Version2.1 2020-12-15T22:15:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)CCCc3ccccc3 C39631820 RHF 6-31G(d) (6D,7F) C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)CCCc3ccccc3 C01[X(C27H44N3O3)] 225 C1 583 C[C@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)CCCc1ccccc1)CCCC(O)(C)C C[C@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)CCCc1ccccc1)CCCC(O)(C)C C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)CCCc3ccccc3 InChIKey=CBVOEYNYYBNHGX-GMAHTHKFSA-O InChI=1S/C27H43N3O3/c1-21(9-8-14-26(2,3)33)29-25(32)23-19-30(20-27(23)15-17-28-18-16-27)24(31)13-7-12-22-10-5-4-6-11-22/h4-6,10-11,21,23,28,33H,7-9,12-20H2,1-3H3,(H,29,32)/p+1/t21-,23-/m0/s1 InChI=1/C27H43N3O3/c1-21(9-8-14-26(2,3)33)29-25(32)23-19-30(20-27(23)15-17-28-18-16-27)24(31)13-7-12-22-10-5-4-6-11-22/h4-6,10-11,21,23,28,33H,7-9,12-20H2,1-3H3,(H,29,32)/p+1/t21-,23-/m0/s1/fC27H44N3O3/h28-29H/q+1 C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)CCCc3ccccc3 C01[X(C27H44N3O3)] 225 C01 583 C[C@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)CCCc1ccccc1)CCCC(O)(C)C O=C(N1C[C@H](C2(C1)CC[NH2]CC2)[C]([NH][C@H](CCCC(O)(C)C)C)=O)CCC[C]1[CH][CH][CH][CH][CH]1 C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(CC12CC[NH2]CC2)C(=O)CCC[C]3[CH][CH][CH][CH][CH]3 InChIKey=SKKZRJYCBJFHJY-GMAHTHKFSA-N InChI=1S/C27H44N3O3/c1-21(9-8-14-26(2,3)33)29-25(32)23-19-30(20-27(23)15-17-28-18-16-27)24(31)13-7-12-22-10-5-4-6-11-22/h4-6,10-11,21,23,33H,7-9,12-20,28H2,1-3H3,(H,29,32)/t21-,23-/m0/s1 InChI=1/C27H44N3O3/c1-21(9-8-14-26(2,3)33)29-25(32)23-19-30(20-27(23)15-17-28-18-16-27)24(31)13-7-12-22-10-5-4-6-11-22/h4-6,10-11,21,23,33H,7-9,12-20,28H2,1-3H3,(H,29,32)/t21-,23-/m0/s1/f/h29H 3467.4055747945 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1383.07 1418.71 1439.29 1469.14 1484.72 1486.53 1510.12 1514.97 1538.53 1553.70 1558.37 1568.34 1579.66 1580.78 1589.01 1599.46 1605.74 1609.83 1622.23 1626.27 1627.99 1630.47 1635.87 1639.35 1641.04 1670.52 1686.62 1704.05 1718.86 1735.19 1764.91 1781.50 1789.82 1801.44 1823.50 1832.80 1845.40 1873.63 1883.71 1901.52 1901.73 1912.26 1935.59 1939.21 1945.35 1959.60 1974.66 1985.25 1992.15 2012.56 2034.58 2043.29 2056.27 2082.75 2089.45 2091.26 2094.40 2095.65 2099.48 2115.39 2128.94 2141.51 2154.27 2163.68 2173.17 2185.98 2198.97 2211.71 2216.92 2226.93 2232.54 2244.20 2252.35 2254.68 2257.59 2258.33 2274.35 2276.48 2284.22 2322.03 2333.00 2335.64 2348.33 2349.45 2351.08 2353.94 2359.34 2359.52 2363.20 2367.86 2369.05 2372.65 2374.12 2383.49 2387.63 2390.85 2405.55 2416.79 2431.92 2476.67 2569.37 2607.60 2626.25 2734.50 2800.33 4566.16 4577.35 4591.11 4598.77 4599.80 4602.24 4608.70 4614.95 4618.77 4630.91 4633.31 4641.59 4641.85 4643.86 4652.83 4662.32 4668.55 4687.42 4692.91 4694.02 4702.34 4706.69 4712.04 4721.10 4722.57 4730.08 4730.48 4733.71 4739.03 4744.17 4746.59 4758.14 4772.60 4797.95 4809.55 4814.02 4815.32 4841.04 4856.24 4876.62 5266.05 5365.55 5568.47 5889.40 0.742036 0.775039 0.775983 0.670343 -1435.112196 -1435.079194 -1435.078249 -1435.183889 3.543183D-04 MUNgauss RevisionA2.0 retrievium 15-Dec-2020 DUDE C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)CCCc3ccccc3 C39631820 RHF 6-31G(d) (6D,10F) C1 458.338268 |X|Y|Z| 88.324429 118.568392 38.536228 