Version2.0 2020-02-16T23:00:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN(C1CCCCC1)S(=O)(=O)c2ccc3c(c2)[C@@H]4C=CC[C@H]4[C@H](N3)c5cc(c(c(c5)OC)OC)OC C20683102 RHF 6-31G(d) (6D,7F) CN(C1CCCCC1)S(=O)(=O)c2ccc3c(c2)[C@@H]4C=CC[C@H]4[C@H](N3)c5cc(c(c(c5)OC)OC)OC C01[X(C28H36N2O5S1)] 210 C1 616 COc1cc(cc(c1OC)OC)[C@H]1Nc2ccc(cc2[C@H]2[C@H]1CC=C2)S(=O)(=O)N(C1CCCCC1)C COc1cc(cc(c1OC)OC)[C@H]1Nc2ccc(cc2[C@H]2[C@H]1CC=C2)S(=O)(=O)N(C1CCCCC1)C COc1cc(cc(OC)c1OC)[C@H]2Nc3ccc(cc3[C@@H]4C=CC[C@@H]24)[S](=O)(=O)N(C)C5CCCCC5 InChIKey=YQRYSJPPTGGJBR-VHFRWLAGSA-N InChI=1S/C28H36N2O5S/c1-30(19-9-6-5-7-10-19)36(31,32)20-13-14-24-23(17-20)21-11-8-12-22(21)27(29-24)18-15-25(33-2)28(35-4)26(16-18)34-3/h8,11,13-17,19,21-22,27,29H,5-7,9-10,12H2,1-4H3/t21-,22-,27-/m1/s1 InChI=1/C28H36N2O5S/c1-30(19-9-6-5-7-10-19)36(31,32)20-13-14-24-23(17-20)21-11-8-12-22(21)27(29-24)18-15-25(33-2)28(35-4)26(16-18)34-3/h8,11,13-17,19,21-22,27,29H,5-7,9-10,12H2,1-4H3/t21-,22-,27-/m1/s1 CN(C1CCCCC1)S(=O)(=O)c2ccc3c(c2)[C@@H]4C=CC[C@H]4[C@H](N3)c5cc(c(c(c5)OC)OC)OC C01[X(C28H36N2O5S1)] 210 C01 616 COc1cc(cc(c1OC)OC)[C@H]1Nc2ccc(cc2[C@H]2[C@H]1CC=C2)S(=O)(=O)N(C1CCCCC1)C COc1cc(cc(c1OC)OC)[C@H]1Nc2ccc(cc2[C@H]2[C@H]1CC=C2)S(N(C1CCCCC1)C)(O)O COc1cc(cc(OC)c1OC)[C@H]2Nc3ccc(cc3[C@@H]4C=CC[C@@H]24)[S](O)(O)N(C)C5CCCCC5 InChIKey=QPKCLFFZDWFARQ-VHFRWLAGSA-N InChI=1S/C28H38N2O5S/c1-30(19-9-6-5-7-10-19)36(31,32)20-13-14-24-23(17-20)21-11-8-12-22(21)27(29-24)18-15-25(33-2)28(35-4)26(16-18)34-3/h8,11,13-17,19,21-22,27,29,31-32H,5-7,9-10,12H2,1-4H3/t21-,22-,27-/m1/s1 InChI=1/C28H38N2O5S/c1-30(19-9-6-5-7-10-19)36(31,32)20-13-14-24-23(17-20)21-11-8-12-22(21)27(29-24)18-15-25(33-2)28(35-4)26(16-18)34-3/h8,11,13-17,19,21-22,27,29,31-32H,5-7,9-10,12H2,1-4H3/t21-,22-,27-/m1/s1 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4614.94 4615.54 4617.41 4617.91 4624.73 4626.21 4652.42 4653.46 4662.85 4672.53 4675.08 4695.47 4705.43 4708.52 4720.58 4747.93 4751.45 4772.20 4789.06 4790.44 4829.41 4832.66 4853.78 4881.63 4889.80 4903.35 4903.90 4938.89 5554.06 0.654357 0.686795 0.687739 0.587020 -1961.200319 -1961.167881 -1961.166937 -1961.267655 3.378098D-04 MUNgauss RevisionA2.0 retrievium 16-Feb-2020 DUDE CN(C1CCCCC1)S(=O)(=O)c2ccc3c(c2)[C@@H]4C=CC[C@H]4[C@H](N3)c5cc(c(c(c5)OC)OC)OC C20683102 RHF 6-31G(d) (6D,10F) C1 512.234494 |X|Y|Z| 140.942535 66.740139 35.683971 69.497223 27 6 7 16 24 2 1 |36.858105| |13.072666|53.358707| |7.535443|17.594057|36.858105| |6.354056|10.313086|12.416013|36.858105| |4.272735|6.728980|7.548574|12.426935|36.858105| |3.895576|5.973040|6.441040|7.521830|12.443496|36.858105| |4.135787|6.773414|7.538847|6.440281|7.541761|12.443680|36.858105| |5.923913|10.493720|12.428814|7.524209|6.444099|7.515618|12.431458|36.858105| |7.185617|15.813561|7.079117|5.132397|3.839602|3.379918|3.793293|5.033303|388.023441| |5.014711|10.505768|6.584409|4.627082|3.792024|3.415487|4.009772|5.056660|94.594435|73.516695| |6.701765|10.533565|4.984018|3.937652|3.074442|2.817039|3.136700|4.076174|94.602575|13.596534|73.516695| |5.535287|9.394668|5.451289|4.914111|3.734587|3.086162|3.206946|3.868726|76.759140|13.127914|13.137403|36.858105| |