Version2.0 2020-07-17T08:03:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)N2CC[NH+](CC2)CCCNC(=O)Cn3c4ccccc4c5n3c(cc(=O)n5)C)C C09251448 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)N2CC[NH+](CC2)CCCNC(=O)Cn3c4ccccc4c5n3c(cc(=O)n5)C)C C01[X(C28H35N6O2)] 207 C1 610 O=C(Cn1c2ccccc2c2n1c(C)cc(=O)n2)NCCC[NH+]1CCN(CC1)c1cc(C)ccc1C O=C(Cn1c2ccccc2c2n1c(C)cc(=O)n2)NCCC[NH+]1CCN(CC1)c1cc(C)ccc1C Cc1ccc(C)c(c1)N2CC[NH+](CCCNC(=O)CN3N4C(=CC(=O)N=C4c5ccccc35)C)CC2 InChIKey=NFGIAKMPWMVPHL-UHFFFAOYSA-O InChI=1S/C28H34N6O2/c1-20-9-10-21(2)25(17-20)32-15-13-31(14-16-32)12-6-11-29-27(36)19-33-24-8-5-4-7-23(24)28-30-26(35)18-22(3)34(28)33/h4-5,7-10,17-18H,6,11-16,19H2,1-3H3,(H,29,36)/p+1 InChI=1/C28H34N6O2/c1-20-9-10-21(2)25(17-20)32-15-13-31(14-16-32)12-6-11-29-27(36)19-33-24-8-5-4-7-23(24)28-30-26(35)18-22(3)34(28)33/h4-5,7-10,17-18H,6,11-16,19H2,1-3H3,(H,29,36)/p+1/fC28H35N6O2/h29,31H/q+1 Cc1ccc(c(c1)N2CC[NH+](CC2)CCCNC(=O)Cn3c4ccccc4c5n3c(cc(=O)n5)C)C C01[X(C28H35N6O2)] 207 C01 610 O=C(Cn1c2ccccc2c2n1c(C)cc(=O)n2)NCCC[NH+]1CCN(CC1)c1cc(C)ccc1C O=C(CN1[C]2[CH][CH][CH][CH][C]2[C]2[N][C]([O])C=C(N12)C)NCCC[NH]1CC[N@](CC1)[C]1[CH][C]([CH][CH][C]1C)C C[C]1[CH][CH][C](C)[C]([CH]1)N2CC[NH](CCCNC(=O)CN3[C]4[CH][CH][CH][CH][C]4[C]5[N][C]([O])C=C(C)N35)CC2 InChIKey=MJVXMZKVGRKALP-UHFFFAOYSA-N InChI=1S/C28H35N6O2/c1-20-9-10-21(2)25(17-20)32-15-13-31(14-16-32)12-6-11-29-27(36)19-33-24-8-5-4-7-23(24)28-30-26(35)18-22(3)34(28)33/h4-5,7-10,17-18,31H,6,11-16,19H2,1-3H3,(H,29,36) InChI=1/C28H35N6O2/c1-20-9-10-21(2)25(17-20)32-15-13-31(14-16-32)12-6-11-29-27(36)19-33-24-8-5-4-7-23(24)28-30-26(35)18-22(3)34(28)33/h4-5,7-10,17-18,31H,6,11-16,19H2,1-3H3,(H,29,36)/f/h29H 3946.2629318886 -1556.930426 1-A 22797.5976 130 480 610 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1449.98 1481.69 1489.49 1501.04 1513.57 1550.22 1567.13 1577.17 1579.08 1586.18 1602.71 1615.24 1616.83 1636.77 1640.22 1642.45 1649.83 1673.62 1684.89 1688.39 1692.13 1694.81 1707.06 1728.74 1750.82 1753.85 1764.94 1771.72 1806.62 1818.09 1841.20 1869.56 1881.90 1893.22 1904.27 1911.53 1916.79 1938.41 1944.14 1956.58 1987.73 1994.41 1995.21 2031.34 2037.76 2051.95 2055.79 2096.52 2099.15 2125.13 2136.45 2142.53 2150.98 2171.70 2199.34 2212.62 2225.00 2238.19 2245.67 2253.77 2258.63 2264.34 2276.81 2290.59 2291.68 2317.47 2330.11 2337.29 2346.08 2346.72 2347.51 2348.39 2349.50 2356.94 2360.49 2363.87 2366.83 2367.70 2370.82 2378.08 2379.58 2383.52 2419.31 2426.79 2431.46 2509.78 2550.81 2584.07 2610.34 2619.83 2663.51 2688.47 2829.84 4545.78 4603.08 4616.00 4620.12 4646.59 4664.21 4672.60 4685.96 4693.83 4696.29 4708.96 4714.99 4724.22 4732.38 4732.58 4735.10 4738.37 4742.09 4746.56 4770.13 4775.00 4792.40 4814.18 4815.04 4816.93 4824.63 4829.10 4857.70 4863.67 4881.53 4893.77 4906.70 4921.38 4997.81 5596.66 0.651974 0.683095 0.684040 0.585870 -1556.278452 -1556.247331 -1556.246386 -1556.344556 3.292638D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE Cc1ccc(c(c1)N2CC[NH+](CC2)CCCNC(=O)Cn3c4ccccc4c5n3c(cc(=O)n5)C)C C09251448 RHF 6-31G(d) (6D,10F) C1 487.282150 |X|Y|Z| 55.191404 43.454990 133.653002 68.437889 31 6 7 25 6 |36.858105| |12.608325|36.858105| |7.547463|13.701621|36.858105| |5.015251|7.899209|13.790351|36.858105| |4.391511|6.738546|7.866456|13.687814|36.858105| |4.993362|7.857632|6.902183|8.008118|13.697019|36.858105| |7.533039|13.745814|8.022638|6.945891|7.882598|13.697688|36.858105| |3.820147|5.095203|4.536645|5.154922|7.824729|13.237028|7.746954|53.358707| |3.528538|4.380125|3.819229|4.108411|5.476918|7.821920|6.241382|17.881342|36.858105| |2.766129|3.267111|2.973131|3.231363|4.135187|5.099415|4.229198|10.696146|12.534322|36.858105| |2.605088|3.007927|2.717578|2.908128|3.633081|4.459270|3.847383|9.062096|7.661191|12.691600|53.358707| |2.706413|3.051902|2.684476|2.788399|3.390903|4.264737|3.916308|8.141616|7.192499|9.440839|25.397284|0.500000| |2.749621|3.254803|2.975301|3.246946|4.164687|5.096707|4.199967|10.661929|6.637824|7.733035|17.343512|0.255984|36.858105| |3.498411|4.357687|3.828791|4.146497|5.558859|7.846823|6.166631|17.915448|7.971000|6.666975|10.464426|0.197333|12.517148|36.858105| |2.162574|2.435749|2.254796|2.412506|2.910453|3.346405|2.957115|6.089896|4.995666|7.741063|17.291273|0.258620|7.553482|4.949115|36.858105| |1.984336|2.196833|2.041473|2.162985|2.547953|2.878776|2.607572|4.966735|3.780709|4.938598|10.151785|0.186391|6.374718|4.302622|12.464147|36.858105| |1.719189|1.875541|1.762906|1.860497|2.144146|2.361109|2.169169|3.900594|3.007702|3.808794|6.647354|0.127338|4.246859|3.203597|7.489558|12.378970|36.858105| |1.655740|1.776863|1.656116|1.721984|1.956293|2.167915|2.039527|3.511438|2.779231|3.428646|5.724985|0.117651|3.543531|2.837418|5.843466|7.587537|13.085878|53.358707| |1.603589|1.698420|1.576116|1.621067|1.819072|2.017593|1.931944|3.203865|2.495641|2.940910|4.887693|0.104072|3.170365|2.626642|4.485206|5.877231|7.833438|19.114558|36.858105| |1.619604|1.714279|1.591151|1.634866|1.831198|2.029194|1.946520|3.206835|2.434609|2.810953|4.763441|0.101307|3.249021|2.693251|4.196095|5.852882|6.982517|11.596731|15.908701|73.516695| |1.506946|1.574043|1.458195|1.485303|1.645208|1.819341|1.769503|2.831540|2.231910|2.564895|4.059195|0.087938|2.627200|2.270977|3.525852|4.115376|4.982204|10.501045|12.428428|14.248582|36.858105| |1.588807|1.640351|1.501995|1.511959|1.665816|1.863045|1.843965|2.876808|2.283023|2.561290|4.034899|0.090604|2.606836|2.313666|3.319507|3.729081|4.047706|7.577684|7.626177|11.163677|12.896171|53.358707| |1.604892|1.645681|1.502518|1.503839|1.647804|1.844476|1.841646|2.820606|2.189932|2.399445|3.826264|0.086331|2.567861|2.311149|3.040328|3.505378|3.634175|6.181577|6.280673|11.286803|7.790890|18.185429|36.858105| |1.468230|1.498108|1.378693|1.378854|1.497374|1.655601|1.655007|2.496073|1.908555|2.065091|3.242474|0.071640|2.237070|2.037003|2.558787|2.951371|3.102244|5.039976|4.959501|9.451385|5.988143|10.304830|13.791888|36.858105| |1.482134|1.502939|1.381537|1.374735|1.484093|1.639216|1.650585|2.446151|1.841805|1.957601|3.074786|0.067920|2.177468|2.014766|2.365279|2.724729|2.766360|4.256410|3.974276|7.979815|4.304310|6.967175|8.087635|13.770187|36.858105| |1.633109|1.649840|1.502922|1.486702|1.605652|1.790513|1.818977|2.667761|1.992905|2.089871|3.319183|0.074376|2.382568|2.232495|2.484939|2.855264|2.770051|4.141681|3.742625|7.642194|3.803155|6.230610|6.930479|7.831384|13.630592|36.858105| |1.823846|1.849733|1.664785|1.644480|1.792612|2.032