Version2.0 2020-02-18T21:00:03Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 25-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](CCc1ccccc1)NC(=O)[C@H](C(C)C)N2C(=O)[C@@]3([C@H]4C(=c5ccccc5=[NH+]4)CCN3C2=O)C C63372402 RHF 6-31G(d) (6D,7F) C[C@H](CCc1ccccc1)NC(=O)[C@H](C(C)C)N2C(=O)[C@@]3([C@H]4C(=c5ccccc5=[NH+]4)CCN3C2=O)C C01[X(C29H35N4O3)] 207 C1 610 C[C@@H](NC(=O)[C@@H](N1C(=O)N2[C@@](C1=O)(C)[C@@H]1[NH+]=c3c(=C1CC2)cccc3)C(C)C)CCc1ccccc1 C[C@@H](NC(=O)[C@@H](N1C(=O)N2[C@@](C1=O)(C)[C@@H]1[NH+]=c3c(=C1CC2)cccc3)C(C)C)CCc1ccccc1 CC(C)[C@H](N1C(=O)N2CCC3=C4C=CC=CC4=[NH+][C@H]3[C@@]2(C)C1=O)C(=O)N[C@H](C)CCc5ccccc5 InChIKey=YSTSQVSTXFQSDG-SVGVZATMSA-O InChI=1S/C29H34N4O3/c1-18(2)24(26(34)30-19(3)14-15-20-10-6-5-7-11-20)33-27(35)29(4)25-22(16-17-32(29)28(33)36)21-12-8-9-13-23(21)31-25/h5-13,18-19,24-25H,14-17H2,1-4H3,(H,30,34)/p+1/t19-,24+,25-,29+/m1/s1 InChI=1/C29H34N4O3/c1-18(2)24(26(34)30-19(3)14-15-20-10-6-5-7-11-20)33-27(35)29(4)25-22(16-17-32(29)28(33)36)21-12-8-9-13-23(21)31-25/h5-13,18-19,24-25H,14-17H2,1-4H3,(H,30,34)/p+1/t19-,24+,25-,29+/m1/s1/fC29H35N4O3/h30-31H/q+1 C[C@H](CCc1ccccc1)NC(=O)[C@H](C(C)C)N2C(=O)[C@@]3([C@H]4C(=c5ccccc5=[NH+]4)CCN3C2=O)C C01[X(C29H35N4O3)] 207 C01 610 C[C@@H](NC(=O)[C@@H](N1C(=O)N2[C@@](C1=O)(C)[C@@H]1[NH+]=c3c(=C1CC2)cccc3)C(C)C)CCc1ccccc1 C[C@@H](NC(=O)[C@@H](N1C(=O)N2[C@@](C1=O)(C)[C@@H]1N[C@H]3C(=C1CC2)C=CC=C3)C(C)C)CCc1ccccc1 CC(C)[C@H](N1C(=O)N2CCC3=C4C=CC=C[C@H]4N[C@H]3[C@@]2(C)C1=O)C(=O)N[C@H](C)CCc5ccccc5 InChIKey=IUKQAYINFIQWPS-QLIKVZNYSA-N InChI=1S/C29H36N4O3/c1-18(2)24(26(34)30-19(3)14-15-20-10-6-5-7-11-20)33-27(35)29(4)25-22(16-17-32(29)28(33)36)21-12-8-9-13-23(21)31-25/h5-13,18-19,23-25,31H,14-17H2,1-4H3,(H,30,34)/t19-,23-,24+,25-,29+/m1/s1 InChI=1/C29H36N4O3/c1-18(2)24(26(34)30-19(3)14-15-20-10-6-5-7-11-20)33-27(35)29(4)25-22(16-17-32(29)28(33)36)21-12-8-9-13-23(21)31-25/h5-13,18-19,23-25,31H,14-17H2,1-4H3,(H,30,34)/t19-,23-,24+,25-,29+/m1/s1/f/h30H 4021.0791848341 -1560.8247974 1-A 19534.7703 130 480 610 |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|A|A|A|A|A|A|A|A|A| -20.67218 -20.64344 -20.61065 -15.77462 -15.72451 -15.71131 -15.66756 -11.49773 -11.48669 -11.48606 -11.45370 -11.45031 -11.43601 -11.43383 -11.42214 -11.40710 -11.40473 -11.39832 -11.38949 -11.38657 -11.38469 -11.38305 -11.34212 -11.33785 -11.32489 -11.29898 -11.29798 -11.29181 -11.28896 -11.28705 -11.28469 -11.28383 -11.28249 -11.28181 -11.28030 -11.27925 -1.55422 -1.52374 -1.48534 -1.47986 -1.42679 -1.36214 -1.32240 -1.30837 -1.26832 -1.21554 -1.21008 -1.19247 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5568.16 0.647739 0.679270 0.680214 0.580563 -1560.177058 -1560.145528 -1560.144584 -1560.244235 3.342311D-04 MUNgauss RevisionA2.0 retrievium 18-Feb-2020 DUDE C[C@H](CCc1ccccc1)NC(=O)[C@H](C(C)C)N2C(=O)[C@@]3([C@H]4C(=c5ccccc5=[NH+]4)CCN3C2=O)C C63372402 RHF 6-31G(d) (6D,10F) C1 487.270916 |X|Y|Z| 113.007998 45.023828 68.823456 70.484890 