4.243927|7.227426|4.996707|4.782353|3.907838|3.125692|3.181134|3.606402|49.462735|11.546253|8.878502|13.744560|36.858105| |3.473128|5.414894|3.839635|3.971640|3.420751|2.742910|2.696737|2.945101|33.668809|7.876990|6.856084|7.952060|13.806430|36.858105| |3.371315|4.904091|3.336671|3.508785|2.986277|2.448626|2.387567|2.631353|29.783101|6.561257|6.571261|6.843433|7.902050|13.649359|36.858105| |3.928675|5.450241|3.463381|3.559029|2.904575|2.428582|2.398169|2.729306|33.615822|6.819053|7.866388|7.904927|6.832491|7.871674|13.528565|36.858105| |5.158809|7.312189|4.243946|4.108096|3.186976|2.682976|2.720901|3.230805|49.426231|8.835834|11.497085|13.683047|7.929034|6.885481|7.924685|13.835179|36.858105| |3.329811|4.373503|2.814771|2.927108|2.458803|2.109199|2.066899|2.322414|25.549648|5.326635|6.387087|4.974243|4.439631|5.068808|7.740530|12.645482|7.429914|36.858105| |3.301837|4.233887|2.782114|2.995609|2.524458|2.152004|2.069778|2.306035|23.462905|4.919253|5.766101|4.405067|4.029774|4.606885|6.672452|9.009363|6.096988|17.460547|0.500000| |3.215953|4.089658|2.569553|2.598075|2.189299|1.932424|1.921769|2.180552|23.874156|4.945886|6.413744|4.205379|3.591015|3.791902|4.968677|7.215218|6.045640|12.585653|0.249652|36.858105| |2.631400|3.392662|2.188092|2.215220|1.917864|1.711477|1.699737|1.896363|19.644779|4.232056|5.244019|3.343935|3.002102|3.233917|4.131515|5.216226|4.374840|8.171810|0.186337|14.423104|36.858105| |2.370714|3.131987|2.077931|2.135761|1.883190|1.665885|1.638544|1.796832|18.079482|4.000710|4.639147|3.153440|2.990047|3.395428|4.472240|5.092059|3.960971|7.858568|0.187556|8.078290|12.555287|36.858105| |2.664701|3.603132|2.393531|2.473289|2.158606|1.870450|1.835610|2.017779|21.243048|4.675431|5.277960|3.980103|3.858111|4.654374|6.928545|7.726656|5.148953|12.408478|0.245553|8.086089|8.116612|12.408235|36.858105| |2.633633|3.639622|2.401673|2.422642|2.118639|1.846487|1.837310|2.025627|22.249816|4.960365|5.567846|4.185119|4.074346|4.859837|6.884174|7.469007|5.293459|9.049426|0.176070|7.093027|7.075989|9.015367|17.527258|0.500000| |2.467962|3.400524|2.343508|2.481033|2.217769|1.896480|1.832942|1.973505|19.624539|4.449390|4.682053|3.683901|3.866342|5.058923|7.521681|6.372954|4.372622|7.502325|0.194946|5.075252|5.013115|7.084469|12.420757|0.251278|36.858105| |2.212017|3.082080|2.140385|2.235636|2.032248|1.757683|1.710085|1.826324|17.935731|4.164630|4.298495|3.270025|3.490741|4.490748|5.963698|5.013216|3.725926|5.549818|0.141043|4.250115|4.410977|6.271014|8.955140|0.229759|17.531846|0.500000| |2.764045|3.924089|2.742679|2.935426|2.607803|2.171104|2.089241|2.247101|22.857696|5.208783|5.211814|4.577221|5.195318|7.924916|13.819343|7.872386|5.195078|6.914530|0.179786|4.530558|4.095442|4.925050|7.904159|0.198749|13.028901|0.255673|53.358707| |2.280471|3.078701|2.156730|2.338131|2.122523|1.822544|1.732842|1.844116|17.062027|3.877258|4.079162|3.058707|3.177644|3.955504|5.259911|4.756961|3.551996|5.768413|0.178928|4.296981|4.361197|5.983211|7.348712|0.152911|12.484482|0.250617|10.470652|36.858105| |2.420251|3.227756|2.291094|2.561762|2.326999|1.973974|1.842317|1.951879|17.325683|3.906698|4.087021|3.083473