Version2.1 2021-01-08T10:38:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 15-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc5ccccc5n4 C39637524 RHF 6-31G(d) (6D,7F) C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc5ccccc5n4 C01[X(C27H37N4O2)] 204 C1 569 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc2c(n1)cccc2)N[C@@H]1CCC[C@@H]([C@H]1C)C O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc2c(n1)cccc2)N[C@@H]1CCC[C@@H]([C@H]1C)C C[C@H]1CCC[C@@H](NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc5ccccc5n4)[C@@H]1C InChIKey=VDACLXQMLAWTBM-YUVXSKOASA-O InChI=1S/C27H36N4O2/c1-18-6-5-9-22(19(18)2)30-25(32)21-16-31(17-27(21)12-14-28-15-13-27)26(33)24-11-10-20-7-3-4-8-23(20)29-24/h3-4,7-8,10-11,18-19,21-22,28H,5-6,9,12-17H2,1-2H3,(H,30,32)/p+1/t18-,19+,21-,22+/m0/s1 InChI=1/C27H36N4O2/c1-18-6-5-9-22(19(18)2)30-25(32)21-16-31(17-27(21)12-14-28-15-13-27)26(33)24-11-10-20-7-3-4-8-23(20)29-24/h3-4,7-8,10-11,18-19,21-22,28H,5-6,9,12-17H2,1-2H3,(H,30,32)/p+1/t18-,19+,21-,22+/m0/s1/fC27H37N4O2/h28,30H/q+1 C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc5ccccc5n4 C01[X(C27H37N4O2)] 204 C01 569 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc2c(n1)cccc2)N[C@@H]1CCC[C@@H]([C@H]1C)C C[C@H]1CCC[C@H]([C@@H]1C)[NH][C](=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][C]2[C]([N]1)[CH]=[CH][CH]=[CH]2 C[C@H]1CCC[C@@H](NC(=O)[C@@H]2CN(CC23CC[NH2]CC3)C(=O)[C]4[CH][CH][C]5C=CC=C[C]5[N]4)[C@@H]1C InChIKey=XSXBFDKUBKRYPK-YUVXSKOASA-N InChI=1S/C27H37N4O2/c1-18-6-5-9-22(19(18)2)30-25(32)21-16-31(17-27(21)12-14-28-15-13-27)26(33)24-11-10-20-7-3-4-8-23(20)29-24/h3-4,7-8,10-11,18-19,21-22H,5-6,9,12-17,28H2,1-2H3,(H,30,32)/t18-,19+,21-,22+/m0/s1 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 6660.5946 34742.8802 38636.1333 0.99995 -0.01028 0.00024 0.01028 0.99994 -0.00480 -0.00019 0.00480 0.99999 1 0.01300 0.00249 0.00224 0.27096 0.05195 0.04671 10.57 15.36 34.49 41.78 58.04 63.84 78.31 101.44 108.21 121.79 170.56 188.90 223.70 252.35 263.84 286.65 294.84 300.99 315.77 326.10 340.93 397.08 402.78 422.53 429.31 458.37 477.40 521.08 539.56 549.64 552.82 573.15 612.40 625.34 638.00 650.46 673.46 689.59 717.68 724.26 740.93 770.84 777.60 804.21 808.31 821.24 829.47 867.91 886.08 935.56 970.55 987.54 1034.64 1066.93 1154.77 1189.07 1208.63 1212.15 1216.57 1243.92 1252.41 1256.65 1261.74 1284.12 1303.09 1318.61 1355.43 1357.64 1371.22 1380.50 1391.01 1410.45 1417.18 1427.35 1469.99 1498.04 1504.72 1510.65 1522.94 1547.71 1550.46 1573.60 1576.25 1586.86 1590.87 1600.36 1611.73 1623.46 1624.03 1630.43 1632.93 1634.68 1653.95 1686.31 1688.82 1701.83 1740.37 1762.57 1782.47 1794.05 1805.00 1833.15 1836.21 1838.40 1866.95 1879.08 1888.97 1896.14 1903.94 1917.78 1942.93 1956.08 1958.78 1971.13 1993.90 2013.20 2025.73 2049.99 2064.87 2080.94 2087.92 2090.43 2098.05 2105.41 2112.82 2124.68 2141.54 2146.15 2160.53 2168.90 2186.14 2192.25 2193.83 2198.79 2218.95 2224.19 2226.77 2230.89 2241.08 2249.97 2254.18 2256.30 2260.60 2275.35 2298.14 2349.62 2353.53 2359.90 2362.71 2366.17 2368.57 2369.37 2369.61 2372.48 2376.72 2391.24 2394.69 2413.59 2420.10 2430.37 2480.15 2560.36 2604.32 2626.19 2639.01 2723.98 2775.03 4524.32 4553.94 4580.57 4581.26 4585.62 