641|2.071297|3.068899|2.315061|2.433641|3.942892|0.090898|2.786932|2.601617|2.911883|3.337701|3.123183|4.698955|4.208281|8.476579|4.150187|7.142434|7.884093|6.731810|7.905269|13.818379|36.858105| |1.800532|1.843388|1.661772|1.653507|1.818792|2.067955|2.083891|3.176775|2.458610|2.658566|4.335790|0.101025|2.925915|2.657914|3.314258|3.806579|3.654312|5.873207|5.507667|10.454902|5.668360|11.202264|13.791564|7.901565|6.979023|8.052012|13.728906|36.858105| |1.956186|2.020691|1.805839|1.801286|2.005497|2.316955|2.326230|3.635620|2.909117|3.211399|5.303673|0.129244|3.368055|3.019884|4.049200|4.444027|4.115680|6.784275|5.820706|9.905167|5.779958|11.224923|8.384701|5.295499|4.585836|5.042601|7.348167|13.121686|36.858105| |1.779603|1.843759|1.668642|1.676086|1.862626|2.119369|2.103786|3.319688|2.697655|3.054169|4.866781|0.113753|3.016381|2.671798|3.944578|4.244813|4.305091|7.897613|6.821101|10.028814|8.056724|18.439613|8.605458|5.341849|4.217904|4.193136|5.281761|8.501264|13.984915|53.358707| |1.806429|1.874086|1.695255|1.703425|1.894985|2.158552|2.141356|3.383991|2.844266|3.252482|4.934301|0.115083|2.942943|2.635584|3.983054|3.923191|3.968408|7.079194|5.254101|7.621795|6.032728|10.472039|5.399230|3.939891|3.264899|3.258035|3.935275|5.398857|8.029166|18.837588|36.858105| |2.042150|2.129366|1.901077|1.904782|2.137565|2.483670|2.474803|3.944756|3.449989|3.948547|5.868048|0.143391|3.340055|3.032074|4.477096|4.073862|3.822899|6.239631|4.347283|6.659656|4.448569|7.124672|4.271742|3.269891|2.864022|2.974072|3.654028|4.681436|7.146408|11.263218|14.208450|36.858105| |2.331928|2.448456|2.145036|2.140616|2.431691|2.911129|2.921714|4.728083|4.125741|4.628617|7.413046|0.203991|4.150605|3.785603|5.143290|4.680893|3.977705|6.044836|4.274219|6.981898|4.024362|6.391446|4.257243|3.264614|2.975035|3.240283|4.179004|5.181430|8.417301|9.716323|7.854998|13.044170|36.858105| |2.668755|2.858667|2.464671|2.464555|2.853467|3.535798|3.535594|5.938481|5.546031|6.100528|9.411931|0.289171|4.942073|4.655511|5.634935|4.652674|3.750333|5.303202|3.610483|6.039577|3.305352|4.965949|3.399645|2.742400|2.564636|2.809151|3.513568|4.046700|5.665422|6.736491|5.427748|8.141937|15.622583|73.516695| |2.248437|2.333424|2.047832|2.032498|2.284898|2.710120|2.746496|4.315933|3.515582|3.819205|6.424414|0.169646|3.973637|3.630833|4.525928|4.653278|3.955019|6.032192|4.670335|8.086891|4.355916|7.350348|5.398588|3.959754|3.667017|4.182757|5.933825|7.672965|14.863564|11.104062|6.806455|7.858074|13.882398|15.010226|53.358707| |1.609125|1.662548|1.523082|1.533427|1.689007|1.887725|1.867939|2.909348|2.426474|2.752757|4.010205|0.089495|2.453911|2.219544|3.276106|3.217341|3.434118|6.103446|4.483776|6.451644|5.647290|8.829676|4.497431|3.564308|2.919632|2.801108|3.185563|4.115227|5.119580|10.442658|12.694687|7.557888|4.951527|7.006959|6.046216|36.858105| |3.257064|4.391453|5.008296|7.550026|12.607069|7.510360|4.995532|9.007960|4.894272|4.143467|4.941488|0.090212|4.203009|5.001931|3.016674|2.630274|2.230991|2.717445|1.832609|3.273033|1.642536|2.226292|1.607011|1.465201|1.443966|1.546307|1.713555|1.751764|1.925158|2.467172|1.843051|2.053889|2.298201|4.719526|2.936810|1.657687|36.858105| |17.550449|8.845243|6.682272|4.586170|3.942059|4.292699|5.