Version2.1 2021-01-06T11:50:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE NC(=N)N3CCC(OCCC1CCCCN1C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)CC3 129353 CHEMBL309670 RHF 6-31G(d) (6D,7F) NC(=N)N3CCC(OCCC1CCCCN1C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)CC3 C01[X(C24H43N5O4)] 222 C1 581 OC(=O)CN[C@@H](C(=O)N1CCCCC1CCOC1CCN(CC1)C(=N)N)CC1CCCCC1 OC(=O)CN[C@@H](C(=O)N1CCCCC1CCOC1CCN(CC1)C(=N)N)CC1CCCCC1 NC(=N)N1CCC(CC1)OCCC2CCCCN2C(=O)[C@@H](CC3CCCCC3)NCC(O)=O InChIKey=GTVCIMQDPDVJKE-VGAJERRHSA-N InChI=1S/C24H43N5O4/c25-24(26)28-13-9-20(10-14-28)33-15-11-19-8-4-5-12-29(19)23(32)21(27-17-22(30)31)16-18-6-2-1-3-7-18/h18-21,27H,1-17H2,(H3,25,26)(H,30,31)/t19?,21-/m1/s1 InChI=1/C24H43N5O4/c25-24(26)28-13-9-20(10-14-28)33-15-11-19-8-4-5-12-29(19)23(32)21(27-17-22(30)31)16-18-6-2-1-3-7-18/h18-21,27H,1-17H2,(H3,25,26)(H,30,31)/t19?,21-/m1/s1/f/h25,30H,26H2 NC(=N)N3CCC(OCCC1CCCCN1C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)CC3 C01[X(C24H43N5O4)] 222 C01 581 OC(=O)CN[C@@H](C(=O)N1CCCCC1CCOC1CCN(CC1)C(=N)N)CC1CCCCC1 OC(=O)CN[C@@H](C(=O)N1CCCC[C@@H]1CCOC1CCN(CC1)C(=N)N)CC1CCCCC1 NC(=N)N1CCC(CC1)OCC[C@H]2CCCCN2C(=O)[C@@H](CC3CCCCC3)NCC(O)=O InChIKey=GTVCIMQDPDVJKE-TZIWHRDSSA-N InChI=1S/C24H43N5O4/c25-24(26)28-13-9-20(10-14-28)33-15-11-19-8-4-5-12-29(19)23(32)21(27-17-22(30)31)16-18-6-2-1-3-7-18/h18-21,27H,1-17H2,(H3,25,26)(H,30,31)/t19-,21-/m1/s1 InChI=1/C24H43N5O4/c25-24(26)28-13-9-20(10-14-28)33-15-11-19-8-4-5-12-29(19)23(32)21(27-17-22(30)31)16-18-6-2-1-3-7-18/h18-21,27H,1-17H2,(H3,25,26)(H,30,31)/t19-,21-/m1/s1/f/h25,30H,26H2 3562.8097438839 -1505.5911263 1-A 27214.2610 127 454 581 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.60490 -20.55309 -20.54170 -20.52359 -15.58266 -15.57126 -15.55565 -15.54963 -15.50041 -11.37082 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465.33151 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 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3.1656 5.1561 18.1947 2.2133 33.5519 5.7700 20.5232 1.1004 6.6056 6.3613 9.8025 17.2320 36.4001 151.0876 30.3919 134.5890 87.5805 5.9162 40.7466 1.4054 4.8658 5.4879 3.7531 119.6016 37.7503 22.6574 18.3835 2.6712 2.9422 44.6454 7.1967 35.9359 10.4375 7.0654 10.5345 3.9636 3.4187 1.0335 21.3386 10.1073 13.7904 1.1502 14.4394 15.1357 6.8106 10.6463 12.8792 0.1606 27.3557 6.4468 5.6281 4.8324 7.8006 10.1974 0.7534 6.5823 6.0604 10.1382 21.7771 26.2910 61.9967 17.3669 38.8025 83.1299 169.7687 69.3450 235.4300 7.9572 31.1384 1.2405 80.8594 235.0257 19.3975 27.7490 11.8323 15.5267 8.8081 7.4130 24.4691 22.8868 7.4997 0.9595 21.4465 1.1679 0.4768 12.1661 11.8184 20.8181 40.3867 7.4128 2.7764 13.7889 1.4581 9.9421 1.8910 3.0430 5.9573 100.7620 5.4511 8.3311 8.9692 0.5776 13.1617 7.7340 12.6410 7.7145 79.0242 37.7044 14.8885 80.0292 24.8742 280.4504 47.8711 18.9203 61.1763 1.3096 0.3000 1.2850 1.7649 3.0841 1.5643 2.8944 13.5425 15.7865 11.0366 15.4943 2.3002 0.5823 9.0999 12.9826 4.6192 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1642.86 1651.76 1673.54 1683.20 1694.74 1730.33 1736.97 1744.65 1748.03 1750.12 1766.80 1815.19 1820.74 1839.23 1844.45 1848.04 1862.26 1866.85 1879.01 1883.26 1886.50 1902.54 1917.07 1922.20 1950.49 1968.65 1996.18 2009.76 2012.18 2017.72 2020.95 2023.73 2027.77 2040.87 2049.57 2062.36 2085.02 2097.07 2097.87 2108.10 2115.77 2122.03 2134.56 2152.44 2163.71 2168.49 2181.75 2182.66 2191.74 2196.10 2200.95 2203.33 2205.36 2214.51 