.545003|1.578796|1.673064|0.044282|1.643550|1.696106|1.628521|1.525081|1.486024|1.539094|1.376075|1.443860|2.591896|1.990825|3.271943|2.340175|0.070676|2.305122|2.685120|2.782743|3.890817|0.090782|2.416241|2.816800|3.450281|6.006077|5.082400|5.368694|5.782594|7.928297|6.884278|7.969200|13.726731|36.858105| |1.669943|1.708843|1.837676|0.048733|1.798683|1.841204|1.756346|1.647510|1.616416|1.684477|1.493443|1.546518|2.890574|2.261834|3.708664|2.728970|0.082517|2.661806|3.177275|3.405360|4.856142|0.116546|2.886968|3.541047|4.596397|8.842034|7.691652|7.074202|7.427735|13.738034|7.934259|6.894216|7.896046|13.756167|36.858105| |1.290604|1.314699|1.374899|0.036618|1.359756|1.404724|1.366400|1.291830|1.256157|1.287275|1.177660|1.242216|2.075982|1.575699|2.630745|1.785969|0.052937|1.771574|1.997980|2.055325|2.837632|0.063514|1.833751|2.092758|2.457937|3.904230|3.299810|3.944378|4.332373|4.424542|5.022464|7.561161|12.623052|7.538029|5.009517|36.858105| |17.548275|8.779020|6.761532|0.208604|4.552254|3.718984|2.980135|2.769975|3.069051|3.907963|2.659164|2.279452|7.594504|4.665374|8.005593|3.643554|0.093447|3.703871|2.878305|2.521162|3.407824|0.066901|2.974036|2.159929|1.899139|2.550404|1.648904|2.135641|3.025744|1.538262|1.383688|1.302493|1.336435|1.473917|1.596837|1.237706|0.500000| |17.567432|8.815164|5.446505|0.142343|4.051993|3.647870|2.929438|2.625838|2.764788|3.353334|2.370139|2.192804|6.460191|3.800086|6.166472|3.204454|0.086772|3.288586|2.664214|2.292748|3.087043|0.062143|2.601722|1.956887|1.764503|2.415383|1.574455|2.020108|2.815885|1.493485|1.346416|1.280947|1.328296|1.468474|1.571553|1.240722|0.301955|0.500000| |17.554916|8.740858|6.657200|0.171395|4.421938|3.866006|3.021757|2.693737|2.862340|3.560329|2.432633|2.223683|9.379003|5.349929|8.126658|4.424105|0.116590|4.711004|3.521704|2.903604|3.865065|0.077207|3.337390|2.361386|2.090680|2.860489|1.826277|2.325578|3.275034|1.712347|1.522211|1.434456|1.486672|1.661871|1.805491|1.371882|0.301672|0.302142|0.500000| |8.835923|17.513942|8.815811|0.174248|6.704371|6.544645|4.532347|3.682433|3.709138|4.622511|2.924543|2.897893|9.588666|4.731497|7.120000|3.838650|0.110471|3.531394|2.837112|2.463531|3.493056|0.072047|3.026339|2.188620|1.970884|2.723140|1.755217|2.228541|3.105151|1.663876|1.484341|1.408699|1.468399|1.641035|1.766724|1.363430|0.172765|0.212807|0.209650|0.500000| |8.859599|17.567268|8.958875|0.211522|7.101530|5.856790|4.370840|3.861088|4.164066|5.416292|3.324550|3.010974|7.682704|4.228215|7.015276|3.292626|0.090169|3.043542|2.468260|2.216756|3.142851|0.063436|2.744281|2.023748|1.807094|2.451050|1.595743|2.059041|2.888690|1.502859|1.355066|1.283283|1.323483|1.459830|1.570169|1.231938|0.210607|0.213977|0.172712|0.305054|0.500000| |4.352680|6.394869|6.883826|0.139509|8.867402|17.689611|8.964600|5.630875|4.933951|5.655171|3.545940|4.106240|8.446034|4.545706|6.851260|3.833249|0.117631|3.194914|2.685480|2.436693|3.662019|0.077532|3.187182|2.334229|2.119287|2.943976|1.896625|2.398510|3.331572|1.798434|1.597955|1.513403|1.578444|1.770303|1.912863|1.458954|0.103936|0.108390|0.115555|0.219566|0.160691|0.500000| |2.882576|3.730751