Version2.0 2020-01-24T03:07:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1COc2ccc(cc2)C(=O)C3=C(C(=O)N([C@H]3c4ccc(cc4)O)CC[NH+](C)C)[O-] C09313125 RHF 6-31G(d) (6D,7F) Cc1ccccc1COc2ccc(cc2)C(=O)C3=C(C(=O)N([C@H]3c4ccc(cc4)O)CC[NH+](C)C)[O-] C01[X(C29H30N2O5)] 192 C1 600 C[NH+](CCN1[C@@H](c2ccc(cc2)O)C(=C(C1=O)[O-])C(=O)c1ccc(cc1)OCc1ccccc1C)C C[NH+](CCN1[C@@H](c2ccc(cc2)O)C(=C(C1=O)[O-])C(=O)c1ccc(cc1)OCc1ccccc1C)C C[NH+](C)CCN1[C@@H](c2ccc(O)cc2)C(=C([O-])C1=O)C(=O)c3ccc(OCc4ccccc4C)cc3 InChIKey=LMWDVAPFJMHALB-SANMLTNESA-N InChI=1S/C29H30N2O5/c1-19-6-4-5-7-22(19)18-36-24-14-10-21(11-15-24)27(33)25-26(20-8-12-23(32)13-9-20)31(17-16-30(2)3)29(35)28(25)34/h4-15,26,32,34H,16-18H2,1-3H3/t26-/m0/s1 InChI=1/C29H30N2O5/c1-19-6-4-5-7-22(19)18-36-24-14-10-21(11-15-24)27(33)25-26(20-8-12-23(32)13-9-20)31(17-16-30(2)3)29(35)28(25)34/h4-15,26,32,34H,16-18H2,1-3H3/t26-/m0/s1/f/h34h,30H Cc1ccccc1COc2ccc(cc2)C(=O)C3=C(C(=O)N([C@H]3c4ccc(cc4)O)CC[NH+](C)C)[O-] C01[X(C29H30N2O5)] 192 C01 600 C[NH+](CCN1[C@@H](c2ccc(cc2)O)C(=C(C1=O)[O-])C(=O)c1ccc(cc1)OCc1ccccc1C)C C[NH](CCN1[C@@H](c2ccc(cc2)O)[C@H](C(=O)C1=O)C(=O)c1ccc(cc1)OCc1ccccc1C)C C[NH](C)CCN1[C@H]([C@H](C(=O)C1=O)C(=O)c2ccc(OCc3ccccc3C)cc2)c4ccc(O)cc4 InChIKey=XSEMHDXTCMSRSZ-UIOOFZCWSA-N InChI=1S/C29H31N2O5/c1-19-6-4-5-7-22(19)18-36-24-14-10-21(11-15-24)27(33)25-26(20-8-12-23(32)13-9-20)31(17-16-30(2)3)29(35)28(25)34/h4-15,25-26,30,32H,16-18H2,1-3H3/t25-,26-/m0/s1 InChI=1/C29H31N2O5/c1-19-6-4-5-7-22(19)18-36-24-14-10-21(11-15-24)27(33)25-26(20-8-12-23(32)13-9-20)31(17-16-30(2)3)29(35)28(25)34/h4-15,25-26,30,32H,16-18H2,1-3H3/t25-,26-/m0/s1 3689.8295175993 -1598.7633076 1-A 25811.3720 129 471 600 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5333.89 5921.02 0.582835 0.614506 0.615450 0.514267 -1598.180472 -1598.148802 -1598.147858 -1598.249040 3.393661D-04 MUNgauss RevisionA2.0 retrievium 24-Jan-2020 DUDE Cc1ccccc1COc2ccc(cc2)C(=O)C3=C(C(=O)N([C@H]3c4ccc(cc4)O)CC[NH+](C)C)[O-] C09313125 RHF 6-31G(d) (6D,10F) C1 486.215472 |X|Y|Z| 46.266867 58.321747 142.369150 72.695161 26 6 7 8 24 1 1 |36.858105| |12.590641|36.858105| |7.589413|13.736099|36.858105| |5.017378|7.879561|13.741545|36.858105| |4.429213|6.832454|7.968710|13.797627|36.858105| |5.005318|7.909171|6.914977|7.952706|13.734131|36.858105| |7.498455|13.600206|7.937458|6.842560|7.901952|13.746543|36.858105| |6.512079|7.577018|5.034509|4.432561|5.006984|7.539033|12.584719|36.858105| |4.422196|5.169825|3.982684|3.841089|4.647838|7.023454|7.988111|13.645021|73.516695| |3.644878|3.911376|3.143674|3.019672|3.499409|4.692010|5.195581|8.004484|24.996542|36.858105| |2.915999|3.169371|2.689627|2.677846|3.144261|4.018657|4.056321|5.259215|14.551471|13.667754|36.858105