|3.196466|3.910025|5.012905|4.597823|3.540212|5.302057|0.183627|3.968592|3.810124|4.636323|5.512615|0.120406|7.491014|0.158499|8.982649|13.756466|36.858105| |2.161365|2.851816|2.046836|2.298552|2.130651|1.836422|1.700720|1.781837|15.003038|3.415494|3.568335|2.558445|2.629545|3.081040|3.685299|3.491764|2.870016|3.973561|0.133948|3.265414|3.218771|3.785570|4.076032|0.093407|4.990374|0.118139|6.097029|7.925162|13.687812|36.858105| |1.892765|2.503602|1.791731|1.973213|1.846513|1.620236|1.515559|1.582774|13.290305|3.057277|3.202548|2.223539|2.277945|2.635703|3.101196|2.964522|2.479437|3.415204|0.109389|2.949987|3.042543|3.660678|3.694764|0.086293|4.417789|0.111926|5.115229|6.835837|7.890552|13.705360|36.858105| |1.823238|2.432325|1.725669|1.865898|1.739955|1.533745|1.453239|1.523912|13.173517|3.044496|3.198850|2.215253|2.273192|2.653145|3.161268|3.007272|2.483995|3.530135|0.108303|3.075058|3.298367|4.221774|4.124234|0.096273|5.023509|0.134170|5.361763|7.910450|6.857849|7.932444|13.686895|36.858105| |1.970727|2.653183|1.864639|1.998805|1.842215|1.611290|1.538678|1.626260|14.662259|3.376828|3.556235|2.530265|2.610192|3.129200|3.885890|3.630587|2.881123|4.364892|0.130012|3.639751|3.943368|5.516461|5.632897|0.126710|7.606710|0.205404|7.023872|13.720407|7.936345|6.874253|7.904219|13.712430|36.858105| |1.622078|2.165177|1.539017|1.648788|1.551003|1.384855|1.318098|1.376280|11.719949|2.732447|2.867106|1.929796|1.973813|2.259758|2.618369|2.515877|2.137446|2.903833|0.086674|2.641281|2.881712|3.582919|3.364822|0.081805|3.871245|0.108451|4.284262|5.197398|4.623408|5.298672|8.223686|14.165531|7.883125|73.516695| |1.539491|2.066434|1.461378|1.544048|1.451492|1.303969|1.253168|1.311137|11.322889|2.655059|2.790623|1.855117|1.894846|2.159306|2.488597|2.398723|2.050573|2.762508|0.079665|2.568747|2.874567|3.624376|3.303429|0.082554|3.696369|0.108905|4.038429|4.521039|3.798016|3.989779|5.267958|8.019040|6.739542|24.212339|36.858105| |1.725475|2.271324|1.635977|1.801531|1.705800|1.515525|1.413361|1.465831|11.918871|2.757850|2.883284|1.947076|1.984912|2.244062|2.561328|2.479336|2.141205|2.799165|0.088311|2.509124|2.587952|2.987812|2.950316|0.071010|3.362106|0.087335|4.055362|4.600173|5.216053|7.998261|14.058099|7.998269|5.222324|12.744537|4.702098|73.516695| |1.598216|2.126054|1.551139|1.710397|1.647584|1.468212|1.364004|1.398514|11.130030|2.608282|2.671913|1.803619|1.864517|2.105076|2.341150|2.221370|1.943444|2.425491|0.074880|2.170907|2.218932|2.537088|2.560585|0.063188|2.958609|0.078770|3.693843|3.853496|4.294493|5.970281|8.152850|5.963441|4.296116|10.420458|4.167042|24.089720|36.858105| |2.167790|2.834146|2.062925|2.363451|2.216278|1.911952|1.742744|1.810679|14.530739|3.311220|3.437037|2.423964|2.481318|2.827873|3.246062|3.116908|2.668028|3.410285|0.114559|2.883763|2.781274|3.097167|3.314712|0.078474|3.842007|0.092822|5.045222|5.205262|7.885006|14.163432|8.230323|5.298250|4.630591|7.315331|3.218801|12.743122|5.872946|73.516695| |2.471177|3.208940|2.361255|2.794210|2.604711|2.204990|1.973738|2.051106|16.067988|3.629310|3.745226|2.683843|2.741141|3.081851|3.474238|3.355597|2.926071|3.521004|0.119808|2.938428|2