2221.14 2224.29 2233.67 2239.49 2246.08 2262.35 2267.77 2296.42 2312.98 2326.94 2335.03 2341.91 2344.24 2345.03 2352.25 2353.46 2358.74 2360.65 2364.34 2366.35 2367.12 2373.38 2373.65 2387.18 2393.75 2394.74 2421.41 2445.30 2580.70 2706.98 2743.73 2898.95 4516.76 4550.02 4553.70 4563.85 4566.13 4576.99 4581.54 4581.99 4582.54 4585.69 4598.01 4603.04 4604.49 4605.14 4616.50 4620.25 4626.88 4629.00 4632.88 4638.23 4638.93 4642.06 4644.85 4654.61 4659.02 4666.44 4668.60 4683.70 4686.36 4691.78 4695.78 4710.76 4747.07 4760.73 4787.70 4812.02 4817.07 4824.58 5440.93 5451.26 5478.97 5594.14 5828.03 0.732115 0.763610 0.764554 0.663433 -1504.859011 -1504.827517 -1504.826573 -1504.927693 3.391581D-04 MUNgauss RevisionA2.0 retrievium 06-Jan-2021 DUDE NC(=N)N3CCC(OCCC1CCCCN1C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)CC3 129353 CHEMBL309670 RHF 6-31G(d) (6D,10F) C1 465.331505 |X|Y|Z| 56.985856 31.233323 151.628925 64.623296 24 6 7 8 21 2 1 |53.358707| |18.666825|36.858105| |11.374594|15.081492|53.358707| |11.171559|13.712409|10.863005|53.358707| |9.201239|7.707964|7.205935|17.740396|36.858105| |6.780324|5.750222|6.249599|10.469875|12.444752|36.858105| |5.370824|4.845895|5.768135|8.863980|7.540262|12.495345|36.858105| |4.437947|3.821631|4.821556|6.196628|5.111843|8.074858|13.614311|73.516695| |3.648802|3.101931|4.021784|4.942776|3.903291|5.237584|7.994670|24.212698|36.858105| |3.184341|2.627580|3.472671|3.985064|3.137012|4.083305|5.182410|14.336322|12.504315|36.858105| |2.716779|2.219052|2.956553|3.342119|2.587501|3.158929|3.889851|9.083630|7.547661|12.414498|36.858105| |2.529346|2.029656|2.662536|3.079455|2.435714|2.916248|3.460352|7.593505|5.775438|7.381491|12.423371|36.858105| |2.239372|1.790256|2.369289|2.691029|2.088465|2.408357|2.813835|5.823636|4.203898|4.874747|7.574385|12.426867|36.858105| |2.086604|1.663844|2.231692|2.455045|1.878988|2.153348|2.475001|5.129125|3.569565|4.324090|6.547932|7.518700|12.436741|36.858105| |2.204201|1.776140|2.412067|2.601284|1.963113|2.269853|2.646401|5.598071|3.945519|5.005644|7.873546|6.537718|7.513303|12.429347|36.858105| |2.453886|1.985066|2.687550|2.912355|2.220076|2.646805|3.112178|6.962576|5.016240|7.499927|12.902168|7.755449|6.557395|7.721276|13.025349|53.358707| |2.404924|1.920200|2.602221|2.774563|2.130607|2.549759|2.880572|6.451008|4.268980|6.391453|7.722083|5.891558|4.931471|5.802113|7.714756|18.978848|36.858105| |2.537205|2.009129|2.695549|2.903843|2.271363|2.771409|3.060905|7.012063|4.440101|6.863830|6.875523|5.700244|4.407944|4.688901|5.415714|11.499125|15.800980|73.516695| |2.172089|1.721600|2.360253|2.445653|1.852228|2.160750|2.387708|5.118005|3.240477|4.303042|4.908619|4.114746|3.850869|4.819941|6.313231|10.319668|12.358817|14.338966|36.858105| |2.094266|1.668139|2.299985|2.370465|1.775814|2.046534|2.285341|4.817229|3.092000|3.951119|4.691819|3.907980|3.867974|5.082206|7.243096|10.006949|8.804445|10.478780|17.684152|0.500000| |1.983593|1.551539|2.110976|2.202699|1.683306|1.940971|2.101191|4.407725|2.741782|3.494749|3.966736|3.714169|3.602573|4.533960|5.047958|7.350859|7.607874|11.412344|12.400618|0.246945|36.858105| |1.809879|1.407798|1.927347|1.978540|1.499215|1.700232|1.819286|3.727037|2.273093|2.764852|3.049244|2.877863|2.869368|3.529168|3.862327|5.305209|4.858959|7.691672|7.322834|0.185536|12.415285|36.858105| |1.724882|1.348014|1.855989|1.893968|1.420217|1.593847|1.721197|3.482363|2.144051|2.548004|2.867402|2.