Version2.2 2021-02-05T04:29:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1C)CC(=O)N(CCC[NH+]2CCOCC2)c3nc4c(c(ccc4s3)C)C C10699500 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1C)CC(=O)N(CCC[NH+]2CCOCC2)c3nc4c(c(ccc4s3)C)C C01[X(C26H34N3O2S1)] 192 C1 552 O=C(N(c1sc2c(n1)c(C)c(cc2)C)CCC[NH+]1CCOCC1)Cc1ccc(c(c1)C)C O=C(N(c1sc2c(n1)c(C)c(cc2)C)CCC[NH+]1CCOCC1)Cc1ccc(c(c1)C)C Cc1ccc(CC(=O)N(CCC[NH+]2CCOCC2)c3sc4ccc(C)c(C)c4n3)cc1C InChIKey=NTELLZDHCCIKAJ-UHFFFAOYSA-O InChI=1S/C26H33N3O2S/c1-18-6-8-22(16-20(18)3)17-24(30)29(11-5-10-28-12-14-31-15-13-28)26-27-25-21(4)19(2)7-9-23(25)32-26/h6-9,16H,5,10-15,17H2,1-4H3/p+1 InChI=1/C26H33N3O2S/c1-18-6-8-22(16-20(18)3)17-24(30)29(11-5-10-28-12-14-31-15-13-28)26-27-25-21(4)19(2)7-9-23(25)32-26/h6-9,16H,5,10-15,17H2,1-4H3/p+1/fC26H34N3O2S/h28H/q+1 Cc1ccc(cc1C)CC(=O)N(CCC[NH+]2CCOCC2)c3nc4c(c(ccc4s3)C)C C01[X(C26H34N3O2S1)] 192 C01 552 O=C(N(c1sc2c(n1)c(C)c(cc2)C)CCC[NH+]1CCOCC1)Cc1ccc(c(c1)C)C O=C(N(C1=N[C]2[C]([CH][CH][C]([C]2C)C)S1)CCC[NH]1CCOCC1)C[C]1[CH][CH][C]([C]([CH]1)C)C C[C]1[CH][CH][C]([CH][C]1C)CC(=O)N(CCC[NH]2CCOCC2)C3=N[C]4[C](C)[C](C)[CH][CH][C]4S3 InChIKey=ATGTXPQADZMBFW-UHFFFAOYSA-N InChI=1S/C26H34N3O2S/c1-18-6-8-22(16-20(18)3)17-24(30)29(11-5-10-28-12-14-31-15-13-28)26-27-25-21(4)19(2)7-9-23(25)32-26/h6-9,16,28H,5,10-15,17H2,1-4H3 InChI=1/C26H34N3O2S/c1-18-6-8-22(16-20(18)3)17-24(30)29(11-5-10-28-12-14-31-15-13-28)26-27-25-21(4)19(2)7-9-23(25)32-26/h6-9,16,28H,5,10-15,17H2,1-4H3 3298.0542294618 -1714.7820318 1-A 21822.3785 121 431 552 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.06214 -20.71639 -20.62677 -15.85801 -15.69881 -15.66722 -11.44676 -11.44634 -11.44288 -11.44272 -11.43700 -11.43559 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0.638266 0.639210 0.540120 -1714.173804 -1714.143766 -1714.142821 -1714.241912 3.323528D-04 MUNgauss RevisionA2.1 retrievium 05-Feb-2021 DUDE Cc1ccc(cc1C)CC(=O)N(CCC[NH+]2CCOCC2)c3nc4c(c(ccc4s3)C)C C10699500 RHF 6-31G(d) (6D,10F) C1 452.237174 |X|Y|Z| 96.381134 103.723933 42.121574 74.953491 27 6 7 8 16 22 3 1 1 |36.858105| |12.606376|36.858105| |7.583017|13.750176|36.858105| |5.014695|7.875893|13.740507|36.858105| |4.413769|6.791309|7.939637|13.783697|36.858105| |5.015445|7.928982|6.951135|7.999854|13.711354|36.858105| |7.509118|13.589383|7.944999|6.843233|7.847747|13.753532|36.858105| |6.440238|7.515387|5.021142|4.435397|5.008296|7.591577|12.603783|36.858105| |3.269167|4.413605|5.026989|7.575356|12.606020|7.548547|4.999964|3.787858|36.858105| |2.893001|3.723641|4.128508|5.600460|7.526636|5.715648|4.163139|3.350131|12.528978|36.858105| |3.012353|3.845003|4.107547|5.199408|6.705556|5.761957|4.357173|3.565490|7.932108|15.924867|73.516695| |2.410428|2.963167|3.288897|4.239958|5.054143|4.078939|3.206577|2.700865|7.676851|13.726911|15.187846|53.358707| |2.161484|2.574412|2.797779|3.400834|3.861419|3.338454|2.759313|2.405050|4.994737|7.847070|12.784463|17.833334|36.858105| |2.032777|2.387196|2.497824|2.934092|3.413616|3.154313|2.627764|2.374328|4.238555|6.092336|11.018708|10.466288|12.413734|36.858105| |1.829786|2.094792|2.175923|2.475