| |2.502467|2.629190|2.273208|2.248597|2.562824|3.118693|3.184688|3.988722|9.411609|7.938437|13.850727|36.858105| |2.489725|2.520004|2.161836|2.091802|2.320201|2.786698|2.958617|3.774278|8.160277|6.807457|7.889869|13.646486|36.858105| |2.902243|2.853235|2.381138|2.247113|2.458140|2.993362|3.333270|4.505573|9.227525|7.948529|6.913778|8.007366|13.793945|36.858105| |3.632224|3.603189|2.883183|2.681738|2.962445|3.770074|4.397901|6.714627|13.965439|13.772641|7.936384|6.882701|7.860607|13.673705|36.858105| |2.100541|2.104854|1.846437|1.793586|1.961741|2.283859|2.396093|2.911094|5.979342|4.416358|5.027746|7.584662|12.559758|7.483390|4.974453|36.858105| |1.939199|1.960003|1.740715|1.706509|1.869972|2.153393|2.223456|2.637480|5.419571|3.855257|4.532653|6.624514|8.189287|5.486878|4.099303|15.770491|73.516695| |1.984780|1.957706|1.725845|1.664996|1.796097|2.064187|2.183776|2.620144|5.182197|3.664473|3.910960|5.163520|7.489650|6.096130|4.254155|13.206466|14.409458|36.858105| |1.757685|1.724266|1.539626|1.487047|1.588890|1.795711|1.890777|2.213964|4.284030|2.903153|3.065799|3.829931|4.938383|4.329715|3.294909|7.545547|11.468949|13.521124|36.858105| |1.694949|1.648882|1.478221|1.422043|1.506441|1.689325|1.786033|2.071250|3.931046|2.601005|2.675015|3.180785|3.937223|3.705107|2.956496|5.081613|7.705505|8.134638|12.380928|36.858105| |1.548168|1.502601|1.358913|1.308505|1.377456|1.528497|1.610744|1.839726|3.452819|2.234948|2.287349|2.652198|3.155015|3.016170|2.502850|3.891360|6.242418|5.406976|7.652293|15.760349|73.516695| |1.843929|1.790309|1.593496|1.527114|1.619794|1.829014|1.946537|2.280537|4.325644|2.881430|2.918232|3.430226|4.294115|4.169457|3.322413|5.127432|7.297058|8.225372|8.160660|14.101901|15.063088|53.358707| |2.073856|2.031437|1.784150|1.711111|1.837152|2.112689|2.255040|2.712591|5.281789|3.678644|3.762498|4.612090|6.241675|5.869285|4.336059|7.292886|9.135278|12.548894|7.875655|8.051403|9.644756|17.664532|36.858105| |2.302307|2.221478|1.924529|1.822688|1.946343|2.257085|2.459566|3.022217|5.768133|4.046165|3.900525|4.559188|6.305255|6.960006|5.089042|6.314719|8.056327|8.680545|6.016843|6.193229|8.144088|12.512722|17.534377|0.500000| |2.048092|2.047664|1.811766|1.759215|1.908523|2.193261|2.297753|2.723576|5.423019|3.715233|3.941566|4.734297|5.604268|5.003315|4.067686|5.847584|7.954027|7.350492|5.365753|5.520780|7.573043|10.564302|12.460498|0.249901|36.858105| |2.233796|2.239845|1.971845|1.909154|2.072325|2.393686|2.520711|2.990114|5.905519|3.944859|4.012557|4.414846|4.895162|4.771925|4.248109|4.505582|6.403070|5.063439|3.943388|4.116455|6.047445|7.544057|7.511176|0.206015|13.774593|36.858105| |2.114655|2.161550|1.935523|1.902494|2.076833|2.367598|2.432055|2.785328|5.525