685427|2.781959|3.510524|3.917078|4.994345|4.187850|6.354647|6.065830|0.187635|7.434783|12.404404|36.858105| |1.584831|1.231162|1.699421|1.717922|1.283436|1.423920|1.520933|3.029411|1.835590|2.124787|2.331803|2.210538|2.287108|2.768788|2.999085|3.863086|3.157097|5.018090|4.164669|0.124013|4.856964|7.483726|12.432565|36.858105| |1.500673|1.157773|1.588766|1.617406|1.216090|1.344429|1.423323|2.819273|1.697750|1.951242|2.129970|2.076540|2.152613|2.559921|2.650205|3.436330|2.807726|4.605402|3.504384|0.099552|4.330336|6.384854|7.511940|12.452209|36.858105| |1.554730|1.194269|1.631921|1.668030|1.263701|1.405396|1.476158|2.942039|1.758171|2.041760|2.199307|2.159544|2.190222|2.564819|2.630946|3.529615|2.982976|5.040390|3.702158|0.099209|4.895357|7.474287|6.449532|7.554749|12.450887|36.858105| |1.685852|1.299710|1.768627|1.827359|1.393313|1.567616|1.656780|3.350737|2.023170|2.408004|2.631253|2.595881|2.613693|3.122170|3.188363|4.330087|3.804775|6.398186|4.851965|0.124104|7.580144|12.395298|7.562429|6.469348|7.535328|12.443730|36.858105| |2.227586|1.762516|2.442668|2.463484|1.849894|2.154244|2.343102|4.991083|3.029199|3.895877|4.017464|3.332426|3.057000|3.568911|4.491966|7.361547|7.638397|11.573630|13.069534|0.263187|7.661085|6.323271|5.277474|3.996718|3.312528|3.529903|4.319209|53.358707| |2.346353|1.838850|2.537859|2.550215|1.934574|2.274870|2.412070|5.167988|3.008790|3.852425|3.679721|3.127112|2.768408|3.067036|3.628670|6.117779|6.293739|11.852520|7.571854|0.158060|6.016157|5.101851|4.054098|3.327604|2.928173|3.257392|3.925862|17.968521|36.858105| 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|5.740511|5.761957|7.326890|10.431383|6.542894|7.602136|12.445115|13.902523|6.081353|4.301920|3.436988|2.977387|2.535573|2.292204|2.503050|3.910375|2.638712|4.830742|2.254920|0.061066|1.964487|1.728956|1.661760|1.478906|1.372872|1.409041|1.564156|3.058897|2.279824|2.699869|4.694144|5.454194|36.858105| |7.066273|7.768037|8.952400|17.851777|7.887758|6.605478|7.581202|9.000360|4.214636|3.233560|2.731021|2.472271|2.168629|1.966986|2.103757|3.192077|2.180998|3.988662|1.909036|0.051923|1.698570|1.518426|1.466165|1.321972|1.236438|1.266453|1.391267|2.594523|1.937956|2.244245|3.960521|4.424725|12.434268|36.858105| |25.977088|9.661842|11.050042|8.161901|5.019295|4.061235|3.368035|5.139761|2.423788|2.157818|1.858612|1.726025|1.540166|1.448833|1.535191|2.316199|1.677220|3.134906|1.531694|0.041095|1.400802|1.287436|1.229382|1.135292|1.074545|1.112052|1.199713|2.154222|1.669424|1.923554|3.574003|3.644045|3.650317|4.323299|0.500000| |25.964986|9.453294|8.537756|10.309543|6.685886|4.614340|3.691239|5.380019|2.533696|2.204105|1.904387|1.797487|1.600319|1.482967|1.552091|2.333615|1.673710|3.133440|1.511598|0.040561|1.390081|1.269629|1.211945|1.115424|1.060236|1.097559|1.188853|2.093330|1.612362|1.842026|3.411288|3.470885|3.852898|4.886400|0.319668|0.500000| |8.228325|10.055763|25.945263|10.256509|5.021709|4.623150|4.621806|6.865067|3.250429|2.764899|2.347915|2.082050|1.852211|1.745718|1.905455|2.894256|2.037063|3.718327|1.840777|0.050085|1.629034|1.482069|1.433528|1.306636|1.214709|1.243111|1.350550|2.589690|1.958016|2.298689|4.079892|4.586098|6.500941|7.614756|0.158731|0.137409|0.500000| |7.177326|5.790002|5.860581|12.526490|17.521621|8.825252|6.788023|8.293957|3.782610|3.007870|2.544492|2.450027|2.117271|1.879858|1.937173|2.944721|2.054355|3.868924|1.783081|0.047695|1.632366|1.453365|1.381706|1.248991|1.187562|1.231258|1.357570|2.393726|1.821512|2.081637|3.799174|3.935503|5.760260|7.129903|0.114832|0.156321|0.116249|0.500000| |10.908348|7.324981|6.802588|12.410245|17.685754|8.849362|5.510025|7.520467|3.315000|2.794346|2.331623|2.216756|1.914520|1.738551|1.808018|2.773182|1.985539|3.787483|1.745267|0.046303|1.601509|1.436040|1.355351|1.232131|1.172844|1.223132|1.343080|2.388284|1.852892|2.144026|4.008765|4.022060|4.900199|5.695289|0.158768|0.229962|0.124505|0.303139|0.500000| 