73.899186 20 6 7 18 2 |36.858105| |12.471512|36.858105| |8.909601|17.628983|0.500000| |7.493533|12.437780|0.246664|36.858105| |4.857909|7.415707|0.191406|12.446748|36.858105| |3.743453|4.847908|0.126340|7.472628|12.446251|36.858105| |2.954381|3.702331|0.100006|4.847464|7.369570|12.372883|36.858105| |2.752286|3.455705|0.098753|4.182502|6.206340|7.476096|12.485094|36.858105| |2.510141|2.968337|0.079896|3.772368|4.872092|7.582736|12.455864|7.605895|36.858105| |2.860268|3.586047|0.094819|4.448786|6.398216|7.885037|13.410580|8.122569|7.906242|73.516695| |7.728774|12.986253|0.258582|7.783071|6.358978|4.319001|3.563379|3.325826|2.835046|6.611370|53.358707| |5.748050|7.689254|0.206813|5.221017|4.840374|3.515925|3.095990|3.033280|2.501520|5.812351|19.389550|36.858105| |5.404977|6.729406|0.214697|4.575250|4.281164|3.186267|2.831841|2.874129|2.319490|5.155470|11.562883|15.748553|73.516695| |4.147236|4.973762|0.130629|3.983254|3.904366|3.056129|2.828808|2.753826|2.329457|5.558620|10.688531|12.460283|14.165449|36.858105| |4.162451|4.596856|0.116701|3.690077|3.455642|2.787468|2.554944|2.446256|2.154166|4.981878|9.365570|9.048218|11.482050|17.498810|0.500000| |3.559765|4.368690|0.112247|3.923041|4.117299|3.319745|3.186480|3.031204|2.593548|6.661292|8.794282|7.321971|9.359897|12.365230|0.247509|36.858105| |2.844673|3.309624|0.087861|3.024735|3.189516|2.713114|2.696900|2.625236|2.269139|5.615222|5.990089|5.111781|7.451750|8.141534|0.191779|13.117465|53.358707| |2.741089|3.091491|0.084110|2.724897|2.798459|2.375329|2.332634|2.319085|1.990203|4.669145|5.455600|5.007666|7.821757|8.054705|0.199959|7.879627|17.889623|36.858105| |3.255942|3.748559|0.104783|3.121125|3.160744|2.576375|2.468808|2.488881|2.070764|4.812733|6.822324|7.282568|11.752673|12.300942|0.248253|7.828172|11.050597|12.379955|36.858105| |3.142988|3.390871|0.095987|2.769701|2.703520|2.241187|2.120844|2.141767|1.817647|4.024257|5.762940|5.897520|10.940712|7.477824|0.201165|5.010694|6.987170|7.413515|12.385261|36.858105| |2.560904|2.739808|0.078931|2.321692|2.311179|1.966596|1.896977|1.947602|1.648428|3.578372|4.395252|4.156065|7.981884|4.859525|0.128976|3.829182|5.676469|5.912912|7.445719|12.512062|36.858105| |2.485530|2.730238|0.081003|2.338713|2.387791|2.028324|1.979312|2.082598|1.709326|3.704686|4.276930|4.021458|8.071728|4.397657|0.109303|3.624410|5.258132|5.029345|6.484857|7.728155|12.659702|53.358707| |2.209347|2.396804|0.070957|2.090696|2.139846|1.849984|1.819431|1.922233|1.589834|3.390637|3.670325|3.318219|6.568330|3.580013|0.091169|3.079983|4.517866|4.185886|4.904529|5.690542|9.158229|25.692976|0.500000| |2.671448|2.931893|0.088989|2.467491|2.498864|2.099978|2.025798|2.143921|1.742977|3.736546|4.502637|4.275780|9.173389|4.344204|0.107473|3.487877|4.803914|4.356296|5.908475|7.167706|9.209494|25.649708|0.327409|0.500000| |2.494119|2.845087|0.084139|2.491085|2.633805|2.230623|2.220669|2.362918|1.891494|4.231388|4.550504|4.263113|8.128295|4.846320|0.113120|4.271375|6.399390|5.965973|7.428454|6.484077|7.626387|17.218456|0.254389|0.255636|36.858105| |3.017642|3.596260|0.105832|3.074563|3.274248|2.665029|2.615134|2.748338|2.166845|5.051606|6.127195|6.210464|11.298845|7.428940|0.152542|6.179670|8.541180|7.540974|12.307478|7.520938|6.473358|10