28 6 7 24 4 |36.858105| |12.471196|36.858105| |8.897391|17.641808|0.500000| |7.518401|12.425779|0.246493|36.858105| |4.857194|7.392614|0.190924|12.408516|36.858105| |3.760869|4.862593|0.126737|7.514783|12.578785|36.858105| |3.315797|4.035658|0.110698|5.665087|7.538024|13.700923|36.858105| |2.743231|3.168247|0.086173|4.162999|5.005893|7.887509|13.750333|36.858105| |2.538268|2.895067|0.076874|3.749050|4.419224|6.812107|7.932046|13.750715|36.858105| |2.719782|3.156427|0.081616|4.161666|5.006005|7.886304|6.894499|7.960891|13.751929|36.858105| |3.274495|4.011248|0.101519|5.661395|7.539551|13.700956|7.978607|6.895930|7.933220|13.749566|36.858105| |7.793289|13.003994|0.259255|7.698481|6.251288|4.282172|3.455162|2.810099|2.664069|2.989951|3.806366|53.358707| |5.330174|7.690189|0.210099|5.538899|5.432977|3.840245|3.172338|2.608217|2.470992|2.747788|3.433276|19.376813|36.858105| |4.708023|6.695861|0.220210|5.065723|5.330109|3.779985|3.235099|2.634566|2.441321|2.649426|3.262899|11.535068|15.813878|73.516695| |3.996073|4.947448|0.130771|4.067726|4.105286|3.199994|2.670316|2.282233|2.225526|2.503476|3.044791|10.584827|12.336945|14.221941|36.858105| |3.864483|4.731921|0.118781|4.151103|4.203397|3.353158|2.734342|2.357054|2.343716|2.697645|3.310368|9.982635|8.859988|10.752817|17.606083|0.500000| |3.688589|4.094854|0.108960|3.316103|3.186183|2.595852|2.240274|1.955529|1.910993|2.116026|2.490978|7.876618|7.271661|10.005458|12.297604|0.246291|36.858105| |4.249103|4.327544|0.109452|3.431683|3.095738|2.547340|2.203689|1.932416|1.893970|2.097352|2.457745|8.146783|6.075710|8.243972|7.475079|0.191411|12.418480|36.858105| |2.884031|3.138140|0.083710|2.711979|2.674945|2.274475|1.982042|1.767039|1.752280|1.943325|2.240603|5.580056|4.829517|7.265923|7.535017|0.192553|12.428942|7.606020|36.858105| |3.204890|3.954820|0.110465|3.477675|3.780844|3.045594|2.584990|2.229278|2.173489|2.424927|2.904482|7.247806|7.951415|12.963616|12.974264|0.260016|7.550524|4.926114|6.449082|53.358707| |2.935648|3.675382|0.101894|3.480317|4.050543|3.353531|2.803172|2.426058|2.392088|2.706333|3.262642|6.355553|6.193973|10.591194|7.780109|0.209906|5.084551|3.848763|4.741946|19.074263|36.858105| |2.959174|3.716891|0.099254|3.712570|4.425340|3.758078|3.033385|2.637724|2.660155|3.108735|3.821026|6.377661|5.604475|9.008540|6.672576|0.214639|4.487782|3.667843|4.241556|11.333249|15.964512|73.516695| |2.520432|3.081383|0.088730|2.952909|3.476893|2.992301|2.614189|2.293550|2.237032|2.459587|2.868306|4.932800|4.621787|8.876914|5.140335|0.132432|3.930972|3.075517|3.782021|11.107196|12.490932|14.028406|36.858105| |2.118806|2.497816|0.070722|2.441342|2.815845|2.549471|2.266399|2.051787|2.040768|2.239675|2.527459|3.915372|3.443411|6.336226|3.926998|0.106710|3.263479|2.637053|3.374408|7.491205|7.389562|10.821347|12.201605|36.858105| |1.972162|2.312034|0.066103|2.287115|2.658224|2.454750|2.226290|2.033878|2.014479|2.178788|2.420413|3.521514|3.036475|5.711576