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|3.477232|2.908633|3.700868|4.729251|3.837805|4.950274|7.223278|16.598315|17.477720|8.767142|6.936774|6.335802|4.559705|3.627857|3.777147|6.186213|3.841416|7.089264|2.956073|0.078804|2.585247|2.152065|2.035859|1.751403|1.637319|1.694449|1.947767|3.687189|2.679093|3.046790|5.166783|5.895845|5.314368|4.003738|0.063833|0.068388|0.081818|0.108252|0.090509|0.138758|0.120189|0.228760|0.301764|0.500000| |3.178300|2.566791|3.343470|3.875869|3.151364|4.174975|4.912622|13.330459|8.921894|17.640477|8.777297|7.041028|4.544796|4.012800|4.362357|8.524691|6.135455|13.601457|4.156800|0.102190|3.538809|2.778343|2.492718|2.090224|1.948522|2.074160|2.465062|5.156055|3.940610|4.685643|7.951791|8.643869|3.888497|3.030440|0.059724|0.061289|0.072518|0.083796|0.079399|0.122078|0.115047|0.127359|0.174302|0.208175|0.500000| |3.226236|2.677534|3.617483|3.954681|3.032567|3.911008|4.824898|12.925153|8.959693|17.610555|8.819280|5.485683|4.082201|3.906299|4.797776|9.902077|6.737883|12.583037|4.693013|0.118944|3.616566|2.888545|2.662045|2.217505|2.007018|2.097146|2.460347|6.124502|4.477927|5.717657|8.624847|12.403543|4.291395|3.196833|0.061352|0.061220|0.080654|0.078968|0.075707|0.105349|0.112261|0.118587|0.216871|0.173799|0.304321|0.500000| |2.718050|2.248059|3.015730|3.407191|2.583103|3.085930|3.919523|8.714974|7.511279|8.993364|17.499214|8.954935|7.186124|6.158448|7.665698|12.803841|5.827255|8.998578|4.230935|0.119028|3.438630|2.760742|2.687527|2.216171|2.011424|2.039771|2.389431|4.866854|3.220911|3.466529|5.383889|6.863276|3.615294|2.861809|0.051651|0.053034|0.067303|0.071095|0.063961|0.084415|0.082375|0.109789|0.221068|0.194860|0.176176|0.202637|0.500000| |2.672312|2.146911|2.777462|3.320059|2.668445|3.202818|3.853811|8.277857|6.366733|6.899415|8.798417|17.542170|8.833166|5.492890|4.896499|7.620767|4.553903|8.209997|3.377400|0.089575|3.089563|2.483149|2.329672|1.963586|1.859333|1.932677|2.278762|3.905317|2.760763|2.924443|4.896588|5.371454|3.207059|2.674231|0.050199|0.053107|0.060188|0.075815|0.066805|0.094079|0.082225|0.115920|0.148190|0.222997|0.187788|0.139179|0.210271|0.500000| |2.465236|1.952590|2.555129|2.931929|2.345163|2.819161|3.214069|7.073784|4.956632|6.625128|8.885327|17.545681|8.779218|6.676130|5.718729|9.586690|6.326163|11.913253|4.345781|0.109539|4.109695|3.097832|2.791382|2.289258|2.178994|2.313212|2.835467|4.741276|3.352432|3.412082|5.662986|5.992827|2.738208|2.301624|0.046867|0.048634|0.054966|0.065092|0.060169|0.083181|0.075391|0.091238|0.117331|0.145953|0.202739|0.143176|0.175195|0.302891|0.500000| |2.262613|1.823177|2.417525|2.758523|2.117158|2.411082|2.869481|5.798216|4.251711|4.570159|6.782662|8.861781|17.494435|8.858345|6.667792|7.684513|4.189941|6.653674|3.393613|0.097144|3.108067|2.561849|2.542372|2.125596|1.987418|1.994883|2.327892|3.794651|2.520862|2.547989|4.118482|4.741248|2.634260|2.259920|0.043168|0.045025|0.052813|0.060060|0.053466|0.068