093|2.769309|2.611980|2.266060|2.090523|3.225548|4.276934|8.142224|6.806857|7.582521|12.505891|36.858105| |1.704303|1.923718|1.956391|2.179297|2.446576|2.387166|2.102297|1.993642|2.776539|3.469342|6.631217|5.191586|4.923739|7.558091|12.633042|53.358707| |1.662787|1.880050|1.909557|2.135645|2.417600|2.362186|2.066248|1.964878|2.784110|3.410400|6.300377|5.177939|4.711020|7.338472|9.323880|25.679880|0.500000| |1.808593|2.034991|2.028008|2.227191|2.525398|2.543423|2.258061|2.181822|2.780077|3.431540|6.875183|4.776435|4.230945|6.073855|7.566950|17.212249|0.258407|36.858105| |1.635936|1.809488|1.783704|1.926832|2.163165|2.212784|2.003770|1.981115|2.340856|2.749672|5.357181|3.802058|3.204818|4.233942|4.953694|10.463674|0.197747|12.519034|36.858105| |1.491106|1.632417|1.620840|1.740870|1.917523|1.938846|1.777293|1.751454|2.064632|2.404668|4.632553|3.379078|2.880531|3.633392|4.498785|9.155116|0.167218|7.949171|13.681744|73.516695| |1.427694|1.568419|1.576375|1.707952|1.872507|1.861001|1.694451|1.648841|2.049218|2.395893|4.517681|3.474427|3.022000|3.820013|4.969406|10.455717|0.197586|6.713702|8.210578|24.339711|36.858105| |1.525035|1.693032|1.723293|1.891178|2.072976|2.023057|1.821101|1.740355|2.303672|2.779649|5.257375|4.141363|3.815563|4.964002|7.639269|17.244079|0.258727|7.724068|6.724558|14.146083|12.516333|36.858105| |2.203634|2.667949|2.955515|3.753730|4.374838|3.586133|2.867708|2.453244|6.632830|7.770181|9.656997|18.451211|7.787940|5.848154|4.132747|4.555333|0.096524|3.023981|2.515163|4.020718|2.360419|2.752402|36.858105| |2.106880|2.528866|2.721946|3.363041|4.018998|3.475866|2.778219|2.434000|5.875949|6.149078|8.226969|11.016055|5.789151|5.298640|3.802737|4.455280|0.097830|2.987804|2.545964|4.023995|2.357973|2.681323|15.071006|53.358707| |1.910800|2.248014|2.424551|2.924301|3.331814|2.919696|2.420072|2.148051|4.476801|4.369419|6.219595|7.305312|4.302538|3.966709|3.119613|3.761806|0.082859|2.512100|2.211670|3.569902|2.110915|2.359882|8.670213|18.609373|36.858105| |1.771779|2.051865|2.167967|2.539290|2.879890|2.628388|2.221668|2.020426|3.642630|3.476405|5.194175|5.399904|3.379738|3.311095|2.711344|3.415652|0.076245|2.312057|2.095774|3.387689|1.997809|2.175801|5.403195|10.498332|13.624249|36.858105| |1.618617|1.845300|1.955053|2.250697|2.472702|2.264442|1.963227|1.797212|2.998724|2.849578|4.356169|4.367359|2.823319|2.732557|2.331734|2.958422|0.065394|2.002412|1.842113|3.028600|1.793155|1.936859|4.164827|7.005872|7.978440|13.685818|36.858105| |1.583149|1.798442|1.934604|2.230009|2.388025|2.147661|1.878974|1.704011|2.874004|2.746199|4.194155|4.271374|2.779948|2.597433|2.249048|2.804740|0.061102|1.884466|1.723515|2.866969|1.705452|1.860034|4.083133|6.278249|6.947167|7.878319|13.609370|36.858105| |1.676650|1.921402|2.104014|2.467599|2.616491|2.290875|1.989552|1.775072|3.215302|3.108994|4.659924|5.006274|3.208185|2.865353|2.456143|2.977822|0.064147|1.982954|1.782607|2.969241|1.770510|1.965917|4.994155|7.126729|7.867786|6.716523|7.823009|13.821295|36.858105| |1.849418|2.159321|2.378554|2.867606|3.119130|2.672658|2.261500|1.990023|4.063794|3.991459|5.740284|6