|4.080676|0.096582|5.650739|8.956416|17.704992|8.936048|5.649150|4.992742|4.086375|7.058290|5.065335|3.198385|5.234703|2.840974|0.085480|2.395215|2.123485|2.019670|3.084486|0.065409|2.599217|2.070693|1.918136|2.648038|1.750120|2.242980|3.088036|1.670865|1.509211|1.436659|1.488511|1.642598|1.755808|1.386434|0.073675|0.074680|0.076290|0.112926|0.104526|0.217882|0.500000| |3.937449|4.937617|7.068695|0.232003|8.947664|5.677175|4.992421|5.645865|8.952941|17.701176|7.092822|4.087376|7.075177|4.932652|9.958575|3.590247|0.093399|3.001636|2.467319|2.399668|3.623246|0.070899|3.366094|2.435207|2.089240|2.722432|1.762358|2.327987|3.363519|1.610493|1.452421|1.349043|1.361475|1.489205|1.633917|1.248910|0.114909|0.092796|0.099265|0.115838|0.141793|0.124195|0.108176|0.500000| |2.445558|2.914340|3.346898|0.094638|4.287714|3.965523|4.579806|6.664952|8.824525|5.899936|17.546316|6.490209|3.867552|2.717713|5.107722|2.300693|0.062957|1.998737|1.765252|1.753578|2.642939|0.053018|2.265280|1.865636|1.677251|2.204169|1.477099|1.972563|2.786683|1.375099|1.267197|1.191280|1.198718|1.288920|1.387978|1.114793|0.069013|0.062712|0.062725|0.076003|0.087551|0.090347|0.107666|0.153917|0.500000| |2.686103|3.158176|3.849208|0.115188|4.777606|3.986887|4.187527|5.557258|8.850862|7.328043|17.589776|4.726259|4.439490|3.236895|6.406540|2.652435|0.070590|2.275789|1.978008|1.983796|3.008691|0.059257|2.651736|2.124338|1.863674|2.412182|1.598800|2.145769|3.081157|1.467086|1.343887|1.251612|1.252729|1.350923|1.470618|1.155588|0.077658|0.067126|0.069259|0.079655|0.092679|0.090632|0.096105|0.228322|0.302108|0.500000| |2.351849|2.775634|3.336576|0.094094|4.275375|3.959593|4.580959|6.677595|8.816206|5.880878|17.542605|6.518603|4.061020|2.965867|5.641615|2.538978|0.069396|2.147214|1.907978|1.932661|2.988162|0.059810|2.586177|2.141090|1.907264|2.480271|1.654659|2.220423|3.167402|1.523189|1.397882|1.302703|1.302925|1.402848|1.525354|1.201453|0.066088|0.059455|0.061884|0.072975|0.079754|0.090176|0.107711|0.153454|0.302832|0.301954|0.500000| |2.257040|2.732641|3.014224|0.079701|3.946142|4.293997|5.891014|8.823281|6.663758|4.576064|6.497162|17.546955|3.609971|2.464443|4.388417|2.167379|0.061551|1.879494|1.688638|1.661932|2.515363|0.051727|2.105269|1.766586|1.627928|2.183316|1.473441|1.945318|2.699855|1.393733|1.285942|1.220533|1.239634|1.335304|1.423648|1.160350|0.061293|0.058991|0.058638|0.075462|0.081014|0.099825|0.153323|0.107734|0.210870|0.132960|0.173736|0.500000| |2.184209|2.618834|3.009089|0.079460|3.938829|4.284710|5.879742|8.815528|6.662160|4.572052|6.503587|17.541868|3.768402|2.647269|4.718550|2.364628|0.067556|2.002657|1.813249|1.813018|2.808921|0.057998|2.357006|1.996089|1.836335|2.451254|1.649788|2.182262|3.042675|1.548698|1.423186|1.341158|1.355812|1.463102|1.573039|1.258851|0.059265|0.056288|0.057986|0.072518|0.074761|0.099549|0.152925|0.107733|0.173091|0.133168|0.212200|0.302799|0.500000| |2.251397|2.744171|3.021819|0.077143|3.964344|4.777776|7.314776|8.853979|5.555815|4.182292|4.726509|17.588816|3.760297|2.541876|4.387445|2.289608|0.066763|1.962977|1.778861|1.743411|2.665189|0.055773|2.210074|1.859862|1.733865