.489159|0.157835|0.198288|12.507242|36.858105| |2.423371|2.774694|0.073735|2.645306|2.836298|2.521840|2.585774|2.505237|2.223104|5.494868|4.739270|3.796828|5.775070|5.172114|0.131440|7.543919|18.968267|7.810674|5.250603|3.851539|3.396652|4.379612|0.079998|0.081440|3.891314|4.648058|36.858105| |2.139754|2.397608|0.064517|2.279089|2.422061|2.186193|2.251087|2.212026|1.974405|4.676422|3.970171|3.208164|5.074320|4.209494|0.110344|5.300015|11.650707|7.051608|4.622631|3.624046|3.379950|4.329668|0.080925|0.078835|3.805092|4.182242|15.878936|73.516695| |2.393014|2.764538|0.072373|2.760065|3.028310|2.779832|2.920656|2.742965|2.520442|6.513311|4.617463|3.460179|5.221464|4.323769|0.110938|6.494764|10.556185|5.002393|4.008484|3.090646|2.732513|3.605956|0.066742|0.069034|3.139003|3.737991|12.560659|14.147272|36.858105| |2.015501|2.279667|0.060378|2.307525|2.530564|2.411887|2.594169|2.460541|2.324951|5.694266|3.642087|2.715903|4.254031|3.231831|0.084800|4.283806|6.852522|3.829651|3.133266|2.552597|2.349983|3.131575|0.059355|0.059825|2.690002|3.019451|7.507903|12.094742|12.469831|36.858105| |1.935458|2.181617|0.057430|2.277469|2.517282|2.493174|2.738541|2.530799|2.523667|6.116072|3.392318|2.447790|3.851311|2.782319|0.073587|3.580366|5.197834|3.021715|2.621698|2.190607|2.014971|2.706128|0.051576|0.052568|2.282844|2.557522|4.888464|7.840357|7.513810|12.411640|36.858105| |1.677871|1.862012|0.049493|1.939224|2.124689|2.132960|2.349371|2.209455|2.231068|5.045394|2.833590|2.058133|3.307598|2.301484|0.061421|2.815321|4.122760|2.536241|2.221428|1.907687|1.792570|2.417294|0.046714|0.046927|2.015492|2.190404|3.754352|6.486544|4.896738|7.508299|12.581998|36.858105| |1.575279|1.753331|0.047146|1.831532|2.030713|2.057405|2.310666|2.220496|2.217905|4.901984|2.632593|1.921288|3.131435|2.114119|0.055835|2.536872|3.691619|2.321962|2.070435|1.788366|1.702993|2.332957|0.045412|0.045383|1.953984|2.093306|3.270252|5.730515|4.034473|5.627577|7.542339|13.707173|36.858105| |1.413731|1.555066|0.041982|1.618367|1.774544|1.804334|2.007853|1.945408|1.958660|4.136595|2.308743|1.689313|2.783994|1.843073|0.049076|2.153342|3.131142|2.027222|1.821418|1.603107|1.543688|2.114256|0.041522|0.041169|1.748324|1.841616|2.709807|4.859866|3.167469|4.147000|5.007722|7.890483|13.748964|36.858105| |1.346628|1.464444|0.039373|1.516826|1.637696|1.660292|1.814698|1.744195|1.777312|3.696175|2.172612|1.588421|2.617796|1.737714|0.046862|2.009559|2.929857|1.917291|1.714993|1.527015|1.471109|1.993044|0.039220|0.038784|1.627067|1.708005|2.524578|4.578414|2.902595|3.747659|4.421513|6.816618|7.933988|13.754653|36.858105| |1.408058|1.524882|0.040680|1.575191|1.684582|1.698118|1.832120|1.737748|1.783140|3.754033|2.279737|1.661858|2.716061|1.835862|0.049981|2.137917|3.129281|2.031131|1.796490|1.598128|1.526658|2.043473|0.040024|0.039707|1.660894|1.758180|2.726198|4.934153|3.176426|4.174001|5.008460|7.890655|6.894500|7.959735|13.749622|36.858105| |1.567385|1.710406|0.045324|1.769674|1.899092|1.904113|2.053782|1.925860|1.972435|4.298813|2.589769|1.881158|3.035722|2.103142|0.057172|2.511610|3.688268|2.327669|2.033990|1.781382|1.680178|2.238961|0.043475|0.043448|1.834269|1.973239|3.298783|5.852596|4.052453|5.694391|7.542900|13.702180|7.976693|6.894371|7.933961|13.754