.803816|4.117059|3.561174|2.914945|3.447331|0.074342|2.282948|2.009749|3.305545|1.966988|2.217868|7.827307|11.064866|13.661549|7.831627|6.885786|8.072358|13.768344|36.858105| |2.014965|2.383346|2.699669|3.352185|3.571067|2.926136|2.458293|2.112398|4.774619|5.025582|6.992792|9.476149|5.472120|4.139873|3.338331|3.739741|0.078286|2.463065|2.107493|3.474361|2.062742|2.389014|10.875920|10.056456|7.406818|4.859038|4.238739|4.704206|6.721784|10.902389|388.023441| |1.490811|1.675446|1.748997|1.970366|2.152990|2.022600|1.784860|1.664985|2.518211|2.389692|3.752743|3.549229|2.352809|2.335873|2.043203|2.659398|0.058893|1.822665|1.712518|2.827223|1.666715|1.764953|3.183406|5.195163|5.027910|7.548798|12.597118|7.576585|5.010582|4.452871|22.556394|36.858105| |1.779418|2.054299|2.117571|2.442819|2.834850|2.694235|2.274866|2.114529|3.501570|3.346792|5.142798|4.948083|3.160992|3.285837|2.693185|3.516557|0.079738|2.433422|2.241735|3.564036|2.076781|2.215876|4.520900|8.748814|7.530584|12.614922|7.521841|4.994218|4.383002|4.990347|26.696685|6.455374|36.858105| |17.542415|8.817850|5.893535|4.292651|3.948024|4.577517|6.658672|6.501288|3.019390|2.640941|4.816267|3.037272|1.999132|1.900691|1.711644|2.191151|0.043928|1.707451|1.561101|2.529362|1.362438|1.444255|2.077073|2.744746|1.847868|1.735686|1.592838|1.550403|1.625940|1.779467|13.535844|1.480155|1.755871|0.500000| |17.541534|8.818164|5.885217|4.287194|3.945610|4.576591|6.662426|6.508374|3.016115|2.770826|5.267611|3.153326|2.117918|2.016045|1.835715|2.343496|0.046391|1.848183|1.676584|2.716853|1.451777|1.545065|2.095207|2.728155|1.809222|1.681061|1.533900|1.496723|1.582089|1.745551|13.540009|1.417538|1.698709|0.302681|0.500000| |17.589747|8.857191|7.320604|4.777329|3.968648|4.183773|5.553390|4.728580|3.031206|2.705850|4.960200|3.126956|2.071192|1.924729|1.745918|2.201409|0.043757|1.699203|1.537633|2.513918|1.361920|1.458989|2.112235|2.724108|1.833393|1.695171|1.562645|1.543821|1.642772|1.799539|14.032877|1.437719|1.683105|0.302111|0.302071|0.500000| |7.059435|8.943421|17.708399|8.948934|5.657182|4.991777|5.646417|4.086752|4.103538|3.516514|6.209622|3.991943|2.549837|2.265141|2.009033|2.459937|0.048898|1.859512|1.646566|2.689403|1.477175|1.613314|2.673289|3.335893|2.226208|1.998563|1.830053|1.832685|1.997728|2.224580|17.994464|1.643884|1.933737|0.153331|0.152964|0.226786|0.500000| |4.101019|5.627303|8.930118|17.694697|8.907924|5.661127|4.934963|3.546496|6.997819|5.443122|8.594171|5.998506|3.509514|2.919930|2.473969|2.922272|0.058436|2.151063|1.857801|3.014462|1.682129|1.877403|3.972314|4.681091|3.040359|2.592220|2.321654|2.348041|2.653265|3.085727|26.622103|2.008192|2.426691|0.099682|0.099501|0.114066|0.216864|0.500000| |4.088422|5.644739|4.990368|5.676810|8.936017|17.691325|8.963725|7.094208|7.024547|5.681365|10.253158|5.612375|3.405471|3.362147|2.745661|3.476958|0.070936|2.760425|2.408212|3.687277|1.978087|2.134295|3.657620|5.014847|3.043342|2.779640|2.355380|2.190397|2.305801|2.701948|20.510476|2.115553|2.940562|0.107777|0.107762|0.096110|0.108146|0.124353|0.500000| |6.502534|6.666010|4.579912|3.961690|4.283560|5.894