4596.14 4598.90 4611.21 4618.80 4656.35 4664.12 4664.81 4667.57 4670.51 4695.26 4698.59 4706.25 4710.93 4721.08 4723.23 4730.08 4731.94 4748.24 4750.94 4772.58 4796.06 4806.32 4844.07 4852.85 4857.27 4863.99 4872.65 4889.33 4941.81 5265.36 5367.17 5562.67 0.663012 0.691200 0.692144 0.600104 -1410.720909 -1410.692721 -1410.691777 -1410.783818 3.087070D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc5ccccc5n4 C39637524 RHF 6-31G(d) (6D,10F) C1 449.291652 |X|Y|Z| 55.408383 31.458253 135.880359 61.871255 29 6 7 25 4 |36.858105| |12.430800|36.858105| |8.918153|17.466849|0.500000| |7.584194|12.411898|0.247927|36.858105| |4.903866|7.492868|0.191171|12.481504|36.858105| |4.345449|6.424675|0.159348|7.591114|12.483756|36.858105| |4.866174|7.507711|0.190914|6.480112|7.537263|12.444377|36.858105| |4.490782|6.759277|0.202397|5.681153|6.796086|8.886461|17.615397|0.500000| |7.435411|12.306601|0.247119|7.477207|6.369670|7.443890|12.348303|0.246046|36.858105| |6.876976|8.882902|0.174744|6.838389|5.670412|6.801650|8.890969|0.174548|17.439848|0.500000| |6.252971|7.459055|0.192170|4.867149|4.329778|4.871948|7.512850|0.193809|12.422438|0.246731|36.858105| |3.788600|4.970660|0.128166|4.449831|5.000371|7.776771|12.998435|0.258563|7.712448|0.197345|6.463018|53.358707| |3.082322|3.864003|0.105586|3.531174|4.051480|5.692745|7.689373|0.208133|5.233435|0.132683|5.001583|19.405597|36.858105| |2.920567|3.680608|0.105666|3.385869|3.990532|5.250017|6.714625|0.218072|4.620917|0.112320|4.486068|11.551456|15.731166|73.516695| |2.600834|3.068175|0.082704|2.845777|3.142181|4.131692|4.975007|0.130976|3.984918|0.108199|4.002471|10.691287|12.462265|14.179209|36.858105| |2.632605|3.032545|0.081802|2.727075|2.903837|3.681710|4.603908|0.122195|3.976757|0.108122|4.287513|9.365216|9.080748|11.580271|17.497605|0.500000| |2.473314|2.860374|0.074892|2.748305|3.009749|3.962104|4.364631|0.108368|3.647514|0.105444|3.491716|8.791161|7.310984|9.327483|12.381101|0.247298|36.858105| |2.084025|2.352032|0.062536|2.276473|2.476201|3.088553|3.308189|0.085682|2.863274|0.081889|2.811066|5.981999|5.110315|7.456328|8.096676|0.188311|13.066958|53.358707| |1.974915|2.225325|0.060421|2.122517|2.309423|2.818728|3.092882|0.083425|2.677305|0.074325|2.713543|5.459170|5.011252|7.828398|8.060720|0.199574|7.895999|17.838585|36.858105| |2.183438|2.529530|0.069689|2.393119|2.664648|3.324833|3.752172|0.104188|3.083460|0.082924|3.115920|6.832496|7.295452|11.776174|12.315554|0.248389|7.834120|11.097384|12.375956|36.858105| |2.100667|2.406813|0.067874|2.230381|2.446437|2.931358|3.391542|0.098725|2.875619|0.075438|3.037591|5.761891|5.900466|11.008389|7.472515|0.201325|5.012698|6.978490|7.418124|12.385477|36.858105| |1.818502|2.055796|0.058322|1.939883|2.130769|2.476237|2.744595|0.080229|2.368356|0.062476|2.466134|4.401023|4.164686|8.033893|4.857461|0.128878|3.827513|5.677381|5.891837|7.437159|12.510153|36.858105| |1.783761|2.039060|0.058041|1.966499|2.210087|2.561720|2.741444|0.080634|2.311352|0.060832|2.330861|4.294968|4.040201|8.125243|4.406153|0.109464|3.627963|5.289963|5.017489|6.488872|7.727659|12.662495|53.358707| |1.637051|1.851826|0.052801|1.795526|2.005138|2.279060|2.407007|0.070660|2.065845|0.054571|2.083737|3.684759|3.331970|6.609656