.725976|2.927130|3.231742|0.077459|3.657281|0.086963|5.137967|4.528969|6.748145|8.017492|5.270451|3.989450|3.802834|5.722182|2.666794|8.358503|4.171982|24.205997|36.858105| |17.524558|12.186326|6.373880|6.468401|4.277809|3.706628|3.696142|4.848360|43.946119|7.813385|10.145664|5.796122|4.445355|3.769616|3.786260|4.533712|5.864566|3.850022|0.108959|3.633938|2.906879|2.616812|2.969011|0.079759|2.746728|0.067100|4.200048|2.558632|2.764238|2.447750|2.108417|2.012211|2.177327|3.146922|1.664899|3.392393|1.751754|4.379632|2.857290|0.500000| |17.679755|12.456300|5.605791|4.701368|3.459231|3.243234|3.506755|4.821508|49.031006|8.479615|14.192434|5.137557|3.857285|3.203847|3.179122|3.801499|5.051450|3.310991|0.089390|3.348447|2.732958|2.402646|2.653502|0.073547|2.398068|0.060080|3.576360|2.200902|2.296749|2.055095|1.822662|1.773088|1.921311|2.821585|1.517977|2.957770|1.534650|3.627199|2.282248|0.299631|0.500000| |17.630080|12.515037|7.175255|6.311332|4.430172|4.291325|4.550069|6.660743|38.259441|7.539183|8.989396|4.296011|3.550888|2.993468|2.893645|3.262195|4.019179|2.855785|0.080006|2.772254|2.328439|2.119564|2.344900|0.064042|2.205355|0.055350|3.329863|2.076739|2.221340|2.022189|1.779571|1.702148|1.815900|2.710990|1.443793|2.918589|1.529926|3.658918|2.354698|0.300977|0.302634|0.500000| |5.631916|12.606056|17.641168|8.930280|6.953510|5.788643|6.965323|9.003955|51.713084|14.545574|8.581311|5.732790|5.714998|4.196941|3.464129|3.467302|4.194721|2.766973|0.074856|2.496656|2.145725|2.064457|2.404043|0.067938|2.380526|0.061010|3.851388|2.160837|2.267308|2.011743|1.769269|1.718031|1.869143|2.727110|1.464002|2.861056|1.534721|3.568595|2.271592|0.139265|0.127990|0.144092|0.500000| |5.931350|9.440635|8.817283|17.546400|8.801398|5.483229|4.831302|5.487922|38.035099|8.302093|7.180681|5.892860|5.941088|4.967520|4.322445|4.300635|4.889721|3.406265|0.097395|2.911330|2.451942|2.388006|2.835213|0.076572|2.877801|0.070933|4.783384|2.688293|2.974517|2.607174|2.199633|2.076794|2.248872|3.220038|1.688378|3.518382|1.869224|4.726702|3.182232|0.184370|0.125880|0.149845|0.214261|0.500000| |7.015124|9.317537|8.806639|17.520374|8.875902|6.806231|5.674741|6.784610|32.261634|6.993692|6.649872|4.311032|4.008242|3.466449|3.223373|3.375629|3.866667|2.878754|0.083324|2.602937|2.215931|2.112189|2.403262|0.064601|2.383349|0.059362|3.741954|2.285763|2.531609|2.304760|1.976580|1.852769|1.964761|2.915318|1.528770|3.232560|1.716203|4.271804|2.871282|0.207424|0.139745|0.213472|0.174253|0.303010|0.500000| |3.791108|6.244864|6.814046|8.841255|17.497640|8.852103|6.792756|5.665949|27.332204|7.112387|5.369056|3.814108|4.225515|3.679576|3.087535|2.912248|3.164935|2.431717|0.068489|2.145622|1.891320|1.876910|2.171633|0.059799|2.257522|0.057982|3.667275|2.135791|2.314129|2.102101|1.830387|1.739305|1.853932|2.758598|1.458920|2.992299|1.635741|3.839871|2.501654|0.104757|0.087851|0.105205|0.205884|0.214204|0.173951|0.500000| |3.769491|5.565866|5.498534|8.831759|17.536239|8.808381|5.490903|4.832294|23.503607|5.694882|4.861515|3.365378|3.548073|3.265404|2.918889|2.811954|2.987276|2.428138|0.070510|2.146656|1.893192|1.875852|2.142232|0.057683|2.231775