245|8.819266|17.542137|3.339269|3.093886|6.022434|3.439707|2.306381|2.286571|2.051887|2.675486|0.053303|2.173137|1.979827|3.126319|1.642955|1.729516|2.270077|3.035510|1.972282|1.851958|1.657532|1.580882|1.650768|1.843087|14.029303|1.539079|1.929661|0.173207|0.211645|0.133115|0.107635|0.090209|0.153734|0.500000| |6.514667|6.671295|4.584081|3.964690|4.284339|5.893424|8.817347|17.544696|3.341661|2.914545|5.370299|3.288965|2.154358|2.121314|1.882115|2.454331|0.049640|1.953071|1.796442|2.848993|1.516264|1.590994|2.245896|3.056741|2.021612|1.924806|1.731842|1.643822|1.700021|1.882251|14.018198|1.619504|2.013685|0.211828|0.173813|0.133263|0.107777|0.090312|0.153683|0.302787|0.500000| |4.727618|5.553702|4.186814|3.986292|4.776676|7.328700|8.850822|17.582394|3.839492|3.441576|6.520682|3.784505|2.480800|2.508330|2.192132|2.882001|0.058360|2.344145|2.138613|3.316257|1.745672|1.830874|2.533301|3.484907|2.240482|2.125213|1.871563|1.752298|1.811813|2.039913|15.204656|1.740132|2.268031|0.133099|0.133141|0.103933|0.096087|0.090653|0.228272|0.301979|0.302083|0.500000| |3.027770|3.965097|4.232394|5.695374|8.858999|7.074085|4.703571|3.771805|17.549410|9.032905|11.457194|9.056232|4.552128|4.169942|3.145005|3.793595|0.079295|2.803246|2.394275|3.714246|2.070951|2.296758|6.473625|9.064900|4.962411|4.152727|3.298823|3.045518|3.306654|4.181577|31.838246|2.776079|4.159198|0.079867|0.078029|0.077091|0.097570|0.144312|0.211439|0.090657|0.093513|0.110554|0.500000| |3.032637|3.967964|4.744043|7.183981|8.886973|5.656597|4.200031|3.254909|17.579702|8.906703|10.629330|9.932391|4.729364|3.847222|2.998770|3.490677|0.071708|2.507248|2.135721|3.405594|1.926096|2.169527|7.257460|8.266747|4.916888|3.861680|3.232317|3.186950|3.679235|4.722172|41.075736|2.653887|3.512795|0.078325|0.076821|0.080266|0.112729|0.215359|0.143541|0.080676|0.082377|0.090047|0.305193|0.500000| |1.967126|2.305674|2.521079|3.023896|3.318300|2.873259|2.429074|2.135794|4.203289|5.773806|9.210942|12.559826|17.595702|8.786138|6.823173|6.181592|0.122917|3.726845|2.934415|4.834835|2.936341|3.733164|7.497933|7.528578|4.415797|3.429512|2.925201|2.951675|3.485405|4.463282|43.937944|2.411784|3.098162|0.050848|0.053366|0.052906|0.065003|0.088622|0.080739|0.056985|0.053925|0.060845|0.108104|0.117027|0.500000| |2.260551|2.686292|2.938179|3.534489|3.895212|3.367175|2.835701|2.456148|4.714510|7.377659|13.928643|12.587967|17.639390|8.831075|7.018898|6.281258|0.116641|4.150993|3.123667|5.051146|2.929273|3.703388|5.800178|6.117301|3.533956|2.869660|2.461168|2.447907|2.806915|3.469853|32.720071|2.090271|2.710986|0.057335|0.062019|0.060450|0.074815|0.101472|0.093222|0.066373|0.060699|0.069470|0.114685|0.122823|0.302074|0.500000| |2.210411|2.622338|2.695041|3.156992|3.795360|3.612291|2.960109|2.685141|4.632402|6.824143|13.644634|9.779342|8.968151|17.641454|8.827744|9.322003|0.181975|6.710588|4.527071|6.556163|3.667131|4.502957|5.289614|6.773647|3.693214|3.155581|2.593859|2.434390|2.645634|3.253931|26.343270|2.248881|3.236656|0.057274|0.061254|0.057398|0.066812|0.084856|0.109736|0.071782|0.065568|0.079902|0.128042|0.110698|0.174605|0.