034|0.063278|0.084735|0.117545|0.130324|0.113791|0.107600|0.211269|0.217536|0.173352|0.500000| |2.124310|1.681169|2.212132|2.525194|1.974929|2.250170|2.569859|5.198187|3.595376|4.026766|5.501379|8.789122|17.543406|8.823027|5.488868|6.711008|4.102698|6.816023|3.352607|0.092469|3.298693|2.685988|2.589543|2.166861|2.082697|2.129816|2.528098|3.693899|2.504977|2.473442|4.083043|4.436719|2.302779|2.010587|0.040603|0.042431|0.047648|0.056057|0.050699|0.065102|0.059334|0.075507|0.093985|0.110440|0.109397|0.095056|0.143824|0.209899|0.213440|0.303570|0.500000| |1.948061|1.550231|2.085887|2.279563|1.731007|1.950636|2.227376|4.499978|3.068142|3.534301|4.930348|5.484959|8.795891|17.527007|8.843941|7.629719|4.495319|6.642034|4.074578|0.123692|3.940679|3.267366|3.396297|2.736325|2.538886|2.481728|2.944690|4.274477|2.696218|2.552178|4.041194|4.630444|2.097219|1.828236|0.037700|0.038590|0.045283|0.048315|0.044614|0.054896|0.052696|0.063369|0.085159|0.087147|0.091271|0.090645|0.137979|0.123394|0.137022|0.217511|0.208684|0.500000| |2.019709|1.595960|2.136426|2.339762|1.803789|2.070293|2.329578|4.838334|3.260477|4.025916|5.637273|6.662941|8.844950|17.517881|8.879749|9.389777|6.104258|8.987870|5.222564|0.145695|5.406549|4.036678|3.863703|2.994355|2.822179|2.884815|3.639432|5.092922|3.243719|2.994264|4.746611|5.250681|2.138289|1.847666|0.039046|0.039869|0.046096|0.049957|0.046786|0.059102|0.056397|0.065460|0.086536|0.091556|0.108949|0.102245|0.137644|0.137521|0.192110|0.174060|0.217284|0.302840|0.500000| |2.241217|1.822865|2.487922|2.679721|1.996405|2.287097|2.714952|5.645317|4.044066|4.793831|7.243662|5.781982|6.738767|8.812976|17.552832|12.515139|5.793359|7.852785|4.959137|0.160126|3.996231|3.261769|3.399618|2.707748|2.386321|2.335422|2.738216|5.305151|3.209392|3.166845|4.783246|6.111513|2.627440|2.203531|0.043338|0.043860|0.055050|0.054896|0.050685|0.062677|0.062388|0.075421|0.119498|0.107467|0.111702|0.128564|0.238351|0.129425|0.133123|0.194480|0.138064|0.214492|0.173794|0.500000| |2.070935|1.659468|2.269380|2.400338|1.800489|2.061458|2.357491|4.916854|3.319858|4.126733|5.662080|4.883501|5.494671|8.839121|17.675142|12.322034|7.208874|8.886153|7.374721|0.276849|5.843805|4.563697|4.894587|3.563720|3.046760|2.959970|3.602938|6.809673|3.806667|3.462615|5.123203|6.382334|2.260361|1.924392|0.040341|0.040453|0.049637|0.049127|0.046457|0.057109|0.057166|0.064538|0.093558|0.087512|0.103106|0.115143|0.152335|0.107567|0.127464|0.138219|0.123499|0.212680|0.216345|0.304789|0.500000| |1.932258|1.512353|2.047627|2.164347|1.658556|1.904184|2.075887|4.327075|2.740721|3.457163|4.130932|4.074783|4.155629|5.566017|5.716159|7.620854|7.053944|10.344712|8.900069|0.215802|17.482075|8.855254|6.788755|4.530129|4.194284|4.567412|6.927117|7.625353|4.586159|3.684248|5.685996|6.042652|1.932242|1.676952|0.037780|0.037811|0.043912|0.045068|0.043693|0.054095|0.053421|0.056474|0.072740|0.073232|0.096773|0.095903|0.099741|0.092323|0.125867|0.096933|0.106705|0.133401|0.201863|0.120828|0.184565|0.500000| |2.032629|1.579584|2.136320|2.241559|1.730612|2.008614|2.144645|4.522308|2.763602|3.544410|3.856010|3.698132|3.439943|4.066339|4.329099|6.688052|7.137194|12.734469|8.879360|0.174813|17.562169|8.852184|5.462835|4.060173|3.844868|4.616103|7.109116|9.230368|6.416885|4.671480|7.329188|7.029392|1.976074|1.710964|0.039821|0.039563|0.045528|0.046512|0.045983|0.057406|0.057250|0.057388|0.071837|0.072562|0.103834|0.101020|0.090872|0.086