799|3.514393|3.661254|3.857987|3.919848|3.741927|3.541736|3.618588|5.460560|3.857488|3.190921|3.309739|5.093548|5.622034|4.978717|0.133666|7.863021|13.688903|36.858105| |1.871160|1.929920|1.754803|1.747658|1.914752|2.152527|2.165981|2.430632|4.868039|3.072451|3.348170|3.623743|3.570286|3.243087|3.025300|3.465198|5.422938|3.656867|3.125183|3.206316|5.011902|5.193019|4.401080|0.111132|6.802392|7.948810|13.797229|36.858105| |1.756517|1.802023|1.638510|1.630281|1.783614|2.003651|2.019145|2.280131|4.588285|2.961572|3.312351|3.804072|3.824587|3.312709|2.957293|3.983512|6.286957|4.297595|3.709239|3.751459|5.781953|5.924355|4.981041|0.116603|7.867375|6.904020|7.944267|13.685271|36.858105| |1.825326|1.849232|1.662653|1.636781|1.783432|2.022571|2.072163|2.391988|4.806304|3.209925|3.569598|4.334412|4.707897|3.963948|3.335565|5.255238|7.838097|6.165246|5.042731|5.042456|7.269164|8.268773|7.468202|0.155535|13.633790|8.008585|6.896334|7.947067|13.821836|36.858105| |1.748894|1.821531|1.682540|1.694727|1.856523|2.051831|2.030383|2.217020|4.403465|2.684030|2.917400|3.053638|2.926237|2.692485|2.586136|2.831682|4.585556|2.921163|2.582714|2.641816|4.254693|4.120591|3.352889|0.086741|4.585904|5.210421|7.933617|14.063435|8.112451|5.272681|73.516695| |1.769825|1.709893|1.532871|1.466387|1.542661|1.724354|1.835485|2.116152|3.942909|2.547969|2.538893|2.859526|3.394298|3.407651|2.890520|3.760085|5.615194|5.134164|5.152598|7.926118|12.418614|18.214083|7.407710|0.184334|6.245759|5.243076|4.115961|3.753710|4.070121|5.126758|5.404411|36.858105| |1.595837|1.562109|1.418164|1.371364|1.446490|1.601102|1.677147|1.897504|3.565106|2.267956|2.312388|2.593943|2.941041|2.846241|2.477798|3.270518|5.086158|4.215545|4.350591|6.160244|10.845438|10.538762|5.434596|0.129800|5.538117|4.710304|4.093612|4.027523|4.510117|5.350180|5.904594|12.332232|36.858105| |1.457217|1.419123|1.299348|1.255165|1.312450|1.436810|1.504331|1.678316|3.108616|1.940377|1.959790|2.155934|2.405664|2.365898|2.108089|2.638255|4.221710|3.253510|3.460876|4.694985|9.265644|7.065417|3.892279|0.098740|3.857746|3.508654|3.201349|3.165912|3.413559|3.781335|4.924361|7.533904|12.585217|53.358707| |1.496628|1.446232|1.322045|1.270026|1.321039|1.445347|1.523557|1.700386|3.116217|1.935470|1.926729|2.095778|2.348372|2.359610|2.120822|2.528790|4.020215|3.095086|3.236525|4.332792|8.388372|6.716512|3.756833|0.099138|3.652007|3.440476|3.110853|2.978461|3.108985|3.429797|4.651510|7.534715|9.293865|25.740666|0.500000| |1.364324|1.326520|1.217805|1.176941|1.228456|1.340782|1.402299|1.560786|2.887891|1.803148|1.828301|2.024547|2.266683|2.215581|1.960960|2.544789|4.158506|3.134241|3.538069|4.855044|10.887687|6.427426|3.507645|0.088511|3.305850|2.932383|2.664