212885|0.500000| |1.917001|2.240498|2.335700|2.738296|3.198236|2.972986|2.475162|2.257195|4.042119|5.347109|8.965102|9.428543|8.839887|17.532102|8.836645|9.354165|0.217592|5.369853|4.067766|6.213763|3.763523|4.693133|6.237811|8.479493|4.603991|3.860869|3.102614|2.885704|3.141918|3.945948|30.628694|2.628662|3.873061|0.050353|0.052477|0.050413|0.058961|0.075858|0.089182|0.059778|0.056668|0.066733|0.115698|0.103939|0.213276|0.173645|0.301233|0.500000| |1.699338|1.931164|2.024281|2.298930|2.525180|2.354113|2.060598|1.898173|2.947196|3.778508|6.886829|6.252887|6.857670|8.810731|17.607865|12.422840|0.217781|5.596613|4.181639|7.195859|4.764617|7.474350|4.020289|4.999042|3.120193|2.707091|2.364574|2.313196|2.544251|2.989507|24.376338|2.064468|2.629809|0.044299|0.047128|0.045412|0.052484|0.064811|0.067984|0.051663|0.047985|0.054888|0.079716|0.078322|0.201887|0.172357|0.173078|0.211845|0.500000| |1.890230|2.155146|2.239692|2.523418|2.781206|2.628347|2.310636|2.127817|3.142840|4.186252|8.406115|6.321740|6.875108|8.768494|17.616670|12.411453|0.182388|7.187667|4.696005|7.771027|4.592901|6.819556|3.715638|4.554551|2.778919|2.421817|2.111132|2.057073|2.254325|2.646605|21.983959|1.861841|2.396777|0.048708|0.053085|0.050229|0.057669|0.069967|0.075665|0.058725|0.052937|0.061417|0.083154|0.080830|0.167521|0.209197|0.210160|0.172632|0.301579|0.500000| |1.849181|2.069605|2.064479|2.248143|2.512044|2.525497|2.272711|2.190677|2.708266|3.361450|6.944859|4.598556|4.115697|5.443486|7.051940|12.411221|0.181866|17.628870|8.834614|12.640421|5.879196|7.014274|2.852981|3.741627|2.326558|2.124938|1.859990|1.772324|1.879500|2.154540|16.854360|1.691455|2.202334|0.048120|0.052900|0.048412|0.052824|0.060350|0.074870|0.061425|0.054254|0.064616|0.074235|0.067955|0.100471|0.118635|0.166405|0.127185|0.147189|0.222106|0.500000| |1.968426|2.245608|2.223130|2.462888|2.864485|2.920003|2.542071|2.452769|3.180791|3.974314|8.084534|5.367183|4.587206|6.835028|6.960927|12.277059|0.224551|17.664205|8.798972|10.159045|5.014596|5.616635|3.343521|4.554038|2.739320|2.512170|2.138571|1.991451|2.093219|2.440613|18.670726|1.937051|2.683082|0.051622|0.055745|0.050896|0.055890|0.065277|0.089985|0.067268|0.060343|0.074245|0.090286|0.077849|0.107712|0.122620|0.242638|0.167234|0.141516|0.178990|0.300180|0.500000| |1.671653|1.835700|1.787295|1.907807|2.139449|2.227251|2.042480|2.051882|2.267550|2.624302|5.180881|3.530481|2.901355|3.681332|4.107929|7.606802|0.144224|8.926507|17.645087|16.893639|5.891614|5.016706|2.327783|3.205177|2.052880|1.954685|1.725449|1.614746|1.665733|1.869316|13.937713|1.613999|2.099981|0.044369|0.047971|0.043446|0.045779|0.050648|0.067525|0.057492|0.051562|0.061815|0.064392|0.057111|0.073240|0.079884|0.112755|0.097184|0.097115|0.112824|0.215295|0.210094|0.500000| |1.593845|1.766115|1.739701|1.886145|2.131722|2.184056|1.965821|1.949082|2.331149|2.695793|5.125155|3.758174|3.100412|4.119337|4.549138|9.321283|0.206518|8.817051|17.492806|16.534401|7.311813|5.849562|2.547711|3.595951|2.308790|2.221824|1.944393|1.797042|1.838500|2.068215|15.098394|1.820320|2.420725|0.042536|0.045093|0.041554|