891503|4.599798|3.237379|2.575451|3.246920|0.068564|2.466023|3.035365|2.012344|1.838280|1.612803|2.126285|1.509873|2.693541|1.429886|2.049588|1.511541|1.386082|1.393229|1.522802|1.690890|1.680155|1.826535|2.288832|1.722478|1.943942|2.179519|4.404386|2.832129|1.550815|3.016371|0.500000| |17.580236|8.831497|5.566440|4.170309|3.933923|4.731023|7.222042|5.227122|3.659796|2.871299|3.729712|0.080902|2.850312|3.620574|2.260181|2.077953|1.793174|2.370960|1.696235|3.044866|1.599707|2.320437|1.727878|1.571801|1.588861|1.763739|1.988389|1.958326|2.138536|2.620497|1.953090|2.225631|2.574587|5.258960|3.388359|1.723660|3.008525|0.301896|0.500000| |17.553304|8.843928|6.733406|4.601068|3.939895|4.276642|5.854593|4.579792|3.048014|2.471507|3.237509|0.068339|2.551139|3.198747|2.003912|1.870437|1.629091|2.132021|1.527544|2.761964|1.435685|2.057147|1.538893|1.419794|1.444077|1.594404|1.765125|1.723380|1.845616|2.281476|1.684790|1.879824|2.138283|4.273245|2.855352|1.506613|3.014841|0.302378|0.301839|0.500000| |6.996917|8.907576|17.701790|8.955924|5.623952|4.966092|5.677115|4.915351|3.156727|2.551226|3.207809|0.064934|2.553326|3.163709|2.000100|1.832178|1.603933|2.062851|1.450331|2.604322|1.351251|1.895349|1.396075|1.289856|1.296137|1.406022|1.544532|1.535472|1.654052|2.089590|1.558235|1.732337|1.932063|3.885346|2.526502|1.411867|4.096759|0.188827|0.140302|0.191629|0.500000| |4.098756|5.639662|8.967397|17.711941|8.928254|5.675836|4.989412|5.681646|3.451049|2.850336|3.516253|0.068353|2.868738|3.487481|2.202209|1.992879|1.738489|2.187290|1.513242|2.713167|1.389693|1.914335|1.397835|1.289993|1.286189|1.382727|1.516114|1.523906|1.647759|2.103362|1.569327|1.737139|1.926210|3.884735|2.499035|1.426356|7.027150|0.108186|0.096054|0.108658|0.217477|0.500000| |6.998163|8.949949|5.681877|4.987927|5.627999|8.923886|17.694023|9.719609|6.501259|4.413351|5.617301|0.122529|4.352784|6.331126|3.119416|2.754215|2.273951|2.947547|2.064704|3.694619|1.897757|2.728935|2.008133|1.787758|1.783396|1.982873|2.291061|2.305477|2.604577|3.156860|2.360864|2.770985|3.360182|7.387683|4.289393|2.028108|4.079409|0.152959|0.222376|0.151528|0.124509|0.108110|0.500000| |3.797006|4.499421|3.708390|3.754719|4.660689|6.716994|6.465466|12.182835|17.496529|8.891227|9.326776|0.210181|5.773554|7.068940|4.609037|3.626147|2.908003|3.770826|2.534645|4.392729|2.299871|3.277409|2.319511|2.003770|1.937336|2.115925|2.492061|2.646597|3.182154|3.943650|3.072923|3.840504|4.779516|12.230893|5.420574|2.573538|3.992176|0.096156|0.114345|0.089652|0.086140|0.087464|0.215109|0.500000| |3.515143|4.391091|3.954647|4.310844|5.645857|7.304588|5.884005|12.497020|17.607892|8.990705|7.613406|0.145837|4.966774|5.732447|4.164172|3.219760|2.676529|3.401721|2.245082|3.866197|2.040712|2.830220|1.983047|1.745109|1.681471|1.802323|2.064639|2.190791|2.561055|3.301038|2.593315|3.110717|3.536885|8.070146|4.105346|2.272038|5.077254|0.092456|0.098842|0.083397|0.091108|0.101349|0.159628|0.301804|0.500000| |2.576855|2.947865|2.675403|2.843224|3.478012|4.172021|3.686927|7.699408|8.831598|17.650630|12.415848|0.230721|5.645197|4.995362|7.253123|4.649325|3.795896|4.869731|3.032131|5.012615|2.700613|3.687832|2.478449|2.112220|1.975352|2.088437|2.435715|2.716595|3.357475|4.475670|3