613|0.118376|0.081839|0.089137|0.097257|0.135204|0.097526|0.129314|0.305456|0.500000| |1.837800|1.426868|1.962309|1.989623|1.503052|1.704886|1.810249|3.706129|2.223781|2.692677|2.868977|2.654426|2.585360|3.074014|3.431964|4.893988|4.531106|7.431210|6.763884|0.166296|8.915761|17.531481|8.933782|6.850691|5.696571|6.839500|8.906979|9.734180|5.999589|4.079978|6.236854|6.343009|1.729194|1.519298|0.036454|0.035672|0.041852|0.040215|0.040140|0.047785|0.049056|0.048141|0.060001|0.057873|0.075364|0.079731|0.072397|0.064543|0.079003|0.064977|0.067035|0.078903|0.094815|0.082640|0.109814|0.174398|0.212921|0.500000| |1.795107|1.411730|1.955282|1.980154|1.474511|1.657555|1.804407|3.662231|2.264678|2.696920|3.034331|2.746078|2.825156|3.567273|4.234025|5.400028|4.460577|6.554082|6.751846|0.234780|6.755741|8.799431|17.553331|8.871812|5.497576|4.844817|5.498960|8.316669|4.341159|3.409508|5.051904|5.867999|1.759279|1.542382|0.035567|0.034919|0.042176|0.039717|0.038936|0.045868|0.047159|0.048407|0.063063|0.059044|0.071952|0.079676|0.079975|0.066097|0.077832|0.072716|0.071608|0.095424|0.104992|0.103792|0.151475|0.166304|0.138767|0.215863|0.500000| |1.695638|1.326592|1.819256|1.876048|1.409610|1.578447|1.714393|3.457893|2.155535|2.548753|2.950526|2.828519|3.034363|3.969120|4.269112|5.133021|4.125565|6.181148|5.555413|0.177027|6.877071|8.833005|17.461248|8.846543|6.757501|5.652969|6.793391|6.102306|3.533983|2.876603|4.443119|4.900310|1.649962|1.458322|0.033470|0.033219|0.039062|0.038329|0.037263|0.044144|0.044401|0.046655|0.059378|0.057525|0.069009|0.072557|0.077291|0.067683|0.081240|0.076637|0.078932|0.109585|0.123104|0.101709|0.151576|0.205791|0.141341|0.174435|0.302619|0.500000| |1.598844|1.240365|1.718829|1.720108|1.281551|1.421207|1.510076|3.005335|1.801744|2.080733|2.236973|2.093650|2.126166|2.520919|2.771902|3.674578|3.038016|4.903051|4.014537|0.116932|4.482457|6.747995|8.861579|17.499370|8.860655|6.802028|5.677376|5.638653|3.507410|2.781473|4.367796|4.647761|1.474516|1.318931|0.031919|0.031169|0.036670|0.034483|0.034267|0.039477|0.040642|0.040493|0.049771|0.047412|0.056947|0.061049|0.059041|0.052029|0.060222|0.055176|0.055759|0.068410|0.074908|0.070263|0.089899|0.110992|0.107608|0.201996|0.216625|0.173805|0.500000| |1.533319|1.193473|1.651312|1.665486|1.237976|1.365175|1.463544|2.893430|1.758659|2.009110|2.216715|2.100886|2.204896|2.668485|2.890933|3.636613|2.875087|4.539548|3.667796|0.112991|4.042214|5.470972|8.825288|17.528047|8.813768|5.496627|4.847918|4.770991|2.918663|2.422308|3.811004|4.157531|1.433822|1.286752|0.030539|0.030019|0.035331|0.033544|0.032960|0.037891|0.038672|0.039621|0.048991|0.046743|0.054383|0.058103|0.059458|0.052127|0.059598|0.057686|0.058022|0.074811|0.078569|0.074025|0.095649|0.108673|0.094756|0.140398|0.213651|0.215121|0.303528|0.500000| |1.424869|1.096162|1.506864|1.525432|1.143790|1.256612|1.323893|2.601779|1.555321|1.765533|1.905717|1.857488|1.919837|2.240984|2.317688|3.020788|2.438760|4.047577|2.967087|0.084299|3.505726|4.800929|5.479580|8.815066|17.529711|8.810570|5.488156|3.926382|2.605341|2.164549|3.542446|3.612328|1.282965|1.162970|0.028423|0.027985|0.031934|0.031023|0.030730|0.035207|0.035632|0.035904|0.042660|0.041705|0.048963|0.050509|0.050364|0.046710|0.053857|0.049727|0.051792|0.062079|0.067626|0.058938|0.072917|0.094093|0.088921|0.127441|0.123482|0.138962|0.214950|0.211594|0.500000| |1.472731|1.136939|1.555570|1.595700|1.201629|1.325910|1.408568