|2.356700|1.588625|2.075426|2.856502|1.513572|1.389933|1.323228|1.353415|1.466665|1.560647|1.266375|0.059821|0.058875|0.059500|0.078503|0.078948|0.114281|0.226745|0.096099|0.132902|0.103913|0.133339|0.302167|0.301988|0.500000| |5.793586|7.095491|8.987525|0.180991|6.600375|6.138900|4.348132|3.612940|3.700506|4.659394|2.939290|2.848032|26.044142|9.465510|10.869468|7.496655|0.232334|5.830491|4.242051|3.557091|5.257888|0.109625|4.900362|3.059350|2.665307|3.694459|2.277917|2.842989|4.034468|2.109114|1.828208|1.702307|1.771229|2.022648|2.248467|1.605319|0.134913|0.128602|0.183630|0.209951|0.144260|0.194014|0.107528|0.118750|0.072980|0.080726|0.076413|0.071409|0.074648|0.076648|0.500000| |3.885631|3.547869|4.060611|0.116347|3.256964|2.879576|2.443207|2.294775|2.473489|2.936801|2.216132|1.962888|7.333374|7.120826|11.413130|8.852802|0.173932|17.544555|8.833382|6.785352|7.716128|0.135465|6.761571|4.156917|3.353837|4.393662|2.635748|3.359972|4.989559|2.329086|2.006901|1.819427|1.843634|2.084459|2.385782|1.639766|0.108462|0.091407|0.129879|0.092340|0.083628|0.081324|0.062281|0.084930|0.055485|0.064191|0.059326|0.050876|0.053831|0.052169|0.137909|0.500000| |4.466667|4.059620|4.384990|0.115589|3.449372|3.177180|2.626964|2.374755|2.482002|2.938793|2.162995|2.018622|8.481141|6.784783|9.241483|8.816137|0.215779|17.592008|8.844296|5.512856|6.646468|0.131762|5.500291|3.558336|3.076080|4.276320|2.576999|3.187676|4.560217|2.355523|2.015234|1.857257|1.925957|2.216230|2.505807|1.724318|0.114571|0.105743|0.161629|0.111338|0.091935|0.094155|0.067885|0.081672|0.054662|0.061284|0.057596|0.052019|0.054560|0.054485|0.181535|0.303406|0.500000| |2.854784|2.649106|2.842741|0.077892|2.449881|2.310761|2.028768|1.890095|1.963878|2.220518|1.780946|1.669204|4.846067|4.079832|6.482125|5.492106|0.139035|8.808224|17.578913|8.984893|7.605431|0.145830|4.882226|4.143892|3.735275|5.226063|3.125173|3.838198|5.488457|2.809382|2.373908|2.150677|2.203637|2.539293|2.938514|1.935146|0.076942|0.071814|0.093520|0.072861|0.064209|0.066936|0.053476|0.062378|0.045381|0.050592|0.048470|0.043292|0.045974|0.045266|0.101000|0.214758|0.210152|0.500000| |2.868782|2.791980|3.043844|0.080337|2.684859|2.605669|2.281007|2.084798|2.124299|2.384703|1.892519|1.834610|5.400414|4.467067|6.665195|6.733898|0.197568|8.795851|17.523018|8.882214|9.371656|0.211000|5.679213|4.629175|4.309266|6.508559|3.668016|4.271242|6.006295|3.316998|2.689288|2.427258|2.537341|3.044482|3.628926|2.190312|0.075066|0.071928|0.093362|0.079051|0.067049|0.076737|0.060651|0.065352|0.047998|0.052932|0.051832|0.046944|0.050532|0.050194|0.118790|0.173069|0.214596|0.303957|0.500000| |2.542703|2.454396|2.790158|0.079078|2.486204|2.292136|2.054479|1.973361|2.093968|2.351411|1.940675|1.750592|4.662289|4.316430|7.540462|5.767053|0.132685|6.830979|8.793533|17.608051|12.417678|0.182140|7.041270|7.049875|5.275735|6.335870|3.640383|4.734721|7.518945|2.994160|2.529396|2.202424|2.165741|2.438514|2.913254|1.869104|0.070898|0.062977|0.079322|0.065826|0.060756|0.063967|0.053442|0.067368|0.048731|0.055835|0.053625|0.045272|0.049149|0.046805|0.091810|0.200229|0.139653|0.213885|0.173