|3.302840|0.089412|2.799825|2.323840|2.848941|5.940872|5.534285|8.599666|8.813985|17.501446|0.500000| |1.969563|2.262066|0.063985|2.163182|2.403772|2.173191|1.954611|1.782632|1.772381|1.929870|2.153566|3.558104|3.117934|5.672389|3.679359|0.098230|3.285218|2.621295|3.590981|6.852022|5.652523|8.261465|7.472001|12.687798|0.251601|36.858105| |1.857218|2.102507|0.058464|2.028516|2.225823|2.043512|1.832363|1.690721|1.704705|1.870276|2.067304|3.313365|2.820172|4.961345|3.390303|0.094226|3.107277|2.537866|3.558279|5.903359|4.829090|7.696124|5.399705|8.199349|0.177447|14.082639|36.858105| |1.699605|1.883310|0.052148|1.807506|1.941052|1.794041|1.622782|1.509624|1.525734|1.664971|1.820295|2.946195|2.458578|4.284356|2.946843|0.082060|2.850455|2.380689|3.382560|4.822776|3.694573|6.049131|3.906032|5.073000|0.121603|7.430007|13.194542|36.858105| |1.617472|1.776175|0.048657|1.722142|1.837638|1.720431|1.555076|1.459708|1.490526|1.633895|1.770670|2.766147|2.255864|3.871845|2.688143|0.076868|2.615715|2.252017|3.118310|4.211070|3.251402|5.581650|3.285017|4.102829|0.100651|5.142627|7.962688|14.211378|36.858105| |1.654737|1.827419|0.049598|1.800990|1.937537|1.835422|1.646149|1.553313|1.605054|1.778869|1.921784|2.845848|2.290871|3.890076|2.716508|0.079999|2.568340|2.244616|2.999863|4.201816|3.379099|6.088778|3.316281|4.156142|0.101658|4.656937|6.888240|7.860694|13.151676|36.858105| |1.784057|2.004539|0.054340|1.998328|2.192810|2.081319|1.846966|1.736640|1.801674|2.017220|2.195442|3.135626|2.538843|4.312295|3.004666|0.089720|2.719810|2.354858|3.087135|4.757042|4.063731|7.558025|3.971667|5.201850|0.123777|5.297774|7.650522|6.599955|7.700542|14.063554|36.858105| |1.907711|2.179647|0.059849|2.151734|2.398126|2.234393|1.978636|1.834620|1.876095|2.089618|2.309710|3.436106|2.872155|4.968790|3.424252|0.099497|3.014126|2.518386|3.370366|5.818550|5.202615|9.095226|5.449228|8.380598|0.179500|8.439322|13.171528|7.626342|6.809809|8.077697|13.446936|36.858105| |2.054237|2.401878|0.066382|2.400185|2.761177|2.564972|2.251902|2.068502|2.106163|2.355529|2.637171|3.775763|3.196048|5.622709|3.705336|0.107140|3.090560|2.570524|3.277012|6.536706|6.583877|11.637019|7.444865|13.173160|0.255294|8.269353|8.417092|5.281057|4.652456|5.260779|7.724749|14.496362|53.358707| |2.122665|2.503799|0.068544|2.561057|3.003488|2.835983|2.456179|2.261802|2.331011|2.648636|2.975981|3.914107|3.246886|5.650716|3.676030|0.109436|2.997294|2.548304|3.102845|6.212355|6.499834|13.184034|6.649968|8.808665|0.200795|5.841046|5.919691|4.233909|3.952312|4.646561|6.817090|9.280744|25.973723|0.500000| |1.936444|2.202112|0.063386|2.064453|2.259974|2.023195|1.847085|1.678181|1.645888|1.766074|1.966185|3.422902|3.029186|5.682511|3.482220|0.089026|3.242000|2.572086|3.477726|6.355992|4.699026|6.725945|6.204102|7.346070|0.182335|12.709489|7.325865|5.721860|4.103344|3.569878|3.789370|5.095510|6.950351|0.114147|36.858105| |2.150911|2.491695|0.073468|2.305684|2.551257|2.234963