0.044531|0.050521|0.066663|0.053550|0.049395|0.058870|0.067367|0.059241|0.079558|0.081726|0.121196|0.116107|0.109710|0.114119|0.173050|0.213648|0.301387|0.500000| |1.336723|1.456802|1.466374|1.578244|1.710429|1.696620|1.559966|1.520429|1.855469|2.143992|4.026827|3.104134|2.675512|3.231641|4.124322|7.603015|0.144138|5.011021|5.890204|16.894098|17.643811|8.917557|2.125060|2.873068|1.918408|1.822231|1.657524|1.589455|1.648954|1.811040|13.504370|1.549291|1.878293|0.035464|0.037796|0.035588|0.038429|0.043348|0.049675|0.042238|0.039046|0.044428|0.051815|0.048850|0.073319|0.072917|0.085809|0.088189|0.114256|0.109678|0.131738|0.109958|0.132134|0.148165|0.500000| |1.392973|1.532455|1.539174|1.672389|1.842827|1.833116|1.661956|1.620338|2.033125|2.348875|4.351978|3.429636|2.927848|3.721849|4.561955|9.315582|0.206332|5.840550|7.310512|16.536365|17.491805|8.820874|2.381409|3.302289|2.190622|2.101794|1.884892|1.775822|1.824753|2.019925|14.760751|1.763502|2.209442|0.037117|0.039166|0.036865|0.040003|0.045754|0.054460|0.044530|0.041573|0.047877|0.057779|0.053240|0.079613|0.076999|0.098742|0.106669|0.123699|0.112112|0.134671|0.131161|0.148177|0.219120|0.301363|0.500000| |1.460368|1.621224|1.664353|1.834832|1.997937|1.926392|1.731496|1.643993|2.242670|2.685590|4.953293|4.111586|3.804315|4.760411|7.075580|12.325778|0.225576|5.620181|5.020627|10.155559|8.782897|17.622539|2.799655|3.705000|2.434756|2.241415|2.010907|1.945322|2.061820|2.313486|17.651778|1.825921|2.249708|0.038485|0.040851|0.039001|0.043484|0.051095|0.056117|0.045148|0.042000|0.047822|0.062085|0.059544|0.108241|0.100492|0.114352|0.130078|0.230032|0.167024|0.143182|0.126332|0.110043|0.131392|0.209331|0.213709|0.500000| |1.544060|1.706896|1.740098|1.898140|2.058296|2.005947|1.821661|1.737767|2.254930|2.732096|5.264078|4.013895|3.723610|4.587384|7.111030|12.411759|0.181893|7.003349|5.877131|12.631849|8.830488|17.625357|2.617423|3.403061|2.201819|2.015680|1.806138|1.751705|1.864903|2.098696|16.376310|1.644155|2.034003|0.040404|0.043667|0.041164|0.045447|0.052410|0.058186|0.048369|0.044031|0.050401|0.061548|0.059007|0.100657|0.104984|0.117821|0.114694|0.190451|0.207971|0.209835|0.143017|0.131677|0.134666|0.215232|0.173060|0.299824|0.500000| |1.475382|1.657081|1.776995|2.018176|2.131276|1.934916|1.718434|1.570083|2.497436|2.387386|3.711075|3.648459|2.422327|2.277358|2.014695|2.536802|0.055013|1.711991|1.581679|2.652124|1.577281|1.706536|3.339210|4.981847|4.990766|5.631431|8.917178|17.721210|8.999061|5.711565|27.422381|7.094530|4.081775|0.040278|0.038783|0.040141|0.047166|0.059012|0.054577|0.040629|0.042341|0.044686|0.072836|0.076387|0.071440|0.060266|0.059561|0.069440|0.057749|0.051609|0.044936|0.049887|0.041313|0.045747|0.041142|0.045604|0.049638|0.044810|0.500000| |1.618460|1.839811|2.029517|2.359808|2.442728|2.133149|1.878159|1.674333|2.927921|2.848901|4.333655|4.543548|2.977916|2.622881|2.299682|2.778440|0.059185|1.850912|1.667181|2.803439|1.673441|1.860557|4.299192|5.769237|5.600327|4.871781|5.590369|8.905176|17.736745|8.855806|43.901346|4.093710|3.514541|0.043503|0.042418|0.044420|0.054209|0.071399|0.058