283|0.500000| |2.266472|2.219451|2.467039|0.067830|2.254546|2.153570|1.954792|1.854940|1.918507|2.108977|1.769734|1.668128|4.104124|3.567846|5.933147|4.864282|0.127121|5.492357|8.782443|17.653123|12.356410|0.225141|5.597400|7.208297|6.884743|9.254369|4.963415|5.999798|9.098279|3.983414|3.196506|2.722370|2.685563|3.107423|3.889071|2.249576|0.061731|0.057222|0.070567|0.061168|0.055148|0.061099|0.051815|0.059022|0.044809|0.050052|0.049282|0.042950|0.046864|0.045234|0.084593|0.139056|0.123248|0.212674|0.214967|0.300041|0.500000| |2.847718|3.068090|3.906828|0.106444|3.788607|3.480178|3.120943|3.003461|3.198568|3.600980|2.845013|2.570718|6.836532|6.943586|11.689199|8.788134|0.215735|5.484475|4.892050|5.595102|12.365731|0.222253|17.632486|7.206631|5.003239|6.129048|3.458697|4.433640|6.984061|2.876664|2.415558|2.121103|2.109863|2.398159|2.857671|1.829145|0.077629|0.068595|0.085200|0.082791|0.075665|0.093166|0.078870|0.099305|0.068239|0.080041|0.080360|0.063858|0.073505|0.067703|0.131211|0.138653|0.123193|0.107684|0.127813|0.144210|0.126571|0.500000| |2.979608|3.032381|3.782895|0.109556|3.404466|2.997438|2.650663|2.584269|2.834748|3.280103|2.592472|2.223198|6.517322|7.169433|14.043276|8.819451|0.173797|6.767277|5.729287|6.969410|12.344511|0.180495|17.660475|7.042306|4.602445|5.432369|3.143839|4.139234|6.637942|2.615677|2.234793|1.967281|1.943567|2.180110|2.567794|1.697723|0.083911|0.071150|0.090529|0.079290|0.074622|0.080620|0.066780|0.095429|0.062973|0.075425|0.071710|0.056707|0.062892|0.058195|0.119143|0.197881|0.138846|0.128444|0.131990|0.211786|0.143411|0.301645|0.500000| |2.166053|2.259790|2.682530|0.074539|2.635151|2.494277|2.347051|2.314340|2.427520|2.596286|2.281371|2.093467|4.323459|3.921522|7.037423|4.774706|0.124377|3.953553|4.162280|5.624886|12.306976|0.210546|7.547937|17.613926|8.999771|8.467039|4.712147|6.510760|12.094121|3.527778|2.945399|2.466117|2.353876|2.624354|3.233566|1.989897|0.059773|0.053891|0.064313|0.061429|0.057369|0.067437|0.061205|0.072602|0.056123|0.064387|0.065894|0.052926|0.060912|0.055743|0.085454|0.104804|0.091070|0.097156|0.109363|0.149270|0.143654|0.234988|0.193314|0.500000| |2.117584|2.134191|2.471662|0.069873|2.340625|2.188111|2.032327|1.997779|2.113183|2.293373|2.002499|1.808492|3.968916|3.605553|6.568473|4.444189|0.110402|4.174077|4.706060|7.377844|12.279589|0.183361|6.510965|17.636973|8.891020|8.008258|4.593519|6.557648|12.703597|3.427503|2.900686|2.423218|2.294850|2.533840|3.102191|1.944663|0.059087|0.052925|0.063607|0.057553|0.054097|0.059803|0.053078|0.065330|0.049933|0.057325|0.056862|0.046477|0.051940|0.048210|0.078057|0.115911|0.093996|0.113945|0.115924|0.223198|0.193855|0.161701|0.192364|0.301777|0.500000| |1.371700|1.397775|1.510393|0.040986|1.493258|1.501708|1.459155|1.411394|1.404336|1.443726|1.336783|1.349640|2.303248|1.827681|3.129703|2.107869|0.060485|2.055505|2.365232|2.687430|3.823471|0.083412|2.337274|3.146024|4.173219|6.358167|7.075256|10.020685|8.530570|8.886906|17.739147|8.950504|5.626468|4.959561|5.644205|4.099194|0.037186|0.035940|0.040512|0.039383|0.036303|0.042295|0.040214|0.039496|0.034656|0.036871|0.038346|0.034