658|2.668217|2.939125|3.299077|4.207054|5.915525|7.628096|17.273970|0.259523|36.858105| |1.364743|1.339097|1.236697|1.202182|1.257013|1.365577|1.416942|1.560372|2.893458|1.782059|1.810984|1.968043|2.138254|2.088134|1.898365|2.305336|3.749711|2.730390|2.842136|3.561494|6.808953|5.273940|3.186489|0.081581|3.345732|3.158636|3.058041|3.123568|3.304437|3.423827|5.058278|5.011020|7.657247|17.448580|0.261012|7.730798|36.858105| |1.632548|1.604899|1.444078|1.399746|1.492505|1.673384|1.750885|2.023710|3.901276|2.599934|2.763607|3.404151|4.174546|3.665258|2.891331|6.136347|11.001048|7.871214|15.782975|8.007670|11.647405|7.506794|5.268383|0.122421|4.068592|3.179685|2.689651|2.683722|3.159818|4.031689|4.064928|4.020338|3.594313|4.124650|0.078652|3.219716|2.550722|73.516695| |17.532800|8.797534|5.888576|4.288831|3.955862|4.564884|6.639141|6.567960|7.964842|3.798595|3.005783|2.598215|2.616060|3.093888|3.889768|2.202542|3.623118|2.066266|1.830687|1.749833|2.835052|2.572881|2.130206|0.065902|2.067003|2.218837|2.069266|1.838959|1.748304|1.837730|3.031778|1.795591|1.607089|1.994690|0.041767|1.381481|1.363215|3.034106|0.500000| |17.528163|8.795319|5.887679|4.287274|3.953614|4.561620|6.634665|6.565148|7.965206|3.793061|2.992926|2.587303|2.611842|3.096319|3.896917|2.195351|3.552953|2.100863|1.849669|1.801273|2.916362|2.700961|2.237042|0.069898|2.213299|2.452954|2.308516|2.008863|1.868990|1.945838|3.316822|1.918272|1.717053|2.128310|0.044834|1.452647|1.460416|3.024434|0.302394|0.500000| |17.587694|8.858292|7.343651|4.787182|3.984232|4.178491|5.552056|4.766666|6.308613|3.019261|2.502887|2.190836|2.185848|2.506916|3.023444|1.882808|3.112964|1.795261|1.610519|1.563488|2.561190|2.302192|1.874249|0.057375|1.850668|2.009012|1.916569|1.710335|1.608105|1.663533|2.865720|1.637300|1.485314|1.864086|0.039152|1.286060|1.288222|2.674974|0.302387|0.302348|0.500000| |7.080113|8.942579|17.700811|8.933010|5.663861|4.972451|5.644701|4.103337|5.888444|2.727906|2.360620|2.039663|1.966103|2.166148|2.571402|1.703856|2.860885|1.608128|1.447892|1.398846|2.300094|2.046366|1.664721|0.049868|1.680898|1.822824|1.787441|1.624853|1.521175|1.544799|2.776735|1.455564|1.347652|1.693426|0.035271|1.168836|1.185651|2.421826|0.153477|0.153475|0.228274|0.500000| |4.099286|5.623885|8.912826|17.711103|8.910544|5.645574|4.935727|3.545323|5.638385|2.588553|2.347707|2.009294|1.875660|1.994983|2.329624|1.632503|2.778092|1.523895|1.373076|1.317660|2.168197|1.917236|1.563569|0.045984|1.608825|1.737866|1.742608|1.615395|1.510074|1.509032|2.808486|1.358903|1.278946|1.603228|0.033094|1.107101|1.133456|2.308402|0.099522|0.099488|0.114138|0.215732|0.500000| |3.543195|4.930570|5.653172|8.915989|17.712388|8.920189|5.634900|4.086766|7.199391