|0.056612|3.555826|2.179324|2.433570|2.256441|1.939871|1.804276|1.891287|2.852145|1.488245|3.201437|1.747643|4.249971|2.862559|0.109217|0.086343|0.108620|0.141720|0.212263|0.215537|0.303568|0.500000| |3.189945|4.831099|4.835579|5.484217|8.817048|17.535500|8.813072|5.481428|20.605291|5.310708|4.366872|2.704570|2.797099|2.511942|2.243256|2.193455|2.376564|1.925819|0.054611|1.764765|1.581248|1.552517|1.735327|0.047623|1.776385|0.046097|2.755277|1.717861|1.857047|1.743044|1.548014|1.465120|1.531000|2.364154|1.252875|2.589509|1.423671|3.235441|2.083049|0.085434|0.076076|0.095858|0.129287|0.123081|0.139707|0.214771|0.211653|0.500000| |3.976987|5.682964|5.649691|6.782360|8.854926|17.494016|8.848337|6.762798|22.453385|5.477175|4.827304|2.885544|2.846923|2.534388|2.322420|2.342967|2.582720|2.070554|0.059224|1.916598|1.697612|1.641489|1.823921|0.049655|1.836650|0.047106|2.823251|1.783326|1.943972|1.825917|1.611267|1.516389|1.582106|2.437878|1.287232|2.695560|1.463933|3.411012|2.224357|0.105820|0.091841|0.127569|0.133142|0.139365|0.200702|0.173775|0.214642|0.303353|0.500000| |3.686126|6.272314|6.791246|5.648125|6.786110|8.854433|17.500804|8.852004|26.949391|7.583756|5.473052|3.232505|3.312740|2.788629|2.415112|2.382651|2.687630|2.035524|0.056128|1.880973|1.671961|1.624277|1.830452|0.051311|1.840080|0.048035|2.876064|1.725529|1.819176|1.671396|1.494710|1.442043|1.533797|2.328006|1.249944|2.470931|1.347009|3.021437|1.908796|0.092637|0.088821|0.107264|0.205733|0.126419|0.131220|0.199868|0.139358|0.214956|0.173749|0.500000| |3.614812|5.612497|5.495756|4.834865|5.491600|8.809864|17.540361|8.831848|23.156452|6.100616|4.997567|2.755809|2.710353|2.341995|2.108198|2.129413|2.395504|1.868858|0.052011|1.760778|1.571048|1.511023|1.672263|0.046506|1.663922|0.043353|2.544783|1.582304|1.676406|1.562248|1.403935|1.347548|1.418806|2.187601|1.172665|2.343987|1.275136|2.851566|1.802168|0.089595|0.088050|0.112687|0.141968|0.106515|0.127087|0.139390|0.123133|0.211384|0.214636|0.303703|0.500000| |6.445431|9.486531|8.810994|6.763351|5.645974|6.758708|8.856031|17.512109|31.824681|7.482768|6.888933|3.531044|3.213336|2.697113|2.482409|2.622241|3.087578|2.280326|0.063535|2.170425|1.886569|1.771901|1.965573|0.054340|1.908319|0.048863|2.914894|1.802881|1.919844|1.767943|1.571267|1.505197|1.595677|2.420569|1.293600|2.600753|1.390528|3.217532|2.057253|0.143768|0.144555|0.233516|0.174993|0.139139|0.199190|0.130996|0.126336|0.139000|0.198560|0.173893|0.215650|0.500000| |5.373990|9.730049|8.890088|5.505353|4.846309|5.480138|8.790596|17.572343|36.903480|9.854366|7.675960|3.744664|3.452425|2.798135|2.501107|2.607215|3.112687|2.225515|0.060539|2.119120|1.852261|1.746519|1.950976|0.055015|1.891149|0.049006|2.908335|1.752031|1.829366|1.668184|1.495693|1.452777|1.555521|2.344502|1.265411|2.462987|1.321698|2.986615|1.876501|0.119398|0.131223|0.160305|0.218426|0.123655|0.139571|0.127250|0.106674|0.123015|0.138828|0.215089|0.210924|0.302911|0.500000| |3.963403|7.102726|5.334266|4.871716|4.181898|3.357996|3.493957|3.873571|47.136000|13.268116|8.191608|8.922489|17.750524|8.944798|5.632707|4.933903|5.643112|3.551780|0.091516|2.997456|2.575834