|2.782911|1.687820|1.931959|2.139010|2.118394|2.238811|2.687098|2.712249|3.434771|2.752228|4.488026|3.345980|0.096216|4.149476|5.617003|6.760294|8.852801|17.490690|8.855358|6.785298|4.147677|2.686547|2.236424|3.632120|3.747938|1.355655|1.223047|0.029227|0.028987|0.033052|0.032745|0.032134|0.037286|0.037337|0.038449|0.046180|0.045577|0.053509|0.054582|0.056315|0.052624|0.061620|0.057330|0.060718|0.075285|0.082862|0.067739|0.086600|0.118372|0.101861|0.131686|0.139288|0.198638|0.173810|0.214652|0.303298|0.500000| |1.566627|1.201037|1.646090|1.667871|1.261073|1.402031|1.464348|2.916342|1.725245|1.999278|2.114275|2.048345|2.044297|2.357530|2.461921|3.372345|2.875481|4.925460|3.579317|0.094738|4.514800|6.742231|5.667712|6.801510|8.857877|17.496695|8.852699|4.913659|3.422303|2.692625|4.453151|4.304931|1.402298|1.261415|0.031222|0.030642|0.034776|0.033979|0.034007|0.039510|0.040092|0.039372|0.046607|0.045882|0.056512|0.057654|0.054499|0.051251|0.060819|0.052052|0.054903|0.062900|0.072567|0.061285|0.076305|0.111748|0.121539|0.201665|0.127124|0.131049|0.200385|0.139528|0.214787|0.173808|0.500000| |1.487723|1.137770|1.549525|1.590087|1.208278|1.337758|1.397351|2.766964|1.646739|1.893222|2.031355|2.027893|2.062445|2.375993|2.381481|3.191457|2.658647|4.568301|3.156269|0.084334|4.080708|5.465613|4.835867|5.496361|8.811519|17.529424|8.824692|4.077323|2.838988|2.327717|3.903559|3.770678|1.329797|1.202799|0.029559|0.029263|0.032676|0.032797|0.032584|0.037937|0.037906|0.037950|0.044330|0.044421|0.053767|0.053516|0.052421|0.050872|0.060546|0.052230|0.056481|0.064253|0.074331|0.059121|0.073048|0.109833|0.111089|0.140201|0.106662|0.126523|0.139529|0.123197|0.211389|0.214723|0.303420|0.500000| |1.656065|1.277768|1.732239|1.807382|1.381362|1.550898|1.646799|3.320798|2.025874|2.400384|2.681732|2.717171|2.807782|3.407250|3.335771|4.387291|3.738123|6.216730|4.538132|0.119218|6.988260|8.831296|6.803054|5.681406|6.794280|8.860586|17.476849|5.203598|3.441774|2.774686|4.527066|4.497167|1.549179|1.380537|0.032644|0.032560|0.036765|0.037611|0.036899|0.044151|0.043645|0.044924|0.054154|0.054799|0.068155|0.066958|0.067783|0.065940|0.082643|0.068821|0.076526|0.090388|0.113424|0.078902|0.104436|0.210729|0.178246|0.174188|0.139363|0.200053|0.131457|0.127108|0.139438|0.200126|0.173810|0.215138|0.500000| |1.724090|1.322845|1.793152|1.858409|1.426454|1.610937|1.686684|3.420368|2.043171|2.439613|2.611492|2.597387|2.551602|2.957018|2.992012|4.206769|3.772101|6.662805|4.579329|0.111809|6.988320|8.813305|5.501325|4.845003|5.493015|8.828799|17.521326|5.713891|4.091376|3.160842|5.274246|4.909991|1.578555|1.404920|0.034061|0.033765|0.037883|0.038535|0.038353|0.046007|0.045831|0.045515|0.054032|0.054668|0.070705|0.069050|0.065063|0.063779|0.080283|0.062790|0.069024|0.076233|0.095949|0.071542|0.090955|0.171989|0.216977|0.214840|0.123238|0.139467|0.126911|0.106705|0.123224|0.139485|0.214819|0.212761|0.303464|0.500000| |2.308437|1.843702|2.580619|2.568112|1.904796|2.214482|2.436552|5.181828|3.151279|3.988773|4.057333|3.244806|2.982357|3.439493|4.486307|7.328969|6.772523|10.059306|9.384963|0.241192|5.713093|4.970172|4.606009|3.625951|2.976016|3.067275|3.594061|25.926970|9.494356|7.589478|8.899405|14.047032|2.382985|2.005363|0.045638|0.044082|0.056311|0.050099|0.049919|0.060289|0.064810|0.062845|0.087479|0.076998|0.103814|0.132774|0.103514|0.078453|0.091327|0.077288|0.072732|0.084952|0.096504|0.112925|0.137476|0.128175|0.141