|3.175946|2.976054|2.452550|2.194101|2.275912|2.678682|1.876505|3.209541|1.715315|1.524897|1.443904|2.354003|2.103321|1.745792|0.050826|1.827363|1.973030|2.000686|1.871654|1.746626|1.730701|3.262855|1.472279|1.393255|1.723259|0.035261|1.186876|1.219152|2.557587|0.090130|0.090075|0.090657|0.124307|0.214186|0.500000| |4.084368|5.641334|4.978261|5.659087|8.922726|17.774619|8.960423|7.010805|14.568281|5.347530|4.795869|3.563383|3.059531|3.200828|4.011461|2.474035|4.163373|2.200277|1.897304|1.768203|2.828619|2.604146|2.235078|0.065690|2.347509|2.551431|2.538164|2.326637|2.170092|2.181908|3.937789|1.788092|1.667583|2.020961|0.041248|1.384744|1.411806|3.139649|0.107578|0.107487|0.096071|0.107930|0.124197|0.215445|0.500000| |6.684624|6.810060|4.640685|3.990469|4.306134|5.887453|8.892747|17.522780|16.603215|7.112448|4.777561|3.808628|3.751989|4.625773|6.854569|2.916656|4.602373|2.700326|2.273352|2.164827|3.413182|3.301860|2.887026|0.091324|2.906591|3.282903|3.028848|2.571591|2.376846|2.497893|4.136946|2.278241|2.022985|2.430945|0.050622|1.644950|1.655644|3.648925|0.177056|0.218353|0.135883|0.109190|0.090799|0.099627|0.152303|0.500000| |6.670861|6.795644|4.634213|3.987173|4.304761|5.887692|8.881922|17.530102|16.610533|7.159573|4.835283|3.847410|3.768425|4.623402|6.827265|2.936046|4.761771|2.629915|2.239794|2.078308|3.286375|3.077331|2.669356|0.082966|2.598330|2.777954|2.541704|2.241798|2.143168|2.281811|3.620596|2.081238|1.850174|2.238003|0.046340|1.544209|1.518281|3.668161|0.217926|0.176732|0.135682|0.109051|0.090739|0.099631|0.152475|0.302210|0.500000| |2.796688|3.143465|2.731895|2.803080|3.393109|4.325524|4.074190|4.878498|13.486473|8.949692|17.728409|8.900674|5.612959|4.974162|5.661634|4.095566|6.901575|3.296465|2.683925|2.372852|3.670025|3.485762|3.186700|0.090215|3.419197|3.518874|3.381911|3.184050|3.116348|3.226718|5.104745|2.271860|2.114555|2.468114|0.049399|1.694284|1.699150|4.379704|0.078945|0.078492|0.067291|0.066054|0.068429|0.091343|0.152047|0.119918|0.121641|0.500000| |2.216178|2.342013|2.070083|2.076015|2.366328|2.807631|2.792783|3.332798|7.605009|5.646300|8.956640|17.737815|8.935778|5.687193|4.959099|7.112995|12.662147|4.874912|3.771747|3.094693|4.636212|4.425847|4.214128|0.110262|4.455491|4.024216|3.662444|3.637242|3.962371|4.429861|5.531166|2.718702|2.537858|2.878322|0.056458|2.000405|1.949022|6.111721|0.063532|0.063178|0.054676|0.051907|0.052144|0.064034|0.089347|0.088300|0.089344|0.214162|0.500000| |2.773368|2.646161|2.224560|2.077252|2.227393|2.653528|2.982663|3.908740|7.449101|5.663713|4.973483|5.672662|8.953473|17.715728|8.944301|6.915549|9.045616|6.510894|4.746722|4.128143|5.916688|6.336223|6.369300|0.228247|4.853430|4.522763|3.483326|3.018639|3.109057