|3.584092|0.091227|3.080369|4.537388|4.170389|4.902720|5.690195|9.157252|25.697952|0.500000| |1.881294|2.174929|0.062645|2.094207|2.379909|2.748209|2.952891|0.088998|2.451880|0.063561|2.464275|4.536711|4.312656|9.280982|4.366858|0.107986|3.500386|4.841553|4.358368|5.931490|7.178126|9.212610|25.646672|0.327373|0.500000| |1.805777|2.074936|0.058123|2.038767|2.319992|2.746978|2.852782|0.081520|2.368541|0.063378|2.323972|4.566268|4.275621|8.134201|4.852810|0.113190|4.274001|6.479889|5.955522|7.427800|6.480915|7.629429|17.213494|0.254151|0.255735|36.858105| |2.080334|2.437472|0.067535|2.386581|2.750707|3.421825|3.604225|0.101148|2.874943|0.077044|2.778598|6.151283|6.228124|11.261225|7.446322|0.152749|6.189560|8.696159|7.543845|12.309306|7.509401|6.472188|10.503308|0.157939|0.199101|12.517122|36.858105| |1.919496|2.125614|0.056069|2.087306|2.241437|2.727600|2.830483|0.072736|2.529775|0.073765|2.461281|4.851246|3.857367|5.820588|5.237948|0.131968|7.907997|19.095583|7.489164|5.198525|3.800593|3.326334|4.311796|0.078563|0.080790|3.833737|4.634946|36.858105| |1.991203|2.191545|0.056965|2.175072|2.314494|2.817841|2.869553|0.072150|2.606067|0.077844|2.488334|4.850606|3.639796|5.430568|4.617365|0.117812|7.181385|11.671119|5.291682|4.221817|3.218194|2.812867|3.700649|0.068077|0.071031|3.222795|3.892885|15.858806|73.516695| |1.668505|1.823551|0.048608|1.794431|1.917273|2.262454|2.331935|0.061208|2.115474|0.061006|2.083398|3.831049|3.063057|4.854624|3.940351|0.102908|4.984831|10.378503|6.191411|4.266058|3.382915|3.169637|4.108765|0.077182|0.075342|3.614578|3.952256|12.592224|14.468112|36.858105| |1.564127|1.682254|0.044652|1.657915|1.744691|2.022623|2.074992|0.054289|1.929127|0.056152|1.905547|3.328889|2.579504|4.113410|3.176402|0.085627|3.915862|7.022163|4.371316|3.291819|2.757016|2.604098|3.369196|0.064418|0.062813|2.851900|3.062123|7.645821|12.124465|13.441800|36.858105| |1.408991|1.506159|0.040247|1.486982|1.562177|1.781925|1.821048|0.048182|1.701805|0.049146|1.688423|2.862327|2.223675|3.626485|2.665073|0.072281|3.115474|5.357180|3.618380|2.825976|2.459782|2.401739|3.125056|0.060963|0.058051|2.604292|2.682941|5.098267|8.217617|8.003723|14.047856|36.858105| |1.347751|1.447961|0.039020|1.430639|1.515163|1.721766|1.757765|0.047058|1.626797|0.046433|1.616672|2.748761|2.173814|3.610529|2.592398|0.069684|2.928292|5.078538|3.650323|2.864659|2.530792|2.559253|3.361218|0.066564|0.061490|2.811677|2.778786|4.495905|6.919710|6.987450|7.949740|13.453155|36.858105| |1.225396|1.308530|0.035410|1.294728|1.366528|1.531788|1.559088|0.042017|1.452878|0.041304|1.447383|2.397454|1.886358|3.177944|2.193753|0.059362|2.410937|3.998123|2.940980|2.416606|2.203381|2.271382|3.004100|0.060610|0.055292|2.454226|2.372275|3.369071|5.381355|4.597942|5.129217|7.641002|13.425020|36.858105| |1.176741|1.259766|0.034303|1.247422|1.322641|1.475122|1.499649|0.040764|1.390841|0.039232|1.386771|2.290288|1.817351|3.106659|2.090738|0.056335|2.243539|3.678379|2.790784|2.347127|2.179000|2.309119|3.090842|0.063505|0.056530|2.504792|2.344250|2.974037|4.719217|3.867419|3.964225|5.118805|7.905320|14.029326|36.858105| |1.225444|1.322740|0.036176|1.309478|1.400703|1.569837|1.597426|0.043683|1.464065|0.041022|1.458445|2.450433|1.975