|2.045680|1.828718|1.764352|1.880576|2.119097|3.849953|3.518194|6.981647|3.859526|0.094703|3.471870|2.723677|3.462377|7.277442|5.235149|7.125712|7.595362|6.796817|0.176325|7.652463|5.022179|4.016155|3.171096|2.919496|3.178964|4.130135|6.190454|0.108061|12.336886|36.858105| |2.525691|3.027284|0.089193|2.772626|3.119419|2.644016|2.358872|2.068000|1.991766|2.153492|2.488161|4.846600|4.700757|9.476331|5.256417|0.124507|4.311323|3.242191|4.100518|11.594399|8.275139|9.788728|13.176311|7.762648|0.177926|7.117077|4.951207|3.829378|3.131584|3.001418|3.379298|4.428464|7.051752|0.126514|7.762053|13.169750|53.358707| |2.857049|3.414384|0.099701|2.984183|3.223494|2.655738|2.338404|2.034422|1.960642|2.135215|2.495110|5.771201|6.003499|11.599354|7.469615|0.157692|6.145548|4.164573|5.530520|18.537336|8.377635|9.874451|8.155320|5.563096|0.126825|5.544526|4.393130|3.621872|3.035965|2.900797|3.191097|3.974400|5.953584|0.110395|5.925169|7.768965|18.879831|36.858105| |2.781474|3.197266|0.094004|2.730665|2.843922|2.365381|2.117762|1.855714|1.782822|1.921758|2.217458|5.294458|5.268622|10.105331|6.313717|0.133609|6.366526|4.298595|5.728699|11.207915|5.580362|7.478810|5.483533|4.297044|0.102914|4.596387|3.808888|3.348817|2.824463|2.636007|2.800200|3.358644|4.803799|0.089555|5.328531|6.685866|11.391876|16.065974|73.516695| |2.541016|3.166490|0.093207|3.151966|3.935901|3.432802|3.042179|2.636006|2.523211|2.732534|3.193561|4.786609|4.296965|8.718991|4.214875|0.110448|3.260320|2.702303|3.021796|7.643940|7.669348|11.359330|12.435822|7.464417|0.206898|4.990473|3.948412|3.055987|2.675847|2.750202|3.266147|4.150592|7.623890|0.156715|4.503523|5.664979|10.472531|5.559005|7.512249|36.858105| |17.570833|8.797578|0.214491|5.477031|4.027643|3.178430|2.851285|2.402938|2.235186|2.380572|2.814070|9.636118|5.328686|8.457969|4.079064|0.105748|3.989119|4.726182|3.049246|4.410171|2.873483|5.021784|2.487347|2.092640|0.053968|1.976974|1.859235|1.713615|1.622987|1.642362|1.754896|1.882315|2.733421|0.056925|1.971093|2.194588|3.483286|2.952684|5.253080|2.463137|0.500000| |17.573025|8.818132|0.211711|6.886734|4.553724|3.697433|3.410897|2.831912|2.571347|2.685574|3.163895|7.651674|4.272305|7.141138|3.308382|0.089110|3.070845|3.435505|2.485414|3.784339|2.600180|4.663988|2.294070|1.949702|0.051041|1.810505|1.706188|1.565812|1.492737|1.526881|1.643091|1.752107|2.570233|0.054269|1.787556|1.986303|3.123693|2.536564|4.401890|2.357306|0.301296|0.500000| |17.525045|8.769768|0.173393|6.788502|4.467580|3.627899|3.151305|2.669694|2.533623|2.760143|3.302478|9.503179|4.755107|7.184204|3.841131|0.107740|3.602266|4.340096|2.881404|4.147607|2.819499|5.164417|2.390690|2.044993|0.052663|1.907834|1.824756|1.680691|1.615936|1.664444|1.790285|1.889512|2.745956|0.058186|1.855043|2.024067|3.219265|2.670895|4.606645|2.380806|0.300650|0.302029|0.500000| |6.848471|8.839294|0.173975|17.502607|8.826683|6.877248|5.065844|3.991389|3.806089|4.418754|6.036224|9.499234|4.