340|36.858105| |17.562841|8.813796|0.212750|6.824862|4.537145|3.664126|2.867801|2.691104|2.482909|4.792063|7.615182|4.486169|7.902148|3.397245|0.093753|3.004405|3.364668|2.391178|2.796971|2.727877|2.295027|3.076029|0.056548|0.067740|2.260124|2.666649|2.150575|3.415597|2.140251|1.836526|1.782073|1.562494|1.478437|1.335263|1.272077|1.323555|1.462562|0.500000| |17.574743|8.812261|0.214513|5.471679|4.034973|3.169510|2.611927|2.491774|2.237064|4.560023|9.574563|6.076296|10.864577|4.347439|0.123994|3.520174|3.906682|2.858857|3.479549|3.509914|2.818325|3.669212|0.066175|0.081400|2.633264|3.163038|2.414525|3.828471|2.326020|1.961892|1.858159|1.619184|1.521012|1.370131|1.308696|1.368711|1.519003|0.301386|0.500000| |17.538691|8.781080|0.173613|6.792063|4.475245|3.619632|2.869162|2.600948|2.478913|5.023525|9.422309|5.079332|8.023775|3.985227|0.115561|3.535120|3.852007|2.688871|3.089241|2.966430|2.418443|3.140753|0.057297|0.067697|2.324551|2.794244|2.436796|3.815317|2.435347|2.051343|1.983783|1.715257|1.595786|1.431669|1.371372|1.443989|1.612785|0.301318|0.300608|0.500000| |7.049519|8.940453|0.212080|17.536466|8.838801|6.874921|4.464812|3.938306|3.668747|6.899550|7.690738|4.224926|7.007020|3.307967|0.086589|3.214955|3.520809|2.379128|2.707033|2.471734|2.115098|2.915078|0.053779|0.063142|2.249672|2.696080|2.300281|3.589339|2.390692|2.048564|2.038095|1.766450|1.682254|1.502074|1.411925|1.459620|1.623291|0.211142|0.142960|0.173731|0.500000| |6.839226|8.852914|0.174070|17.474981|8.817210|6.837008|4.593875|3.758151|3.728704|7.854678|9.593612|4.730512|7.118150|3.861547|0.102834|3.930299|4.123107|2.685896|2.985089|2.649960|2.216286|2.983688|0.054661|0.063383|2.329704|2.852604|2.682805|4.089654|2.853134|2.381593|2.379105|2.013080|1.877946|1.656186|1.561661|1.635657|1.848139|0.168295|0.140192|0.202935|0.304661|0.500000| |4.476999|6.751362|0.170659|8.833653|17.577526|8.908824|7.045673|5.962254|4.600372|13.288316|9.687310|5.477605|8.107149|4.601913|0.109592|5.196670|5.218494|3.231320|3.617021|2.964202|2.502427|3.505896|0.063556|0.073874|2.910140|3.735085|3.370876|4.978294|3.653192|2.946689|2.897006|2.382629|2.256305|1.941630|1.782035|1.840924|2.102553|0.111060|0.107287|0.117621|0.173453|0.211000|0.500000| |4.569860|6.875653|0.209584|8.890928|17.530924|8.825939|6.504478|6.677079|4.440341|9.681536|7.816795|4.778072|8.028660|3.762415|0.091011|3.821157|4.144854|2.744205|3.169394|2.736162|2.370944|3.413122|0.062458|0.073912|2.771499|3.422614|2.695903|4.152570|2.806456|2.375060|2.332991|1.997639|1.934745|1.702490|1.566349|1.598022|1.785535|0.121905|0.109375|0.111630|0.211560|0.173663|0.303919|0.500000| |3.609315|4.463326|0.120271|6.633596|8.828251|17.522141|8.825925|6.711408|7.033155|10.115664|5.146597|3.147247|5.239988|2.709295|0.069403|2.850442|3.244067|2.136617|2.330812|2.073957|1.839795|2.593330|0.048606|0.055191|2.066925|2.422298|2.219002|3.477475|2.403227|2.122790|2.189087|1.911436|1.859214|1.653213|1.528330|1.555971|1.724176|0.102503|0.084931|0.095610|0.198423|0.162957|0.174482|0.216809|0.500000| |3.721801|4.590838|0.113739|7.109755|8.868651|17.485851|8.914834|5.499292|7.058055|12.781091|5.684718|3.338500|5.279041|2.968652|0.076954|3.262201|3.631176|2.318132|2.472153|2.162514|1.889046|2.609532|0.048657|0.054