|3.779093|4.465981|3.743023|3.000462|3.409341|0.070070|2.363285|2.168118|7.024484|0.082714|0.082828|0.067433|0.057059|0.051644|0.057263|0.077090|0.114277|0.114100|0.107892|0.124719|0.500000| |4.258905|3.989333|3.098528|2.787551|2.995306|3.781712|4.687701|7.419815|12.447921|8.870671|5.630117|4.960685|5.631389|8.929682|17.754786|4.073047|6.114193|3.699877|2.987183|2.760795|4.225173|4.224811|3.870839|0.129340|3.579642|3.814271|3.217544|2.730405|2.638319|2.941306|4.211142|2.775110|2.358916|2.777776|0.057730|1.899257|1.836639|4.701531|0.129652|0.130429|0.096443|0.077350|0.066931|0.073862|0.106667|0.229746|0.225953|0.124126|0.107696|0.217473|0.500000| |2.479030|2.444656|2.120588|2.022003|2.176601|2.534566|2.736927|3.313429|6.363603|4.238037|4.029617|4.250549|4.848259|5.218516|4.796841|4.252807|6.015900|4.729515|3.704782|3.883589|5.754614|7.121305|6.976545|0.228925|8.938177|17.695598|8.944753|5.663401|4.966776|5.668810|7.483948|5.063484|4.244433|4.494667|0.092917|2.784776|2.937610|5.352821|0.068307|0.077025|0.061490|0.054486|0.050799|0.056809|0.073988|0.104477|0.085358|0.096574|0.103552|0.140686|0.123530|0.500000| |2.212350|2.270751|2.039734|2.004755|2.181895|2.475886|2.542383|2.867211|5.588670|3.420899|3.452947|3.460633|3.454329|3.422712|3.398544|3.115018|4.781644|3.255945|2.747936|2.851742|4.479271|4.743728|4.070043|0.114533|5.614405|8.881187|17.680678|8.914369|5.639754|4.961423|12.707337|3.562907|3.513029|3.925659|0.079416|2.412532|2.801954|4.197683|0.059273|0.067675|0.055784|0.052309|0.050991|0.058246|0.073105|0.087948|0.071526|0.090213|0.090294|0.088640|0.087847|0.216050|0.500000| |1.616290|1.665353|1.529466|1.532377|1.675911|1.862412|1.857388|2.066043|4.145876|2.633828|2.972274|3.391131|3.335779|2.878860|2.597086|3.542195|5.849677|3.737747|3.377050|3.377453|5.364699|5.055813|4.059861|0.096243|5.603546|4.969315|5.663047|8.943140|17.727998|8.890505|13.279639|3.499779|3.991988|4.307698|0.079169|2.795556|3.154854|5.301789|0.044708|0.047382|0.041351|0.039548|0.039677|0.045963|0.056071|0.059154|0.054200|0.079462|0.101191|0.075321|0.064787|0.107784|0.124341|0.500000| |1.714386|1.732869|1.564590|1.541836|1.675631|1.889846|1.932419|2.219912|4.444295|2.965344|3.327570|4.142258|4.559928|3.741280|3.093522|5.635356|8.784635|6.796953|5.992807|5.689592|8.139399|8.344250|6.956453|0.140752|8.914955|5.681638|4.964781|5.653890|8.965518|17.715785|7.574682|4.882626|5.164211|5.082154|0.092330|3.420539|3.341243|8.568242|0.048301|0.050344|0.043576|0.040510|0.039627|0.045300|0.056559|0.063600|0.059654|0.083936|0.121592|0.100618|0.075965|0.124504|0.107684|0.214653|0.500000| |1.823632|1.909017|1.767704|1.784270|1.955487|2.155815|2.126763|2.301588|4.544046|2.717785|2.904071|2.948257|2.806210