|2.570972|3.196329|0.093823|3.251671|0.083896|5.722554|2.754970|2.782454|2.352280|2.062581|2.053280|2.320948|3.211754|1.739900|3.240197|1.733912|3.999931|2.481387|0.110554|0.099447|0.094995|0.187059|0.159480|0.109383|0.132118|0.102393|0.084020|0.082614|0.104778|0.081670|0.092554|0.104062|0.500000| |2.985172|4.644531|3.443634|3.606902|3.290312|2.647935|2.579022|2.725112|27.827999|6.902905|5.755896|5.654269|8.946846|17.703610|8.888722|5.609788|4.957650|4.137730|0.107707|3.206197|2.842969|3.058265|4.058241|0.117302|4.699613|0.121703|9.847378|3.794744|3.739952|3.002766|2.595566|2.618308|3.065058|3.991050|2.147826|3.946967|2.120362|4.911196|2.976723|0.088657|0.076552|0.073527|0.106235|0.122024|0.087179|0.101003|0.088396|0.068724|0.067357|0.075166|0.062521|0.069013|0.071979|0.216023|0.500000| |5.631139|7.281927|4.009967|3.796793|2.945093|2.556311|2.620408|3.167527|47.367269|8.169686|13.201498|8.935890|5.654144|4.961724|5.636452|8.960611|17.751574|6.798505|0.158104|6.663896|4.615582|3.881282|4.664828|0.131826|3.805476|0.091460|5.710181|3.208726|3.202811|2.672452|2.341668|2.343621|2.676860|3.627859|1.964963|3.641078|1.848243|4.457516|2.733645|0.176576|0.165907|0.119233|0.106402|0.119475|0.103222|0.079669|0.076705|0.062731|0.069530|0.070874|0.064999|0.086209|0.085753|0.124373|0.107663|0.500000| |3.602529|4.429681|2.703014|2.690334|2.233492|1.991825|1.998526|2.305612|25.650116|5.168737|7.217080|4.293143|3.500223|3.511919|4.333251|6.262983|6.171536|8.295017|0.191427|17.730040|8.948443|5.611852|5.629289|0.146969|4.022685|0.096255|5.185137|3.529329|3.398552|2.888938|2.608783|2.664115|3.047402|4.140199|2.259979|4.041339|1.987188|4.689260|2.742627|0.112873|0.107644|0.085257|0.071846|0.082471|0.075839|0.060182|0.060339|0.050149|0.055246|0.053895|0.051000|0.064403|0.062494|0.082079|0.082361|0.216312|0.500000| |2.429253|3.110071|2.008101|2.016605|1.759730|1.591931|1.588614|1.769807|17.851469|3.882588|4.850655|2.912889|2.615055|2.757584|3.366470|4.101581|3.666191|5.650787|0.138588|8.947714|17.719633|8.338723|5.649428|0.146690|3.962419|0.101027|4.536548|3.596752|3.208438|2.825002|2.733780|2.958295|3.407158|4.748293|2.703535|4.245838|2.058804|4.424678|2.429114|0.073430|0.070992|0.060422|0.054548|0.061041|0.056379|0.048083|0.048206|0.040977|0.044051|0.043331|0.041110|0.049181|0.048306|0.063601|0.068405|0.110032|0.206946|0.500000| |2.135383|2.855220|1.907926|1.941780|1.733818|1.546655|1.529746|1.667006|16.601484|3.746909|4.272091|2.836060|2.731246|3.084541|3.891666|4.219170|3.427527|5.672032|0.136830|5.934369|8.716447|17.543583|8.679319|0.223869|6.039819|0.169207|5.879187|5.092935|3.915998|3.313176|3.323822|3.956518|5.128672|6.253829|3.757284|4.921005|2.395046|4.869862|2.567420|0.064359|0.060347|0.053423|0.053083|0.059731|0.053068|0.048314|0.047850|0.040276|0.042206|0.042354|0.039365|0.045506|0.045323|0.066382|0.078889|0.093213|0.126205|0.201853|0.500000| |2.249017|2.941612|1.976969|2.063671|1.834959|1.624774|1.582035|1.721440|16.547885|3.677605|4.206666|2.841607|2.723509|3.094839|3.997190|4.406735|3.491486|6.541345|0.182304|6.448754|8.848655|17.537613|8.672748|0.174657|6.559480|0.159019|6.185838|6.719896|5.215