770|2.091374|2.487726|2.502864|3.850210|2.802673|2.437259|2.559717|2.181630|2.076453|1.820796|1.688878|1.742908|1.963211|0.100487|0.086682|0.104464|0.180516|0.214027|0.206428|0.173993|0.304147|0.500000| |2.720651|3.352987|0.097730|4.052435|5.668106|6.853758|8.794475|17.555532|6.786584|10.246212|4.220945|2.832144|4.883585|2.524860|0.062958|2.691337|3.195086|2.119767|2.298917|2.021639|1.849690|2.699273|0.051114|0.057251|2.211500|2.533460|2.225502|3.537736|2.391483|2.162581|2.213609|1.963628|1.975548|1.757656|1.590249|1.583067|1.737027|0.075626|0.068344|0.070677|0.111498|0.099285|0.139854|0.179730|0.200472|0.140291|0.500000| |2.394835|2.921720|0.083135|3.410918|4.669332|5.471421|8.854337|17.578736|7.084619|12.920100|3.921884|2.691122|4.549701|2.518719|0.062503|2.804436|3.407545|2.211904|2.327090|2.005838|1.850463|2.700889|0.051332|0.056218|2.265423|2.581364|2.445794|3.882658|2.701766|2.489045|2.592455|2.296082|2.354302|2.064293|1.828437|1.799740|1.982861|0.064944|0.061126|0.063508|0.089615|0.087707|0.130702|0.135936|0.139505|0.123893|0.300603|0.500000| |2.951781|3.829868|0.112105|4.449644|6.849805|6.710780|8.799817|17.584969|5.517238|13.226657|5.130803|3.505047|5.921575|3.147104|0.075792|3.458417|4.024093|2.608360|2.850309|2.409147|2.179047|3.211527|0.059932|0.067704|2.723810|3.235536|2.767840|4.306511|2.976478|2.610232|2.611659|2.252473|2.252037|1.961041|1.757165|1.756190|1.956417|0.078896|0.074915|0.076298|0.112470|0.107904|0.194338|0.222932|0.161558|0.139253|0.300565|0.302314|0.500000| |2.514108|2.916424|0.076671|3.740502|4.555149|6.967727|8.773059|5.506694|17.514290|12.500429|3.807108|2.436474|3.972102|2.287844|0.059584|2.558413|3.041795|1.951755|2.013003|1.774304|1.601106|2.232549|0.042365|0.046317|1.801785|2.065223|2.199746|3.468054|2.520691|2.330288|2.568300|2.266402|2.220818|1.963042|1.798788|1.821858|2.022513|0.068923|0.061875|0.070359|0.100921|0.107459|0.120708|0.110619|0.176103|0.214530|0.139270|0.143072|0.123061|0.500000| |2.236020|2.618256|0.071133|3.185699|4.029568|5.506538|8.821975|6.956520|17.569533|12.825070|3.482239|2.311991|3.829878|2.196434|0.056366|2.467311|3.003708|1.934567|1.987293|1.741597|1.596233|2.261829|0.043169|0.046779|1.850655|2.095176|2.199925|3.501845|2.512689|2.371081|2.610363|2.340356|2.370588|2.094588|1.878601|1.862602|2.049163|0.061128|0.056250|0.061345|0.085380|0.087505|0.110339|0.105197|0.142079|0.143867|0.167212|0.214006|0.142892|0.300837|0.500000| |2.454404|2.858288|0.078038|3.616949|4.507552|6.825367|8.767654|6.877652|17.566075|10.091588|3.613997|2.353587|3.947284|2.161616|0.055778|2.347395|2.810613|1.843563|1.936828|1.724750|1.572604|2.227099|0.042435|0.046642|1.792372|2.033265|2.007438|3.201687|2.228670|2.063182|2.208845|1.981536|1.977930|1.772188|1.619441|1.620604|1.773736|0.068768|0.060754|0.066755|0.101949|0.097379|0.112870|0.118891|0.208110|0.170806|0.200752|0.174500|0.139574|0.301950|0.300821|0.500000| |2.774867|3.381446|0.087381|4.217897|5.554004|7.049877|9.770016|6.007068|7.732733|35.724284|4.785478|3.056471|4.781578|2.968265|0.075527|3.576615|4.135596|2.516329|2.551913|2.154333|1.912609|2.658171|0.049800|0.054493|2.205261|2.610693|3.018964|4.575093|3.665909|3.246563|3.613060|2.964795|2.833817|2.386946|2.149070|2.203182|2.540177|0.072624|0.