|2.638631|2.595702|2.649477|4.281572|2.707577|2.385315|2.438841|3.939217|3.816438|3.117868|0.082944|4.142488|4.968835|7.752932|9.995893|6.057370|4.435736|35.761702|2.840382|3.028024|3.502812|0.068707|2.200851|2.639351|3.766567|0.048969|0.054251|0.046698|0.045516|0.046184|0.053691|0.064461|0.067556|0.058099|0.080023|0.082045|0.068191|0.066625|0.116625|0.228349|0.152542|0.101168|0.500000| |1.906482|1.834243|1.635680|1.557149|1.635492|1.834856|1.967323|2.278997|4.213370|2.710339|2.649207|2.920208|3.443274|3.571246|3.096672|3.607603|5.325723|4.685442|4.353585|5.803269|9.002327|12.620686|7.130555|0.200517|6.522232|6.180758|4.685375|4.004110|4.085853|4.955843|5.712968|17.613599|8.821832|8.396862|0.185414|4.691058|4.576828|6.153361|0.053378|0.058071|0.048844|0.043105|0.039953|0.043148|0.052649|0.069291|0.061721|0.065640|0.075780|0.108467|0.083525|0.176030|0.114380|0.095348|0.123172|0.084945|0.500000| |1.702231|1.629323|1.465130|1.395596|1.456854|1.618491|1.729946|1.982021|3.640913|2.326188|2.292657|2.552113|3.018311|3.087987|2.651513|3.339340|5.106090|4.427437|4.706495|7.286995|13.181676|12.659036|5.694681|0.151447|4.677077|4.111725|3.363752|3.096082|3.312114|4.005247|4.621742|17.544749|8.794584|10.269622|0.232085|6.610690|4.809375|6.838395|0.048164|0.051143|0.044031|0.038887|0.036038|0.038574|0.046284|0.059156|0.054698|0.057273|0.067399|0.096001|0.071994|0.114549|0.083702|0.081661|0.109423|0.068274|0.302259|0.500000| |1.534416|1.511740|1.375878|1.337529|1.417050|1.567869|1.630826|1.842357|3.497614|2.237198|2.324398|2.654939|2.998457|2.813979|2.420846|3.461960|5.479109|4.504616|4.882559|6.933035|12.464885|10.306038|5.390202|0.122149|5.466740|4.356489|3.841496|3.974099|4.770790|5.838646|5.848693|8.754716|17.689840|12.411500|0.183875|7.512268|6.573660|7.227625|0.043083|0.045500|0.039649|0.036249|0.034688|0.038077|0.045621|0.053930|0.050050|0.059231|0.073508|0.081639|0.063233|0.106417|0.090391|0.121211|0.170735|0.081798|0.177241|0.191105|0.500000| |1.626716|1.602910|1.457799|1.414736|1.496617|1.656019|1.726413|1.944981|3.669009|2.318776|2.370832|2.628067|2.914248|2.814910|2.496477|3.139150|4.877731|3.887001|3.796214|4.871564|8.215681|8.475009|5.096310|0.124300|5.893611|5.358202|4.894261|4.855876|5.249422|5.809496|7.021645|8.717180|17.649213|12.321425|0.208920|5.651980|7.624973|5.633909|0.045151|0.048778|0.042014|0.038394|0.036645|0.040114|0.048017|0.057857|0.052080|0.060631|0.071480|0.080674|0.065827|0.129272|0.115148|0.125817|0.144320|0.099122|0.227318|0.177278|0.301383|0.500000| |1.309699|1.282465|1.181343|1.147969|1.202561|1.310289|1.360740|1.508923|2.813132|1.756352|1.803380|2.008468|2.223760|2.134370|1.888408|2.524656|4.190729|3.072290|3.508037|4.625417|10.284465|5.899601