565|3.407401|2.283136|0.060835|2.416405|4.014311|3.142643|2.645015|2.457312|2.675215|3.630108|0.075420|0.065192|2.977485|2.689794|3.151447|4.869830|4.061904|3.823116|4.531200|6.829662|7.916122|13.438232|36.858105| |1.341733|1.460225|0.039869|1.443715|1.554455|1.766204|1.802659|0.049166|1.633594|0.045773|1.623494|2.810145|2.296947|3.933119|2.719444|0.071510|2.908070|5.044321|4.007123|3.238041|2.918064|3.166724|4.297145|0.087642|0.075736|3.666558|3.302630|3.955970|5.851279|5.335734|4.585328|5.130603|7.824276|6.824504|7.902621|14.028148|36.858105| |1.421624|1.544940|0.041817|1.525419|1.634452|1.876026|1.919521|0.051669|1.746276|0.049453|1.732473|3.036162|2.458145|4.103550|2.985439|0.078715|3.342619|6.080598|4.557617|3.458369|2.995253|3.082938|4.083660|0.080546|0.073028|3.527935|3.406325|5.179392|7.411603|8.348420|6.961886|7.896568|13.551269|7.812740|6.814248|7.907975|13.431237|36.858105| |1.580995|1.735721|0.046794|1.710142|1.844611|2.159860|2.221496|0.059353|1.993338|0.056579|1.969054|3.606047|2.961195|4.842616|3.755470|0.096830|4.382105|8.877593|6.392730|4.420971|3.576643|3.538760|4.658050|0.088675|0.082955|4.199331|4.277506|7.841498|9.851647|14.711635|7.959859|6.848381|7.883066|5.155446|4.588613|5.247199|7.974415|14.045163|53.358707| |17.558412|8.809944|0.210909|7.116721|4.623776|3.856843|4.059134|0.107390|5.445391|0.141656|4.696651|4.374582|2.699292|4.637665|2.302019|0.064203|2.201034|2.566466|1.794850|1.976176|1.910416|1.679856|2.261536|0.042668|0.048739|1.679739|1.909837|1.750406|3.224101|1.538389|1.447827|1.313694|1.261130|1.153308|1.111085|1.156041|1.259383|1.327359|1.994972|0.500000| |17.588831|8.700848|0.215271|5.491517|4.043328|3.760020|4.427306|0.117788|6.617976|0.164828|6.853196|4.904696|3.005360|5.093761|2.565778|0.073591|2.400597|2.778013|1.959282|2.163785|2.118579|1.830545|2.414904|0.045279|0.051943|1.774426|2.031173|1.872635|3.424443|1.637199|1.536898|1.388369|1.329807|1.211383|1.164368|1.212023|1.324799|1.401488|2.115927|0.303199|0.500000| |17.525478|8.761579|0.173527|6.724749|4.490956|4.162127|4.527859|0.111079|6.820014|0.206843|5.665502|5.044227|2.980585|4.899643|2.578351|0.072647|2.518574|2.881623|1.976608|2.149612|2.039558|1.765228|2.350114|0.044044|0.050120|1.765548|2.039625|1.973176|3.687526|1.707959|1.613061|1.447408|1.373546|1.246213|1.190138|1.233220|1.349898|1.440288|2.181706|0.301991|0.301376|0.500000| |7.029405|8.850628|0.215778|17.545229|8.844617|5.517961|4.851900|0.126934|5.470959|0.140335|4.054975|4.875541|2.986373|5.210382|2.465929|0.066047|2.380183|2.748339|1.902172|2.127894|2.011383|1.778113|2.461606|0.046301|0.053530|1.861157|2.135634|1.867920|3.447480|1.630414|1.516330|1.372292|1.325042|1.207926|1.167846|1.223762|1.340159|1.407488|2.127301|0.218515|0.144114|0.167581|0.500000| |6.974647|8.838996|0.174312|17.488718|8.859904|6.836785|5.693269|0.131661|6.737319|0.201584|4.484020|5.802750|3.344744|5.530772|2.785656|0.074253|2.783590|3.130928|2.106268|2.328430|2.138157|1.861795|2.559225|0.047773|0.054981|1.971933|2.312440|2.141005|4.033527|1.831768|1.705716|1.523636|1.453865|1.313008|1.257768|1.313122|1.446899|1.540243|2.351513|0.178786|0.140449|0.202438|0.303715|0.500000| |4.526807|6.755645|0.203222|8.854405|17.503678|8.858801|6.781971|0