068887|0.077838|0.102983|0.122598|0.175329|0.127742|0.145422|0.208060|0.130772|0.155672|0.151718|0.223320|0.195111|0.151317|0.500000| |6.488318|9.008303|0.181661|7.291785|6.108034|4.395660|3.652024|3.272762|2.926892|7.034788|26.049560|9.455557|10.877877|7.541476|0.196341|7.245887|6.403181|4.055365|4.710463|3.903538|3.012136|3.923249|0.069482|0.082311|3.099240|4.100733|3.765446|5.487842|3.783584|2.921084|2.738404|2.248943|2.058660|1.792128|1.691114|1.790509|2.056083|0.135746|0.159854|0.185207|0.145853|0.213897|0.201214|0.142533|0.103971|0.123770|0.083356|0.079578|0.100917|0.081818|0.073350|0.074857|0.106791|0.500000| |3.537809|4.580724|0.120354|4.293057|4.878432|3.842283|3.771548|3.627697|2.952210|8.108831|8.849521|6.962032|9.275396|8.720305|0.175048|17.554042|12.288264|6.087474|6.454690|4.325971|3.480563|4.744495|0.082999|0.094662|4.251498|6.226918|6.543198|8.440332|6.338193|4.285161|3.689852|2.883662|2.648640|2.226842|2.043826|2.144337|2.512966|0.084341|0.094841|0.095574|0.096377|0.116066|0.183240|0.126247|0.089554|0.101987|0.087190|0.092348|0.118694|0.079497|0.077966|0.073356|0.116479|0.194319|0.500000| |3.649438|4.364798|0.107015|4.064592|4.129962|3.413469|3.222293|2.942085|2.658315|6.814148|8.652493|6.220086|8.022564|8.709948|0.224904|17.578455|12.297880|5.981832|5.693604|4.184548|3.269020|4.150274|0.073632|0.082274|3.448089|4.592397|6.688578|8.526648|6.641777|4.356911|3.775485|2.917172|2.569835|2.176461|2.050916|2.213089|2.630385|0.085047|0.098053|0.104888|0.091782|0.119244|0.143913|0.102012|0.080671|0.096572|0.072649|0.075483|0.090632|0.074430|0.069717|0.066361|0.105349|0.226201|0.302401|0.500000| |2.407860|2.701748|0.074711|2.427687|2.532727|2.191115|2.191784|2.213581|1.888431|4.374375|4.564883|4.073269|6.693928|5.711257|0.142678|5.831452|12.480147|17.638832|8.589801|6.188029|5.905733|7.204795|0.126571|0.121264|6.665624|7.115956|7.342292|13.901082|4.682623|3.819566|2.966576|2.545022|2.364133|2.076577|1.956818|2.054235|2.331238|0.059445|0.069512|0.065295|0.059753|0.066092|0.080325|0.069884|0.055167|0.059060|0.056302|0.059471|0.069010|0.051156|0.051536|0.048717|0.065247|0.093327|0.140117|0.129484|0.500000| |2.655095|2.891750|0.077601|2.545224|2.547530|2.190535|2.129911|2.091559|1.845763|4.226738|5.025472|4.466586|7.019150|6.833488|0.201670|6.358452|12.333535|17.515839|8.740951|7.129410|5.681711|6.048457|0.105860|0.108238|4.757980|5.510522|6.557817|11.267781|4.470684|3.548334|2.841465|2.417709|2.190062|1.933547|1.857235|1.988604|2.270722|0.064313|0.077665|0.073524|0.062291|0.070744|0.080295|0.068768|0.055141|0.060176|0.053576|0.055444|0.064304|0.050769|0.049743|0.047693|0.064214|0.105350|0.135525|0.151692|0.303457|0.500000| |3.063315|3.192922|0.087812|2.634124|2.524764|2.123123|2.000420|1.988049|1.734022|3.807589|5.409038|5.189557|9.056532|6.746691|0.214048|4.729461|6.697585|6.982351|8.788679|17.564970|8.994353|7.644622|0.127092|0.145078|4.881927|5.483523|3.775577|6.382409|3.036600|2.520820|2.165960|1.890566|1.754400|1.578087|1.517497|1.601903|1.787134|0.073590|0.095387|0.082419|0.065515|0.071498|0.076594|0.069720|0.054611|0.057752|0.052169|0.051856|0.061244|0.047479|0.046127|0.045668|0.057370|0.105273|0.109603|0.115642|0.157771|0.221760|0.500000| |3.559902|3.791832|0.109798|2.977994|