904|0.038685|0.037467|0.048209|0.053771|0.053036|0.062483|0.069110|0.068757|0.084863|0.065123|0.060933|0.081858|0.081548|0.500000| |1.252716|1.275385|1.353820|0.036481|1.341492|1.366292|1.333454|1.280391|1.259690|1.288628|1.195448|1.233669|2.042606|1.582782|2.687310|1.796311|0.052206|1.769773|2.006717|2.162323|3.015275|0.066289|1.913078|2.340807|2.863163|4.427995|4.138388|5.277176|5.383169|5.649457|8.977935|17.713939|8.895891|5.658062|4.962753|7.025919|0.033747|0.033191|0.036888|0.036265|0.033272|0.038839|0.037181|0.035032|0.031291|0.032782|0.034128|0.032038|0.035100|0.034590|0.043186|0.046135|0.046815|0.053802|0.059553|0.055362|0.066790|0.053228|0.049801|0.061745|0.061007|0.216768|0.500000| |1.578230|1.613176|1.693653|0.044531|1.661253|1.728043|1.654704|1.536056|1.487931|1.542944|1.369407|1.451997|2.622667|1.987009|3.236912|2.325451|0.071036|2.301172|2.655897|2.664812|3.698404|0.086510|2.342681|2.605291|3.074284|5.246516|4.137640|4.498440|5.064833|5.649886|4.958112|5.654640|8.920070|17.720246|8.948497|6.977059|0.041548|0.041859|0.047229|0.046946|0.041376|0.050565|0.046626|0.041286|0.035726|0.037239|0.038615|0.037302|0.040621|0.041171|0.057413|0.057416|0.062424|0.070001|0.084848|0.064789|0.081245|0.064436|0.058521|0.067795|0.065263|0.107640|0.124178|0.500000| |1.840387|1.886958|2.037293|0.053633|1.981437|2.031966|1.917162|1.780574|1.745767|1.834397|1.595815|1.653360|3.261685|2.555537|4.118704|3.165913|0.097954|3.072321|3.728560|3.916731|5.642780|0.142135|3.301128|3.901932|4.932509|10.005067|7.087462|6.532758|7.415556|8.913288|5.640803|4.964967|5.635468|8.936128|17.742102|4.089819|0.048577|0.047863|0.055717|0.054432|0.047731|0.059064|0.053117|0.049249|0.041024|0.043619|0.045101|0.042084|0.046520|0.046326|0.071255|0.074752|0.080209|0.093492|0.123108|0.090097|0.123148|0.090043|0.079611|0.097934|0.092752|0.124009|0.107723|0.216551|0.500000| |1.237001|1.252159|1.305236|0.034915|1.285003|1.320145|1.281604|1.215738|1.187734|1.219571|1.117713|1.168658|1.964365|1.493413|2.505317|1.686684|0.049539|1.691003|1.911360|1.968129|2.678038|0.059227|1.731824|1.980998|2.312946|3.615149|3.053602|3.731591|4.118065|3.971515|4.613341|6.747560|8.864032|5.871757|4.296533|17.555871|0.033058|0.033104|0.036523|0.035948|0.032643|0.038018|0.036007|0.033007|0.029438|0.030569|0.031619|0.030445|0.032873|0.032999|0.042016|0.043784|0.045746|0.052004|0.057694|0.050124|0.060088|0.047675|0.044917|0.052069|0.051761|0.108731|0.192148|0.151627|0.099497|0.500000| |1.322012|1.346896|1.399861|0.037106|1.382637|1.436180|1.393920|1.309170|1.267705|1.300874|1.182420|1.256707|2.114615|1.591541|2.639789|1.802095|0.053812|1.792316|2.013797|2.034149|2.798805|0.062954|1.823625|2.027290|2.342990|3.733052|3.043800|3.603530|4.053642|3.956346|4.169219|5.568415|8.837781|7.230186|4.742289|17.593683|0.035050|0.035414|0.039086|0.039015|0.035016|0.041701|0.039444|0.034944|0.031138|0.032164|0.033400|0.032596|0.035213|0.035714|0.045720|0.045841|0.048905|0.054232|0.061898|0.051181|0.061360|0.050433|0.046710|0.053587|0.052204|0.095986|0.140666|0.221608|0.113001|0.301587|0.500000| 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