.199716|5.615338|0.131363|4.158141|6.252721|3.950144|7.324291|3.028900|0.078039|2.809605|3.202595|2.246542|2.630645|2.474215|2.172847|3.089863|0.057350|0.068915|2.341582|2.736341|2.112538|3.815984|1.829260|1.659176|1.496667|1.464263|1.327027|1.292991|1.375539|1.523160|1.586119|2.424374|0.121611|0.108045|0.110397|0.214790|0.173704|0.500000| |4.081096|5.470197|0.140722|8.820005|17.549887|8.847276|5.495869|0.139643|4.791162|0.126896|3.504349|5.641748|3.499824|6.134606|2.831879|0.072233|2.789811|3.184829|2.167316|2.459662|2.242177|1.988464|2.839421|0.053033|0.062007|2.215636|2.590479|2.154153|3.982025|1.858007|1.699465|1.528205|1.483342|1.342247|1.300205|1.374532|1.519996|1.595236|2.436934|0.111185|0.094703|0.107748|0.212128|0.214635|0.303569|0.500000| |3.517159|4.825656|0.128309|5.507202|8.800424|17.541105|8.879931|0.216960|5.465415|0.139914|4.073371|9.699515|6.024342|10.424299|4.334481|0.103003|4.119565|4.429405|2.991152|3.610702|3.130775|2.669353|3.867216|0.069776|0.085502|3.103563|3.922547|2.840940|5.135394|2.362748|2.081834|1.837649|1.793597|1.593143|1.542891|1.656746|1.874889|1.977538|3.112991|0.089109|0.087392|0.093543|0.123380|0.139836|0.214347|0.211275|0.500000| |4.162775|5.650482|0.132399|6.835876|8.858780|17.492243|8.868822|0.174409|6.713350|0.200358|4.488779|9.740487|5.141221|7.943561|4.047052|0.100412|4.177953|4.372241|2.828510|3.218676|2.770402|2.348941|3.282913|0.059884|0.070473|2.632716|3.282454|2.901451|5.486174|2.372381|2.136905|1.865680|1.781524|1.577051|1.506109|1.591889|1.792188|1.926683|3.030198|0.102297|0.099237|0.117360|0.140147|0.201854|0.173733|0.215091|0.302790|0.500000| |4.696488|5.437546|0.141756|4.037436|3.810235|4.537427|6.946534|0.176743|8.738881|0.209270|17.574749|10.079570|5.854239|8.781995|4.835268|0.152111|4.083278|4.389169|3.122442|3.593084|3.487864|2.740073|3.445684|0.062233|0.073618|2.524986|3.066992|2.767970|4.928488|2.311396|2.097222|1.841041|1.757004|1.560378|1.489196|1.568529|1.758543|1.890410|2.954559|0.103851|0.139428|0.125486|0.094499|0.106814|0.101314|0.088172|0.109701|0.119246|0.500000| |6.930223|6.701653|0.167166|4.460953|3.768211|4.032962|5.468918|0.140850|8.749617|0.215025|17.602746|6.657789|3.957461|6.374425|3.383017|0.101671|3.068010|3.450527|2.438256|2.712496|2.656807|2.204539|2.826837|0.052177|0.060415|2.070509|2.427515|2.271256|4.120102|1.946001|1.807885|1.610137|1.533763|1.380375|1.319145|1.376945|1.521384|1.625989|2.491439|0.140257|0.236785|0.180882|0.107060|0.118253|0.099727|0.087428|0.094690|0.107403|0.303642|0.500000| |5.671976|6.850956|0.208720|4.540685|4.169924|4.490975|6.700196|0.203191|8.772388|0.173263|17.529088|7.611679|4.755260|8.188933|3.743131|0.110596|3.164730|3.560833|2.595256|3.034737|3.068663|2.514108|3.240287|0.059262|0.070903|2.323383|2.734301|2.279874|4.036435|1.961177|1.787948|1.600045|1.548204|1.394798|1.346683|1.422874|1.579055|1.666230|2.560470|0.125588|0.179395|0.133801|0.109331|0.111117|0.117881|0.093663|0.108175|0.110145|0.301931|0.301763|0.500000| |3.717460|4.623006|0.114334|4.200806|4.480508|6.622142|9.017690|0.181036|7.138164|0.214053|6.060446|26.040160|9.461085|10.868576|7.542955|0.192407|7.386277|6.440234|4.069430|4.728054|3.883454|3.008136|3.944527|0.069824|0.082976|3.129498|4.158407