2.845261|2.323069|2.160294|2.188602|1.845487|4.024911|6.300954|6.683846|14.105073|7.007873|0.187248|4.563996|5.872334|5.477551|8.848823|17.595735|8.913481|9.460834|0.145440|0.210499|5.644262|6.682151|3.324999|5.486029|2.795974|2.325814|2.041948|1.783894|1.681216|1.511634|1.438538|1.500204|1.665483|0.085369|0.114322|0.090808|0.074273|0.077837|0.085018|0.080961|0.060241|0.061895|0.058005|0.056325|0.068488|0.049930|0.048732|0.049016|0.059631|0.113237|0.113635|0.108493|0.130494|0.145478|0.303436|0.500000| |2.313440|2.476129|0.070365|2.149148|2.160020|1.866307|1.822198|1.863901|1.594727|3.473511|3.974912|3.630357|6.658036|4.413044|0.118817|3.719774|5.876350|6.384134|6.639684|8.713707|17.618456|12.436809|0.222291|0.181052|7.051046|5.746647|3.627687|6.687328|2.840384|2.474025|2.087678|1.867344|1.770279|1.607617|1.536599|1.597739|1.757057|0.057851|0.069570|0.061611|0.054385|0.057641|0.065393|0.061004|0.048340|0.050084|0.048901|0.049673|0.057577|0.043143|0.043186|0.042085|0.051835|0.077576|0.093160|0.088874|0.194456|0.175980|0.212803|0.172980|0.500000| |2.453377|2.554790|0.073750|2.163713|2.124117|1.822944|1.747893|1.791610|1.533935|3.259997|3.982230|3.655677|7.158376|4.045231|0.111422|3.230266|4.660218|4.529259|5.442709|8.774036|17.626429|12.354951|0.224051|0.222144|5.587961|4.863550|2.876391|5.110426|2.384390|2.085051|1.816730|1.633195|1.555323|1.421994|1.362708|1.413251|1.543861|0.061703|0.075912|0.064347|0.055480|0.057452|0.062878|0.060606|0.047839|0.048792|0.047724|0.047279|0.055158|0.041487|0.041202|0.040921|0.048621|0.075679|0.082307|0.079115|0.124629|0.126818|0.212092|0.216206|0.301007|0.500000| |2.262264|2.548614|0.073839|2.276420|2.408536|2.080955|2.095464|2.208447|1.805747|4.043904|4.079910|3.692668|6.731079|4.390617|0.105989|4.101049|6.648209|6.417727|6.599032|5.732484|7.039945|12.446717|0.222995|0.181136|17.634617|8.699277|4.224100|7.734931|3.288345|2.867002|2.380464|2.115782|2.049443|1.836470|1.712002|1.748912|1.929954|0.057086|0.065877|0.059545|0.057204|0.060084|0.074263|0.069284|0.053428|0.054750|0.057106|0.059568|0.069780|0.048032|0.049462|0.047319|0.059076|0.079319|0.111140|0.093207|0.230458|0.142178|0.129024|0.131798|0.215176|0.144688|0.500000| |2.359436|2.704879|0.081329|2.408235|2.588813|2.213363|2.229270|2.427652|1.901998|4.197212|4.184500|3.784499|7.350295|4.036526|0.095090|3.693288|5.348690|4.569039|5.436427|4.875891|5.589824|12.357819|0.223952|0.222450|17.627102|8.787617|3.403360|5.920086|2.868167|2.513728|2.172452|1.938649|1.908090|1.715483|1.586187|1.602520|1.756327|0.060309|0.068544|0.060676|0.061080|0.061955|0.078501|0.077085|0.057425|0.057019|0.063497|0.065084|0.078137|0.049849|0.051949|0.050338|0.060229|0.078802|0.106375|0.084798|0.139937|0.104920|0.107582|0.126946|0.144700|0.126486|0.301392|0.500000| |3.362473|4.110769|0.126831|3.408073|3.623803|2.865090|2.759278|2.942707|2.259694|5.189372|6.825222|7.173462|14.895480|6.947399|0.143488|5.489105|6.799249|5.527850|8.784103|6.646230|5.609699|9.406318|0.144961|0.208507|8.934285|17.629029|3.851342|6.122419|3.300818|2.701216|2.362100|2.033795|1.955311|1.728597|1.602972|1.644114|1.835584|0.082678|0.098388|0.083952|0.083168|0.085242|0.112568|0.108727|0.072935|0.073073|0.076312|0.075357|0.097690|0.059382|0.060072|0.059438|0.073