|3.335733|0.082527|3.218901|2.816490|2.604076|2.681938|3.023221|3.357028|4.265688|5.003828|6.769574|12.356703|0.182030|17.649099|7.274465|5.795924|0.036828|0.038549|0.034287|0.031442|0.030043|0.032412|0.037750|0.043878|0.041403|0.046696|0.055842|0.062453|0.050384|0.072950|0.065063|0.081798|0.099166|0.061319|0.112442|0.143670|0.214974|0.147281|0.500000| |1.299495|1.259520|1.161221|1.120955|1.164082|1.263502|1.322152|1.461262|2.682291|1.658195|1.670168|1.827279|2.028831|2.004162|1.798540|2.242079|3.693889|2.693136|2.997634|3.909209|8.504253|5.213445|2.980955|0.077261|2.823772|2.578064|2.376477|2.366427|2.550516|2.797015|3.801722|4.710876|5.588353|12.305667|0.230025|17.635925|6.965810|4.949029|0.036505|0.038401|0.034207|0.031091|0.029382|0.031246|0.036081|0.042789|0.040224|0.043213|0.050052|0.059371|0.048817|0.069059|0.060870|0.067859|0.079672|0.055844|0.110867|0.150072|0.147714|0.126510|0.298697|0.500000| |1.418505|1.373216|1.254413|1.208117|1.261178|1.382561|1.453357|1.630210|3.014820|1.898472|1.918882|2.143294|2.444315|2.398128|2.090880|2.791211|4.533607|3.529147|4.140284|6.093946|15.393680|7.565238|3.900696|0.098046|3.475320|3.014338|2.662687|2.628613|2.915965|3.384461|4.087207|6.698032|7.274339|12.232966|0.215837|17.676687|5.622798|6.654929|0.040135|0.041941|0.037045|0.033417|0.031484|0.033747|0.039659|0.047685|0.045095|0.048982|0.058511|0.072171|0.056257|0.080345|0.066635|0.076193|0.098894|0.059545|0.139213|0.227396|0.204155|0.144727|0.301898|0.295271|0.500000| |1.414721|1.390113|1.284071|1.248314|1.305135|1.417579|1.470726|1.616292|2.992284|1.833391|1.854786|1.995275|2.151956|2.115789|1.945207|2.273449|3.670705|2.660631|2.685656|3.287998|6.037592|5.059408|3.172782|0.082516|3.444944|3.387492|3.362505|3.397218|3.455196|3.476358|5.545761|4.840698|6.987621|12.315879|0.226529|5.614044|17.645371|4.247442|0.039029|0.042246|0.037082|0.034177|0.032677|0.035140|0.040670|0.047927|0.043386|0.048440|0.054607|0.060611|0.052396|0.087570|0.086694|0.090316|0.091006|0.081070|0.131743|0.124831|0.158059|0.227152|0.145382|0.144323|0.125907|0.500000| |1.287468|1.259536|1.168248|1.134708|1.180709|1.275623|1.323965|1.448827|2.667965|1.630714|1.649235|1.779316|1.926290|1.894289|1.735632|2.068481|3.398228|2.416881|2.538360|3.129140|6.102188|4.505581|2.756602|0.071747|2.832343|2.701671|2.622704|2.661266|2.785232|2.874486|4.393256|4.150689|5.574395|12.315288|0.221706|7.229613|17.637933|4.129047|0.035734|0.038179|0.033932|0.031243|0.029818|0.031826|0.036481|0.042619|0.039304|0.043152|0.048933|0.054798|0.046978|0.071106|0.067975|0.074726|0.078729|0.064483|0.106623|0.116687|0.139016|0.149394|0.186258|0.214842|0.144558|0.298893|0.500000| 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