|3.917572|7.204120|3.004708|2.633835|2.229639|2.104787|1.821864|1.720909|1.824535|2.093724|2.301218|3.743762|0.087056|0.097906|0.105264|0.094282|0.117894|0.110648|0.106797|0.163839|0.195784|0.199717|0.135553|0.137313|0.500000| |2.511390|2.950036|0.076674|2.934404|3.308350|4.490264|4.595988|0.111734|3.701986|0.107838|3.356868|8.913752|6.937705|9.171999|8.682010|0.174980|17.577974|12.373851|6.039950|6.383956|4.296620|3.456579|4.713162|0.082471|0.094324|4.210629|6.145200|6.901326|12.290984|4.559404|3.651118|2.947692|2.785379|2.315393|2.165868|2.334109|2.790686|3.168305|5.552910|0.062508|0.066478|0.071153|0.070136|0.083167|0.084423|0.086482|0.133812|0.135470|0.104827|0.081819|0.084675|0.204525|0.500000| |2.597302|2.945629|0.075649|2.795082|2.958305|3.837784|4.296345|0.103715|3.819357|0.114915|3.694657|8.469389|6.130320|7.939639|8.674678|0.224777|17.608015|12.341194|6.065763|5.716082|4.196456|3.276856|4.159080|0.073750|0.082512|3.455208|4.597616|7.183950|13.308356|4.633514|3.889937|3.065299|2.795250|2.315336|2.127715|2.244587|2.648014|3.074075|5.309259|0.063551|0.070183|0.074817|0.066973|0.080078|0.075604|0.075909|0.105686|0.115813|0.122041|0.091889|0.090143|0.222379|0.303338|0.500000| |1.789270|2.002420|0.054644|1.933233|2.109501|2.523838|2.698030|0.073480|2.351713|0.065203|2.365782|4.558534|4.070357|6.694180|5.707085|0.142886|5.789918|12.411925|17.729385|8.614527|6.264813|5.963055|7.218437|0.126530|0.121587|6.633852|7.069809|6.816570|8.537858|6.752155|4.583298|3.934176|4.198098|3.338384|3.220037|3.766395|5.082101|5.677631|11.313982|0.045639|0.049229|0.049689|0.048631|0.053288|0.057322|0.055677|0.075058|0.070284|0.073999|0.059672|0.063492|0.093546|0.137526|0.130187|0.500000| |1.949446|2.164216|0.058815|2.031824|2.167298|2.603525|2.916885|0.078936|2.606567|0.072438|2.722259|5.081384|4.517980|7.083392|6.961858|0.205903|6.495047|12.305868|17.495664|8.783903|7.113196|5.588711|5.980231|0.104448|0.107659|4.713439|5.505993|6.338644|8.442432|5.588446|4.251240|3.566784|3.545865|2.892058|2.724931|3.007598|3.723115|4.241687|7.549261|0.049080|0.054333|0.054283|0.050781|0.056040|0.058681|0.056197|0.075076|0.072513|0.088224|0.068725|0.072311|0.106405|0.136692|0.157201|0.302205|0.500000| |2.081308|2.341752|0.065727|2.138617|2.291252|2.712913|3.185373|0.091569|2.810253|0.074315|3.065806|5.389666|5.174360|9.089741|6.722692|0.213206|4.728251|6.655384|7.000918|8.786505|17.562163|8.991710|7.644104|0.127071|0.145125|4.884169|5.480017|3.719416|5.623717|3.346078|2.781986|2.483884|2.528220|2.204519|2.161880|2.402485|2.820886|2.936018|4.713845|0.052362|0.058978|0.056400|0.053702|0.057288|0.063974|0.058208|0.078413|0.072054|0.099715|0.075546|0.085556|0.103950|0.109034|0.116083|0.160518|0.222311|0.500000| |2.268405|2.640367|0.075759|2.416735|2.671175|3.194899|3.798666|0.115226|3.157155|0.080581|3.363937|6.313614|6.706051|14.274123|7.026532|0.188594|4.572168|5.875002|5.485218|8.860391|17.602239|8.914878|9.447697|0.145403|0.210455|5.629327|6.659180|3.307230|5.170731|2.915223|2.435723|2.184051|2.228967|1.966434|1.947704|2.174465|2.531149|2.585750|4.123671|0.057192|0.063744|0.060317|0.060439|0.063321|0.076311|0.067043|0.094963|0.081593|0.106419|0.080081|0.096982|0.112694|0.113056|0.108661|0.131452|0.145