714|4.398085|4.378035|5.151267|6.630362|7.592760|4.206972|6.228878|2.872524|6.214940|3.192890|0.069427|0.062786|0.056547|0.054220|0.063948|0.057188|0.050535|0.051317|0.042208|0.044716|0.043384|0.040634|0.047426|0.046184|0.065793|0.078743|0.095208|0.134470|0.192132|0.302232|0.500000| |2.536572|3.658066|2.625627|2.819705|2.578672|2.144542|2.054627|2.170979|21.126841|4.975539|4.753515|4.078280|4.886907|7.546867|9.447527|5.793556|4.311185|5.080507|0.135930|3.669686|3.408955|4.059445|5.798634|0.154588|9.123842|0.229052|26.059968|6.616720|5.850891|4.224749|3.612611|3.784159|4.822562|5.465332|2.905527|5.159947|2.721602|6.316889|3.593218|0.077460|0.066600|0.063230|0.076335|0.093047|0.072552|0.075239|0.072120|0.056160|0.056456|0.058281|0.051100|0.057059|0.057352|0.115327|0.227868|0.098569|0.088421|0.079683|0.103454|0.106461|0.500000| |2.748589|3.674187|2.617773|2.990557|2.674626|2.219406|2.054104|2.186545|19.532868|4.353722|4.519453|3.568382|3.723046|4.616253|6.000762|5.395627|4.096825|5.780424|0.207191|4.117429|3.731900|4.286421|5.394954|0.120659|6.959513|0.144142|10.116717|8.962224|17.804117|8.882540|5.626058|4.951269|5.659208|6.525645|3.141527|7.488637|3.637714|12.565059|7.516906|0.088769|0.071262|0.069530|0.071681|0.099092|0.081747|0.073617|0.078012|0.057501|0.060549|0.056184|0.051396|0.059573|0.056368|0.088484|0.119852|0.100391|0.099749|0.086773|0.099937|0.126719|0.177385|0.500000| |1.871452|2.536297|1.774497|1.873277|1.729301|1.524278|1.469721|1.555021|14.210555|3.298036|3.474813|2.435121|2.510732|2.989139|3.663562|3.435482|2.759368|4.094640|0.115286|3.538684|3.973002|5.770797|5.611652|0.132847|7.126887|0.225347|6.491893|8.937564|5.655058|4.955668|5.629104|8.894199|17.754740|12.570981|7.517442|7.493650|3.634560|6.529558|3.143171|0.056790|0.051109|0.047834|0.049704|0.058125|0.050921|0.048588|0.048897|0.040296|0.041453|0.040873|0.037754|0.042263|0.041634|0.062350|0.081670|0.071561|0.082103|0.096666|0.163314|0.182987|0.125430|0.124630|0.500000| |1.530538|2.075355|1.473188|1.552103|1.464862|1.312774|1.264011|1.318719|11.454655|2.706799|2.806414|1.886317|1.951147|2.245597|2.570948|2.425238|2.066180|2.737728|0.077689|2.506241|2.776250|3.529180|3.339567|0.085099|3.865740|0.119205|4.238333|4.569695|3.730234|3.774275|4.730794|6.987216|6.724303|16.428333|17.556898|7.328971|3.846711|5.420696|2.572024|0.045799|0.041836|0.039792|0.041281|0.047248|0.042365|0.041185|0.041627|0.035111|0.035804|0.035199|0.032801|0.035945|0.035412|0.049909|0.062802|0.054460|0.061159|0.071877|0.103374|0.109258|0.086455|0.086646|0.227607|0.500000| |1.590152|2.124767|1.487774|1.561862|1.455091|1.309160|1.264811|1.332913|11.713540|2.729056|2.914789|1.921000|1.938783|2.198342|2.566419|2.524406|2.151350|2.981683|0.085096|2.833227|3.275203|4.229531|3.632805|0.090276|3.881067|0.113923|4.122454|4.602229|3.763073|3.817263|4.802200|7.079296|6.754239|16.443934|17.562014|7.467237|3.595021|5.472882|2.599418|0.047795|0.043846|0.041246|0.041313|0.047430|0.043042|0.040527|0.041228|0.034790|0.035945|0.034989|0.032879|0.036589|0.035834|0.049148|0.059952|0.057718|0.068523|0.086243|0.124887|0.139692|0.080587|0.087172|0.224118|0.298893|0.500000