.658880|4.607113|5.143510|12.122571|5.409061|3.101227|3.450191|0.067752|0.075006|0.063875|0.064893|0.070541|0.108993|0.217401|0.212076|0.500000| |2.561373|3.054356|2.887793|3.243924|4.204557|4.808137|3.827059|9.634676|8.847958|17.620793|12.394092|0.182622|7.012674|5.845200|7.142150|4.690510|3.740428|4.438730|2.766241|4.712205|2.401882|3.195499|2.199649|1.921970|1.823457|1.927660|2.204769|2.392088|2.812677|3.705465|2.875523|3.351629|3.752078|8.142885|4.382691|2.509214|4.562471|0.066774|0.072305|0.064290|0.069212|0.081118|0.105891|0.173902|0.217081|0.298644|0.500000| |2.559595|2.939726|2.684562|2.868465|3.517477|4.181815|3.663943|7.697840|4.978268|5.628037|12.360559|0.222117|17.658364|8.853535|6.935802|7.251583|4.600492|5.155588|3.485372|6.590435|2.817130|3.802090|2.813018|2.450847|2.407181|2.665630|3.140675|3.253781|3.666269|4.353315|3.004897|3.319964|4.173793|8.330260|5.808449|2.481231|3.517002|0.063640|0.074329|0.067093|0.065112|0.071320|0.107252|0.130095|0.109271|0.127077|0.143133|0.500000| |2.545992|3.041055|2.887028|3.256409|4.229850|4.797448|3.800115|9.583137|5.810580|6.997305|12.407046|0.180313|17.611028|8.830414|6.993317|5.913858|4.168414|4.579018|2.961531|5.370685|2.455226|3.245382|2.331499|2.062788|2.002797|2.157296|2.465307|2.587336|2.919593|3.669035|2.650554|2.946991|3.477528|7.132452|4.510151|2.272109|4.636852|0.064178|0.071807|0.066098|0.069211|0.081601|0.104660|0.133328|0.130403|0.143284|0.209369|0.299630|0.500000| |3.468305|4.356807|3.974850|4.386801|5.798341|7.338844|5.784351|12.497807|5.728889|4.978284|7.631008|0.144182|8.983921|17.609162|4.113843|3.807162|2.922645|3.501494|2.415226|4.470867|2.093010|2.885816|2.145143|1.923757|1.925568|2.136083|2.445535|2.447878|2.695708|3.257988|2.332528|2.616509|3.179580|6.624776|4.281938|1.996129|5.280186|0.082726|0.097268|0.090802|0.091525|0.103400|0.154344|0.143651|0.128002|0.109498|0.130884|0.213363|0.216505|0.500000| |3.761599|4.479189|3.720651|3.787700|4.716711|6.742902|6.389938|12.209539|7.082377|5.795448|9.351847|0.207195|8.873954|17.447320|4.567931|4.110167|3.094352|3.852927|2.680682|4.909474|2.344956|3.329253|2.474767|2.164225|2.156492|2.432067|2.889452|2.918377|3.338699|3.897410|2.800586|3.260705|4.246558|9.428589|5.668555|2.317584|4.054029|0.089097|0.112862|0.095101|0.086392|0.088311|0.207380|0.208695|0.143818|0.130584|0.133888|0.217406|0.173551|0.302065|0.500000| |2.094415|2.322315|2.136717|2.255088|2.672291|3.074276|2.790901|5.404053|4.712787|7.153599|12.532581|0.235119|5.606683|4.192695|17.614679|8.802347|6.976306|8.730062|4.744533|7.423246|3.865939|4.981113|3.213905|2.653151|2.403789|2.496589|2.940020|3.454644|4.405030|6.142364|4.836568|5.602325|6.038840|11.374808|6.652831|3.913033|2.724988|0.054677|0.061234|0.053639|0.053003|0.057270|0.082797|0.126061|0.112546|0.223144|0.174357|0.145081|0.142608|0.097287|0.112298|0.500000| |2.070688|2.356078|2.227303|2.428535|2.948842|3.280090|2.826280|5.914637|4.741376|7.386939|12.426595|0.182284|6.691993|4.550519|17.597976|8.833498|6.668206|6.826858|3.859207|6.442210|3.108625|3.913850|2.639059|2.278759|2.116556|2.199885|2.514695|2.810661|3.309382|4.482066|3.368671|3.706989|4.046238|7.888218|4.904963|2.912285|3.179042|0.053887|0.059250|0.053415|0.054984|0.062292|0.080624