991|0.303547|0.500000| |1.695057|1.893496|0.053216|1.797799|1.958092|2.265507|2.476994|0.071025|2.173440|0.058203|2.256109|3.973522|3.630940|6.682836|4.402009|0.118382|3.711198|5.861956|6.338720|6.618404|8.709159|17.618029|12.443169|0.222138|0.181110|7.060687|5.744012|3.517831|5.173611|3.500673|2.848718|2.657912|2.892797|2.557128|2.619622|3.091169|3.724248|3.564073|5.516163|0.043589|0.047350|0.046098|0.045898|0.048413|0.054925|0.051201|0.067382|0.060686|0.069651|0.056783|0.063088|0.077400|0.092402|0.089080|0.196782|0.171057|0.212868|0.172976|0.500000| |1.763021|1.977681|0.056679|1.852625|2.016956|2.298096|2.560650|0.075911|2.248021|0.058833|2.375297|3.988590|3.664923|7.216173|4.045395|0.111419|3.230020|4.655922|4.517423|5.440517|8.775096|17.625431|12.354536|0.224189|0.221938|5.588553|4.863479|2.824664|4.351289|2.717430|2.301299|2.151820|2.286623|2.069719|2.116773|2.424386|2.784000|2.686300|4.068246|0.045435|0.049679|0.047252|0.047556|0.049113|0.057688|0.052188|0.068131|0.060144|0.072644|0.059374|0.068329|0.075458|0.081874|0.079278|0.125664|0.125164|0.211860|0.216515|0.301025|0.500000| |1.684557|1.907700|0.053057|1.873734|2.098511|2.462339|2.553270|0.071879|2.172910|0.058897|2.146946|4.089571|3.700166|6.736111|4.394530|0.105991|4.101273|6.729281|6.405155|6.601663|5.741066|7.050550|12.430313|0.222059|0.181036|17.632590|8.707771|4.116929|5.970363|4.111910|3.173337|2.932971|3.263283|2.820111|2.909195|3.574380|4.598666|4.287508|6.959024|0.043579|0.046096|0.046095|0.047688|0.050834|0.058308|0.055992|0.075834|0.066718|0.065038|0.053812|0.059151|0.079963|0.110069|0.093543|0.229106|0.140252|0.129361|0.131731|0.215836|0.144790|0.500000| |1.744221|2.007183|0.056396|2.003905|2.306978|2.691878|2.713322|0.077810|2.249089|0.060126|2.172665|4.201054|3.795248|7.344688|4.042147|0.095169|3.696473|5.418338|4.564616|5.435967|4.871204|5.591098|12.355090|0.224082|0.222132|17.626555|8.789778|3.372045|5.208108|3.211323|2.600612|2.406443|2.603517|2.312290|2.382429|2.826553|3.396344|3.210385|5.029533|0.045443|0.047321|0.047277|0.051166|0.053735|0.065047|0.062008|0.085763|0.071425|0.064452|0.053979|0.060555|0.079738|0.105481|0.084894|0.139148|0.104209|0.107567|0.126532|0.144920|0.126484|0.301251|0.500000| |2.238151|2.681478|0.075148|2.637961|3.127778|3.942812|4.128483|0.119237|3.151057|0.082617|2.990051|6.872331|7.215063|14.804982|6.973788|0.143932|5.503562|6.894462|5.531841|8.791164|6.630511|5.610213|9.430196|0.145321|0.209823|8.941957|17.625840|3.871486|6.101383|3.293877|2.659633|2.351559|2.410331|2.096132|2.075456|2.347836|2.796898|2.864370|4.717793|0.057117|0.060363|0.060258|0.065286|0.069867|0.087769|0.081093|0.130587|0.101333|0.090202|0.071396|0.082805|0.122135|0.159771|0.118250|0.141159|0.123256|0.136519|0.190426|0.131584|0.126040|0.173293|0.218010|0.500000| |2.045099|2.385815|0.065089|2.382148|2.752808|3.452584|3.489872|0.094663|2.803837|0.076834|2.647817|5.942404|5.542793|9.305184|6.684408|0.137584|6.813228|9.938937|7.216950|8.761949|5.488524|4.890766|7.649433|0.127203|0.144998|9.023325|17.587547|5.449330|8.112428|4.498810|3.398014|2.924602|3.004770|2.522729|2.464324|2.815331|3.503366|3.709411|6.552056|0.052260|0.054934|0.056324|0.059080|0.065103|0.074583|0.073228|0.110495|0.094948|0.080