933|0.043514|0.044669|0.047084|0.081589|0.093509|0.090968|0.073967|0.067187|0.078202|0.066715|0.059378|0.049213|0.053787|0.043385|0.047413|0.043637|0.047609|0.054367|0.049460|0.216153|0.500000| |1.537733|1.727190|1.790486|2.007302|2.203385|2.091432|1.849159|1.733499|2.548644|2.367349|3.726211|3.431502|2.249033|2.240280|1.952147|2.554233|0.056342|1.777746|1.675803|2.750126|1.604204|1.688457|3.028158|4.953139|4.584424|6.689881|8.819277|5.889732|4.286672|3.976166|20.960088|17.548801|6.516190|0.042692|0.040488|0.041046|0.046592|0.056331|0.061017|0.044228|0.047128|0.050476|0.079125|0.074129|0.063019|0.055943|0.060896|0.069363|0.054151|0.049748|0.045897|0.052840|0.044219|0.049485|0.041379|0.047027|0.048055|0.043846|0.153968|0.099498|0.500000| |1.406207|1.567720|1.641757|1.835423|1.973914|1.850879|1.652399|1.542839|2.274174|2.162553|3.421968|3.205565|2.147953|2.111821|1.876595|2.439510|0.053597|1.670920|1.575602|2.625794|1.550709|1.639948|2.833635|4.443224|4.196544|5.573461|8.853187|7.343177|4.795793|4.008931|20.846838|17.597754|4.736814|0.038810|0.037134|0.037893|0.043236|0.052293|0.053240|0.039800|0.041868|0.044478|0.068387|0.067054|0.061666|0.053594|0.056308|0.065137|0.053031|0.047867|0.043388|0.048920|0.041339|0.046259|0.040349|0.045413|0.047291|0.042670|0.229143|0.114262|0.302290|0.500000| |1.429766|1.600963|1.658758|1.858952|2.041239|1.938641|1.714496|1.613988|2.378484|2.304182|3.662430|3.432030|2.323008|2.359652|2.083297|2.752271|0.061611|1.878197|1.782031|2.945230|1.744797|1.832687|3.026528|4.957430|4.582993|6.695136|8.814009|5.877475|4.278561|3.970502|20.918536|17.546032|6.528686|0.039402|0.038009|0.038204|0.043253|0.052307|0.056794|0.041641|0.043474|0.047125|0.072876|0.068439|0.066161|0.057182|0.062938|0.074635|0.058603|0.052337|0.048040|0.055242|0.046446|0.053115|0.044997|0.051795|0.052823|0.047029|0.153555|0.099283|0.302589|0.302238|0.500000| |1.795965|2.063675|2.110644|2.408360|2.783282|2.684311|2.288961|2.144829|3.336964|3.070133|4.764765|4.367462|2.776157|2.853814|2.379315|3.127790|0.069937|2.208662|2.056955|3.277353|1.888207|1.993048|3.861186|6.982021|5.869488|8.852024|6.691245|4.572822|3.933852|4.283330|23.563823|6.543970|17.552102|0.049714|0.047394|0.047091|0.053551|0.065959|0.081393|0.053945|0.057415|0.063984|0.111007|0.093077|0.075011|0.067711|0.079580|0.090355|0.064208|0.059865|0.056070|0.067616|0.054253|0.061427|0.047760|0.055509|0.055809|0.051299|0.107911|0.089758|0.212971|0.133722|0.174547|0.500000| |1.630171|1.857756|1.903630|2.163850|2.475985|2.381793|2.047053|1.929697|2.979651|2.935717|4.633062|4.368222|2.918779|3.112901|2.628754|3.513421|0.080839|2.409962|2.262673|3.622233|2.129438|2.242690|3.857435|6.990374|5.863375|8.845164|6.682695|4.566803|3.928126|4.276445|23.508366|6.534571|17.542809|0.044718|0.043546|0.042935|0.048650|0.059746|0.072083|0.049434|0.051146|0.057527|0.095447|0.082496|0.080483|0.069942|0.084278|0.103001|0.072024|0.064536|0.060104|0.072852|0.058509|0.068786|0.053570|0.063844|0.063688|0.056606|0.107772|0.089621|0.173900|0.133638|0.213115|0.302845|0.500000| 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