|0.115624|0.114738|0.187245|0.227447|0.162780|0.201496|0.108642|0.111715|0.301742|0.500000| |1.978256|2.210073|2.078252|2.226963|2.635343|2.929040|2.611240|5.029840|3.619975|4.546308|8.984184|0.157486|6.851604|4.472878|8.858475|17.578914|8.936866|7.684882|4.764694|9.002233|3.479420|4.319601|3.085282|2.691452|2.548384|2.686927|3.070481|3.346673|3.712114|4.747139|3.221357|3.339117|3.831412|6.955254|5.301450|2.723277|2.769440|0.050667|0.056998|0.052209|0.051786|0.057288|0.075324|0.094354|0.086051|0.113588|0.125389|0.231137|0.190503|0.114551|0.114550|0.173640|0.217938|0.500000| |2.047503|2.237562|2.048688|2.135225|2.488553|2.859169|2.659293|4.857947|3.691122|4.552658|9.416316|0.198849|6.084933|4.353265|8.774323|17.587180|8.861112|9.872290|6.501726|12.277516|4.494153|5.802140|4.140529|3.381103|3.136629|3.367618|4.095671|4.734714|5.621044|6.787024|4.333808|4.476505|5.475731|9.233607|8.064768|3.393839|2.500033|0.052377|0.060287|0.053724|0.051142|0.054295|0.079598|0.102422|0.086353|0.120390|0.114535|0.208214|0.144424|0.106650|0.122163|0.204397|0.173184|0.303319|0.500000| |1.665919|1.827405|1.734772|1.846858|2.132443|2.316091|2.104223|3.819337|2.969183|3.829051|6.279549|0.115995|3.973425|3.033435|7.188365|8.764777|17.578116|12.563098|5.826993|9.079650|4.238382|4.735965|3.088022|2.689836|2.410883|2.400140|2.667203|3.073808|3.463408|5.025491|3.592695|3.516070|3.548125|6.116030|4.615999|3.242711|2.256212|0.043687|0.047915|0.043751|0.043893|0.048234|0.060584|0.078234|0.074790|0.107112|0.108564|0.113706|0.113043|0.077064|0.079811|0.190376|0.206080|0.202141|0.174221|0.500000| |1.628409|1.769233|1.673386|1.765055|2.015993|2.194009|2.023721|3.556457|2.667339|3.245060|5.549939|0.107100|3.821837|2.951053|5.561332|8.899546|17.638805|12.544867|7.404693|13.562204|4.714268|5.150575|3.544452|3.140155|2.836679|2.814218|3.088702|3.511347|3.724056|5.194396|3.417096|3.242536|3.396029|5.695575|4.781176|3.022949|2.103854|0.042383|0.047021|0.043232|0.042521|0.046093|0.058583|0.071720|0.066408|0.088250|0.089529|0.118469|0.105765|0.076855|0.079263|0.140502|0.144447|0.230717|0.204255|0.303258|0.500000| |1.600184|1.713516|1.601823|1.665248|1.884607|2.077290|1.956793|3.340486|2.690402|3.329534|5.277628|0.108021|3.209343|2.627529|5.301033|5.933262|8.979394|26.086530|9.355732|10.898900|7.313493|7.186990|4.103919|3.391391|2.845584|2.739462|3.071899|3.820099|4.467258|7.500198|5.432960|4.694600|4.233723|6.634330|5.470325|5.036332|1.927183|0.042240|0.046678|0.041919|0.040828|0.043294|0.057553|0.074427|0.068326|0.099365|0.088600|0.092295|0.085627|0.066032|0.072577|0.172940|0.132018|0.128583|0.153554|0.232466|0.187170|0.500000| |1.467385|1.534714|1.426738|1.456495|1.612567|1.775541|1.721705|2.760524|2.204009|2.553583|3.934348|0.084363|2.503939|2.172458|3.454186|3.833365|4.726421|10.019669|8.719070|10.404998|17.641200|12.431114|5.700669|4.643748|3.523157|3.169356|3.445865|4.510422|4.890457|9.552803|6.287460|4.537713|3.859317|5.711870|5.334924|6.751605|1.616563|0.038907|0.043143|0.038694|0.036763|0.037942|0.051094|0.062819|0.056595|0.076015|0.066835|0.072976|0.065676|0.055408|0.061805|0.108329|0.086162|0.089908|0.111276|0.118391|0.120199|0.230528|0.500000| |1.405975|1.462850|1.362525|1.386761|1.525344|1.671840|1.629274