607|0.064910|0.071121|0.116052|0.206616|0.136795|0.194413|0.142909|0.123259|0.136990|0.129854|0.107615|0.214089|0.212180|0.303155|0.500000| |1.618532|1.729260|0.045529|1.703908|1.775923|2.058308|2.111144|0.054648|1.988411|0.058605|1.959404|3.381443|2.559837|4.032249|3.116757|0.084981|3.923786|6.607545|3.958943|3.088255|2.594571|2.402329|3.102413|0.059071|0.058701|2.594081|2.845755|7.183163|13.446610|8.835475|17.785090|8.941108|5.624465|4.127440|3.291597|3.153096|3.647342|5.006327|7.771145|0.041509|0.044109|0.046752|0.043195|0.049112|0.046551|0.048048|0.058159|0.061105|0.059913|0.051999|0.050572|0.075595|0.101887|0.113486|0.109687|0.108670|0.073250|0.064642|0.071631|0.059538|0.078154|0.066129|0.070029|0.087410|0.500000| |1.341947|1.422166|0.037949|1.405209|1.464787|1.654511|1.687233|0.044613|1.595206|0.046214|1.584757|2.619732|2.008875|3.286662|2.361825|0.064683|2.729898|4.490626|3.044534|2.459687|2.180190|2.127518|2.769995|0.054335|0.051981|2.270700|2.337984|4.134168|7.040127|5.652595|8.993281|17.716446|8.819152|6.965727|4.664921|3.925731|4.152218|5.617115|6.722712|0.034858|0.036764|0.038413|0.036177|0.040123|0.038948|0.039902|0.047075|0.048220|0.047742|0.042314|0.041694|0.056784|0.072249|0.075988|0.089924|0.084579|0.061509|0.054476|0.064730|0.053697|0.069923|0.058882|0.057919|0.070133|0.213462|0.500000| |1.178885|1.250579|0.033773|1.237912|1.298114|1.446407|1.470475|0.039536|1.382775|0.039452|1.378533|2.245879|1.747388|2.938414|2.012047|0.054850|2.213985|3.589447|2.603744|2.172994|1.994247|2.034922|2.684284|0.054094|0.049957|2.168306|2.121691|3.032917|4.991224|3.973800|4.679766|6.990721|8.836287|17.717091|8.992432|5.621561|4.926774|5.592617|5.679501|0.030873|0.032389|0.033403|0.032163|0.034983|0.034951|0.035473|0.041532|0.041495|0.041156|0.036739|0.036835|0.047594|0.059203|0.059951|0.079938|0.071918|0.055780|0.049936|0.062823|0.052024|0.067901|0.057053|0.052748|0.062493|0.110100|0.209529|0.500000| |1.103625|1.176358|0.032087|1.165766|1.232112|1.362993|1.383363|0.037699|1.289914|0.036341|1.287565|2.092662|1.651131|2.838259|1.873459|0.050707|1.991710|3.192742|2.421174|2.083380|1.961675|2.084140|2.797632|0.057918|0.051622|2.231605|2.085489|2.550331|4.122202|3.184545|3.299363|4.138731|5.621655|9.009392|17.731263|8.822855|5.646880|4.922658|4.961912|0.029045|0.030365|0.030986|0.030447|0.032634|0.033528|0.033708|0.039503|0.038590|0.038224|0.034149|0.034826|0.043577|0.053632|0.052810|0.076197|0.066125|0.054184|0.049218|0.065014|0.053793|0.070845|0.059553|0.051976|0.060439|0.078810|0.110454|0.216155|0.500000| |1.175937|1.269266|0.034877|1.257566|1.347332|1.499652|1.523735|0.041947|1.395785|0.038904|1.391454|2.316184|1.870634|3.266926|2.128884|0.056720|2.211831|3.592440|2.847138|2.475192|2.347143|2.608604|3.589441|0.076164|0.064548|2.891195|2.550508|2.749761|4.299078|3.375447|3.158211|3.608599|4.930022|5.653595|8.830877|17.722443|9.011936|5.623281|5.761573|0.030918|0.032335|0.032751|0.032774|0.034893|0.036950|0.036770|0.044065|0.041988|0.041372|0.036489|0.037934|0.047534|0.059671|0.056971|0.093784|0.075736|0.063397|0.058200|0.083360|0.066536|0.095700|0.077441|0.062546|0.073157|0.074575|0.089517|0.124074|0.214149|0.500000| 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