078|0.151708|0.154972|0.111533|0.104959|0.091632|0.073354|0.076729|0.087115|0.073362|0.090639|0.096122|0.500000| |2.245342|1.747591|2.427692|2.394823|1.804062|2.089264|2.184080|4.566169|2.612862|3.198485|3.053712|2.653448|2.398458|2.643362|3.068671|4.919970|4.664849|8.605395|5.666027|0.130127|4.946426|4.724558|3.845469|3.325809|2.927038|3.264021|3.747407|12.497870|17.503585|9.105242|12.618065|11.481112|2.092795|1.806500|0.044737|0.042823|0.051762|0.047093|0.048381|0.057862|0.062258|0.056056|0.069835|0.065208|0.090520|0.101858|0.076306|0.066270|0.078259|0.061466|0.061078|0.066036|0.077302|0.077111|0.090331|0.107737|0.144208|0.164420|0.113952|0.091256|0.101012|0.080821|0.073601|0.073173|0.098695|0.078885|0.089418|0.108568|0.212120|0.500000| |2.286192|1.776244|2.423601|2.478664|1.906117|2.244885|2.355442|5.042896|2.934426|3.777039|3.641998|3.229822|2.838948|3.126768|3.546055|5.949040|6.310094|13.120372|7.161742|0.144397|6.727594|5.427341|4.017245|3.295215|3.011344|3.485547|4.373411|12.362905|17.687451|8.975707|13.498710|10.705670|2.183243|1.869757|0.045029|0.043887|0.051571|0.050135|0.050949|0.063466|0.066050|0.061028|0.075998|0.073957|0.111869|0.116443|0.086716|0.078964|0.099569|0.070525|0.072408|0.075776|0.094579|0.085455|0.102162|0.139962|0.230973|0.172640|0.113347|0.098826|0.094749|0.079210|0.073820|0.077157|0.100976|0.085201|0.105792|0.133465|0.182896|0.303712|0.500000| |3.151054|2.455657|3.364017|3.343122|2.580772|3.174417|3.177494|6.945373|3.556935|4.262226|3.423221|2.917817|2.439932|2.461883|2.783204|4.764871|4.132101|8.793147|3.749590|0.089857|3.225829|2.799747|2.439249|2.139020|1.974312|2.150156|2.454239|6.009077|5.980932|10.250705|35.553891|14.897063|2.927378|2.447983|0.062027|0.058691|0.071098|0.064852|0.069544|0.087677|0.100923|0.077126|0.090365|0.084966|0.128208|0.141350|0.084326|0.076634|0.085554|0.063391|0.062037|0.060445|0.069689|0.072428|0.075050|0.079317|0.097422|0.083748|0.071219|0.063147|0.061560|0.054654|0.050587|0.051918|0.061928|0.055069|0.063464|0.072161|0.122146|0.150559|0.154970|0.500000| |4.705991|4.497957|6.012153|7.609246|4.904071|5.512913|8.779052|12.246811|6.444789|4.449340|3.698246|3.146620|2.720143|2.452657|2.705492|4.169098|2.730746|4.877186|2.330788|0.064026|2.012746|1.768763|1.718659|1.523129|1.406259|1.432299|1.591019|3.124895|2.277775|2.657435|4.506654|5.424046|17.540364|8.850448|0.085640|0.089636|0.149152|0.129190|0.107878|0.123624|0.139568|0.215224|0.224549|0.156753|0.106853|0.122494|0.112934|0.093840|0.078399|0.080158|0.067762|0.062595|0.062514|0.080697|0.067293|0.055356|0.055572|0.048848|0.050819|0.047653|0.042009|0.041225|0.036441|0.038698|0.039433|0.037455|0.043947|0.044262|0.068157|0.057848|0.060272|0.076720|0.500000| |5.928769|6.035087|8.373181|9.302281|5.715462|6.833322|8.914715|12.926624|5.517177|4.255402|3.342653|2.830447|2.414050|2.234255|2.482516|3.925094|2.701974|4.962193|2.334233|0.062979|2.013000|1.779005|1.705529|1.519917|1.403795|1.442948|1.598496|3.236806|2.436989|2.953815|5.138445|6.090321|17.543061|8.794465|0.107478|0.105914|0.217966|0.132584|0.127947|0.140055|0.201109|0.174585|0.165532|0.127372|0.107124|0.125038|0.096138|0.082436|0.073380|0.068801|0.060708|0.056685|0.058334|0.071913|0.063055|0.054324|0.056288|0.049892|0.050425|0.046622|0.042383|0.040842|0.036477|0.038272|0.040130|0.037686|0.043630|0.044857|0.070761|0.062449|0.064001|0.090671|0.302276|0.500000| 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