|2.571817|1.999007|2.262694|3.543275|0.075898|2.358764|2.061929|3.022013|3.543965|4.272600|8.031164|8.922768|12.889116|17.650015|12.496353|7.248312|6.654972|4.618258|3.838022|3.933462|5.032171|4.674442|7.928011|4.589486|3.580851|3.322496|4.996522|4.952493|4.510390|1.526194|0.037104|0.041318|0.037435|0.035249|0.036218|0.048261|0.056974|0.051106|0.065408|0.059527|0.070543|0.061867|0.053517|0.058978|0.089527|0.075730|0.086640|0.106229|0.103116|0.119186|0.155293|0.303030|0.500000| |1.363738|1.392525|1.290073|1.293827|1.401240|1.536684|1.530073|2.308613|1.767893|1.919239|2.971064|0.064775|2.046316|1.862172|2.370324|2.708646|2.930398|4.790793|4.637059|8.481907|5.952555|9.180679|8.851099|17.741913|8.878883|5.591486|4.880226|5.616796|4.308937|6.314000|3.623947|2.982626|2.892711|4.382722|4.564317|3.471469|1.379384|0.035946|0.040339|0.036653|0.033633|0.033783|0.045592|0.051192|0.045297|0.054761|0.050090|0.061629|0.053081|0.049006|0.054375|0.068572|0.059524|0.068970|0.083769|0.071862|0.082954|0.091729|0.132666|0.204938|0.500000| |1.381888|1.397629|1.292677|1.286313|1.380396|1.511603|1.521791|2.236478|1.673821|1.769610|2.746211|0.059958|1.964052|1.829575|2.109293|2.410849|2.467269|3.731992|3.393265|6.752457|3.661741|5.610461|5.715641|8.972135|17.728833|8.916246|5.647001|5.007873|3.644803|4.687851|2.787630|2.474457|2.547624|3.984314|4.138342|2.566575|1.346801|0.036189|0.040952|0.037581|0.033852|0.033590|0.045359|0.048631|0.042754|0.049475|0.046182|0.059963|0.050716|0.049007|0.054008|0.059259|0.053180|0.063569|0.075459|0.060640|0.071033|0.070139|0.085882|0.112063|0.215177|0.500000| |1.615863|1.622420|1.480748|1.458814|1.564033|1.735503|1.772815|2.554564|1.884964|1.949442|3.068007|0.068207|2.245955|2.138960|2.263540|2.574833|2.473032|3.600239|3.148338|6.403466|3.146117|4.953104|4.984120|5.614392|8.900292|17.741858|8.942230|5.689234|4.055368|4.658207|2.781417|2.602134|2.852506|4.520888|4.874614|2.429461|1.501410|0.041779|0.048409|0.044176|0.038647|0.037764|0.053486|0.055480|0.047523|0.053683|0.050201|0.069724|0.056756|0.057590|0.064770|0.062514|0.056283|0.068653|0.083071|0.060279|0.070268|0.066637|0.074845|0.088674|0.123680|0.216290|0.500000| |2.001184|2.019831|1.798708|1.763675|1.920857|2.200811|2.270223|3.305538|2.468284|2.541094|4.130180|0.096491|2.975116|2.845077|2.938381|3.305861|2.971904|4.320072|3.681592|7.338579|3.518356|5.816759|5.623804|4.880421|5.612792|8.869817|17.743400|8.886020|6.552298|6.255446|3.635211|3.562139|4.285004|6.610915|8.408599|2.923216|1.813630|0.051065|0.061147|0.053897|0.046223|0.044881|0.070525|0.074625|0.060641|0.069811|0.063400|0.093649|0.071970|0.074404|0.089922|0.081314|0.070306|0.085627|0.113083|0.071107|0.081054|0.078790|0.083849|0.091606|0.106322|0.123839|0.213130|0.500000| |2.050584|2.138455|1.914238|1.917774|2.146136|2.482273|2.473956|3.907634|3.512417|3.990280|5.512749|0.130376|3.128852|2.895976|4.134683|3.592194|3.399019|5.357467|3.629152|5.611315|3.722869|5.682501|3.478078|2.789913|2.478029|2.556637|3.046726|3.715146|5.107635|7.859067|9.033833|17.773479|8.713484|12.873077|7.695147|6.858739|2.061380|0.054816|0.061848|0.052034|0.048512|0.048640|0.076495|0.108609|0.090444|0.135129|0.094411|0.084046|0.077976|0.069384|0.085356|0.144617|0.098794|0.083675