702|0.120026|0.161278|0.118409|0.141717|0.123029|0.136787|0.191432|0.131596|0.126002|0.173182|0.217957|0.500000| |2.865001|3.485199|0.101115|3.113785|3.457867|2.843526|2.869881|3.037839|2.349594|5.693708|5.921612|5.535259|9.362587|6.667951|0.137408|6.797530|9.648894|7.199002|8.753371|5.489674|4.890263|7.645354|0.127226|0.144645|9.023620|17.578784|5.414990|8.376440|4.379415|3.474557|2.900775|2.447519|2.348562|2.036111|1.864270|1.911119|2.162501|0.070807|0.081106|0.074563|0.075237|0.080681|0.112895|0.099731|0.070718|0.073344|0.076047|0.080053|0.100788|0.061817|0.063649|0.060488|0.080763|0.113802|0.210189|0.136542|0.196909|0.142566|0.123190|0.137243|0.129873|0.107602|0.214030|0.212266|0.303346|0.500000| |2.537502|3.020482|0.079430|3.074370|3.514279|3.212330|3.457002|3.244881|2.893950|8.064140|5.038804|3.718332|5.581552|4.468923|0.109771|6.931021|9.699992|4.678752|4.045269|3.067838|2.700406|3.659364|0.067379|0.070983|3.241994|3.968459|8.913369|10.828211|17.518659|8.812351|6.873333|4.555692|3.968877|3.092553|2.763716|2.938560|3.658244|0.063141|0.067683|0.070968|0.073125|0.087282|0.121763|0.090080|0.075656|0.088683|0.076713|0.088671|0.099206|0.079371|0.080205|0.070037|0.123116|0.114176|0.217780|0.188883|0.121342|0.112136|0.081749|0.078593|0.076457|0.065404|0.092027|0.083747|0.099279|0.134109|0.500000| |2.521819|2.877763|0.073635|2.889468|3.087133|2.842425|2.910168|2.652789|2.531195|6.453232|4.841575|3.513599|5.200597|4.370189|0.117058|6.527624|9.438880|4.638508|3.820898|3.019920|2.614906|3.383712|0.062520|0.065482|2.854051|3.417764|8.980823|11.124136|17.497763|8.817850|6.885806|4.554127|3.651608|2.933526|2.761068|3.092688|3.972013|0.062199|0.067640|0.072695|0.069118|0.085175|0.103022|0.077710|0.068008|0.081566|0.064737|0.071606|0.078882|0.071686|0.069144|0.062132|0.103968|0.114298|0.166222|0.215269|0.115400|0.121390|0.084321|0.076696|0.074766|0.064177|0.081753|0.072208|0.085748|0.106770|0.304459|0.500000| |1.908921|2.119177|0.056050|2.120396|2.273622|2.162973|2.284609|2.169492|2.073571|4.876874|3.374834|2.533779|3.995382|3.039579|0.081901|3.874168|6.369935|3.737223|2.988159|2.494007|2.314628|3.029976|0.057798|0.057541|2.552884|2.808981|6.918033|12.618330|8.869453|17.586331|8.820649|6.865313|5.030269|3.972200|3.801915|4.433296|6.079110|0.048344|0.052028|0.054262|0.052679|0.061040|0.072372|0.059455|0.053503|0.061060|0.053773|0.060660|0.063639|0.058087|0.058437|0.051720|0.077650|0.075039|0.103275|0.110637|0.104336|0.099961|0.069611|0.062640|0.068556|0.057399|0.076459|0.065716|0.069561|0.087337|0.173447|0.210810|0.500000| |1.915562|2.174027|0.058470|2.190509|2.429193|2.313902|2.523153|2.459583|2.260512|5.473765|3.438827|2.606091|4.158089|3.069939|0.079236|3.950759|6.438406|3.752231|3.088198|2.518268|2.370569|3.219160|0.061497|0.061102|2.814991|3.087371|6.869629|12.148166|8.866612|17.568023|8.829544|6.891616|5.987270|4.402296|3.813626|4.017842|5.114305|0.048781|0.052039|0.053534|0.054395|0.061816|0.078054|0.064473|0.057011|0.063909|0.060073|0.070036|0.072962|0.061996|0.064705|0.056041|0.084788|0.074999|0.112681|0.106489|0.108442|0.094479|0.068082|0.063608|0.069762|0.058213|0.084511|0.073948|0.076141|0.100353|0.210966|0.173423|0.305252|0.500000| 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