| |1.422924|1.907258|1.353008|1.426777|1.349144|1.220894|1.173853|1.223760|10.396086|2.448272|2.568667|1.679779|1.711670|1.925484|2.181853|2.115540|1.841024|2.403396|0.069224|2.273233|2.528079|3.065551|2.795104|0.071008|3.056348|0.089337|3.460981|3.622177|3.189148|3.416894|4.428590|5.889515|4.911479|17.021147|17.647329|7.637229|3.960879|5.122376|2.409555|0.042534|0.039032|0.037287|0.037608|0.043015|0.039345|0.037621|0.038453|0.032693|0.033550|0.032504|0.030644|0.033610|0.032855|0.044018|0.053333|0.049330|0.056450|0.067259|0.088471|0.097074|0.069594|0.075214|0.146673|0.300078|0.299994|0.500000| |1.659450|2.216272|1.632341|1.820039|1.766690|1.563451|1.439827|1.467718|11.526641|2.707219|2.740164|1.872958|1.953855|2.213666|2.436848|2.282016|2.000063|2.443480|0.075797|2.153964|2.162616|2.451651|2.541581|0.062908|2.978096|0.078509|3.839085|3.844149|4.490030|6.278065|7.209253|5.184908|4.038399|8.416409|3.566245|16.443975|17.572775|12.031598|4.793163|0.050640|0.043907|0.044220|0.044891|0.055449|0.050624|0.048763|0.052519|0.042218|0.043239|0.039506|0.037278|0.040461|0.038331|0.050615|0.062389|0.052438|0.055011|0.055344|0.063807|0.075888|0.079487|0.108459|0.094411|0.094749|0.087426|0.092871|0.500000| |1.529921|2.051557|1.495822|1.634903|1.578192|1.408725|1.316944|1.348988|10.846309|2.558354|2.605014|1.760410|1.832005|2.080312|2.307233|2.166231|1.889784|2.356954|0.071445|2.110659|2.179407|2.529030|2.549962|0.063534|2.983758|0.081574|3.685332|3.843724|4.037978|5.192866|7.209191|6.267804|4.490094|11.985952|4.781846|16.443304|17.571276|8.434003|3.571418|0.046294|0.040940|0.040564|0.041386|0.049616|0.045233|0.043849|0.046207|0.038024|0.038811|0.036318|0.034213|0.037088|0.035577|0.047447|0.058705|0.049754|0.053394|0.056243|0.067472|0.078973|0.076398|0.094549|0.108274|0.125220|0.108908|0.127422|0.298589|0.500000| |1.502726|1.990469|1.453506|1.598332|1.545920|1.390912|1.292605|1.322267|10.362239|2.432162|2.499063|1.656647|1.701122|1.893243|2.084470|2.002379|1.778402|2.179673|0.066918|1.988283|2.034600|2.282667|2.273746|0.056654|2.556605|0.068294|3.218969|3.207293|3.534053|4.674244|5.909500|4.672117|3.535751|8.632594|3.667033|16.901215|17.627057|8.639731|3.668889|0.045556|0.040183|0.040210|0.039823|0.048069|0.044789|0.042470|0.045566|0.037563|0.038699|0.035373|0.033738|0.036667|0.034751|0.044200|0.052818|0.047386|0.051108|0.053098|0.060184|0.071399|0.065632|0.085875|0.085848|0.093090|0.089403|0.100889|0.299715|0.299721|0.500000| |2.334137|3.013150|2.241570|2.662971|2.531415|2.175962|1.928439|1.983223|14.853048|3.379080|3.473098|2.411140|2.450501|2.687016|2.941586|2.871474|2.585756|2.980697|0.098533|2.577406|2.406150|2.538586|2.742767|0.067072|3.029689|0.073942|4.251674|3.627150|4.915639|5.889366|4.430902|3.416922|3.192703|5.122680|2.409709|7.637724|3.966216|17.022118|17.645975|0.074217|0.059827|0.062885|0.059537|0.082248|0.077062|0.066872|0.078303|0.057522|0.061649|0.051502|0.049280|0.055691|0.050255|0.062679|0.072601|0.068053|0.068063|0.060647|0.062780|0.076500|0.083734|0.146666|0.075251|0.064345|0.065014|0.061629|0.127764|0.093011|0.100958|0.500000| 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