|0.105066|0.090183|0.080484|0.115593|0.108971|0.085874|0.072156|0.060640|0.063325|0.083479|0.500000| |1.523628|1.560639|1.431718|1.434534|1.566866|1.742313|1.736822|2.651529|2.174194|2.416577|3.534492|0.078683|2.224890|2.034929|2.843130|2.868524|3.067478|5.367811|4.189585|6.199589|5.637980|9.503982|4.840314|3.915488|3.137755|2.936126|3.264898|4.203748|4.866266|9.661643|8.919010|5.781627|4.230383|6.057447|5.530784|17.600684|1.533798|0.040818|0.045365|0.039873|0.037065|0.037174|0.052323|0.064122|0.056682|0.074069|0.061628|0.063136|0.057348|0.051419|0.059296|0.091063|0.070822|0.068805|0.084974|0.079835|0.077287|0.119061|0.181009|0.131495|0.108044|0.076799|0.070335|0.081675|0.144815|0.500000| |1.625858|1.674809|1.533563|1.539750|1.689991|1.887065|1.875173|2.887147|2.441541|2.740328|3.857057|0.085813|2.351615|2.161424|3.078105|2.916263|3.042393|5.123822|3.646416|5.433414|4.291128|6.523487|3.654864|3.004302|2.548003|2.482498|2.809320|3.480345|4.289353|7.738599|8.990777|7.209034|4.655766|6.879622|5.425090|17.628136|1.652803|0.043834|0.048377|0.042076|0.039544|0.039784|0.056532|0.072262|0.064411|0.087218|0.069309|0.064975|0.060698|0.053861|0.062599|0.102360|0.077151|0.069481|0.084199|0.081657|0.074489|0.117181|0.138078|0.099917|0.081361|0.063112|0.060908|0.073305|0.213874|0.300124|0.500000| |1.535858|1.599947|1.479081|1.502090|1.660137|1.838839|1.796406|2.848634|2.361068|2.731160|3.983602|0.086643|2.439056|2.169508|3.380445|3.347633|3.757411|6.926260|4.880585|6.739257|6.210125|8.270521|4.190178|3.414275|2.783834|2.634252|2.941651|3.742370|4.491744|8.856052|8.846803|6.065717|4.331229|6.385096|5.338322|17.570107|1.649843|0.041127|0.045331|0.040038|0.038089|0.038994|0.053614|0.068218|0.061629|0.085240|0.070419|0.068466|0.063661|0.054440|0.061966|0.112751|0.084836|0.078425|0.095403|0.100457|0.091184|0.170911|0.235787|0.136173|0.094536|0.068721|0.063789|0.074827|0.157406|0.301700|0.302390|0.500000| |3.006940|3.929407|4.290841|5.884457|8.817499|6.629719|4.553387|8.989725|4.673688|4.180827|5.274181|0.094487|4.791592|5.559636|3.231150|2.867100|2.398764|2.869765|1.934549|3.487148|1.711923|2.306007|1.672749|1.527001|1.508496|1.618435|1.792595|1.826556|1.996243|2.545417|1.879166|2.077959|2.343137|4.772760|3.034724|1.681522|17.554618|0.076244|0.078597|0.078733|0.099657|0.153173|0.107343|0.106593|0.126103|0.094971|0.129082|0.111424|0.154242|0.174078|0.119910|0.079020|0.095095|0.085986|0.075193|0.067107|0.063317|0.055967|0.046517|0.044251|0.039856|0.039063|0.043677|0.052719|0.057217|0.043268|0.046161|0.046664|0.500000| |3.008395|3.931081|4.282449|5.860829|8.823304|6.670864|4.567061|9.090538|5.431459|4.727925|5.294082|0.094791|4.272551|4.796812|3.255483|2.747725|2.342152|2.849985|1.895743|3.346941|1.699532|2.292162|1.635735|1.483651|1.449387|1.542223|1.713134|1.773075|1.969216|2.551696|1.928743|2.161697|2.393215|4.946815|3.002054|1.741016|17.563873|0.078838|0.078609|0.076245|0.099399|0.152167|0.107738|0.117692|0.165548|0.108900|0.152547|0.097167|0.133037|0.131137|0.108245|0.082199|0.097439|0.079358|0.071463|0.066707|0.060606|0.056622|0.046817|0.043647|0.038910|0.037474|0.041321|0.050009|0.060870|0.044422|0.048441|0.048336|0.302902|0.500000| 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