936269|7.620879|3.926398|0.116758|3.255917|3.473038|2.713588|4.491750|3.323514|6.498218|2.772242|2.347171|0.060716|2.093205|1.996721|1.792044|1.727335|1.822707|2.019912|2.139856|3.213754|0.070470|1.974496|2.160325|3.509142|2.785672|4.542924|2.888577|0.140025|0.169691|0.202438|0.500000| |7.059508|8.915963|0.211638|17.539681|8.858449|6.944010|6.088084|4.450871|3.833094|4.020940|5.107512|7.642801|4.377076|7.499175|3.349700|0.093595|2.851008|2.971478|2.375790|4.010953|2.945821|5.503498|2.593838|2.183571|0.057633|1.951674|1.831855|1.646189|1.571732|1.637228|1.802448|1.930589|2.911567|0.063074|1.881349|2.098769|3.356515|2.617677|4.330762|2.801739|0.143226|0.213143|0.173102|0.304321|0.500000| |4.561696|6.845373|0.208477|8.858187|17.540734|8.899880|7.132116|4.722354|3.973503|4.213891|5.670562|7.707094|5.372138|10.437336|3.952473|0.107182|3.100083|2.945404|2.592724|5.146295|4.008687|7.376133|3.613664|2.866993|0.076244|2.442227|2.218871|1.927929|1.804625|1.880759|2.120252|2.352730|3.709040|0.081099|2.337784|2.705657|4.497662|3.356692|5.274683|4.271445|0.109102|0.121944|0.111332|0.173618|0.211508|0.500000| |4.476648|6.740912|0.170428|8.833344|17.556382|8.927152|5.679285|4.220526|3.980451|4.732594|7.155851|9.488108|6.426215|10.625955|4.963898|0.145753|3.614749|3.408069|3.033659|6.249968|5.127898|10.469182|4.130929|3.263044|0.083706|2.730211|2.526377|2.169948|2.048751|2.176349|2.499934|2.761348|4.398663|0.098974|2.515319|2.829277|4.858664|3.708009|5.633993|4.585565|0.106975|0.111377|0.117559|0.211654|0.173757|0.303864|0.500000| |3.421264|4.156639|0.119524|5.556222|6.994514|8.909581|17.691935|8.934398|5.647561|4.961202|5.658848|4.681546|3.191239|5.960874|2.630825|0.073180|2.226501|2.184933|1.951944|3.474840|2.718460|5.082480|2.577173|2.211406|0.060635|1.921623|1.783950|1.583252|1.506694|1.578279|1.758688|1.898659|2.932508|0.064340|1.843929|2.069110|3.231572|2.354330|3.823933|3.021823|0.082292|0.100040|0.087612|0.129793|0.175857|0.213736|0.143924|0.500000| |2.503782|2.823703|0.078137|3.551492|4.087384|5.627454|8.925111|17.714463|8.913338|5.653548|4.963693|3.399964|2.341748|4.253148|2.058908|0.058464|1.791186|1.771231|1.625375|2.752425|2.178831|4.141710|2.094632|1.889105|0.052445|1.656684|1.569298|1.409647|1.362067|1.440940|1.598968|1.687930|2.572601|0.056837|1.573995|1.715582|2.604792|1.875763|3.070185|2.404815|0.061711|0.072808|0.067276|0.093732|0.107737|0.112089|0.097211|0.216061|0.500000| |2.240740|2.496971|0.066638|3.113482|3.537092|4.920462|5.641233|8.905332|17.719341|8.904753|5.641385|3.159636|2.171113|3.817643|1.986340|0.058006|1.731550|1.719604|1.605294|2.653618|2.135690|4.191424|2.019507|1.873971|0.051686|1.642213|1.589442|1.433300|1.407525|1.516595|1.692130|1.746550|2.643312|0.059428|1.527426|1.623809|2.462711|1.775789|2.890270|2.256997|0.055498|0.063274|0.062437|0.088324|0.088860|0.090457|0.090588|0.124190|0.214621|0.500000| |2.472250|2.808758|0.072294|3.549955|4.087063|5.625955|4.962598|5.653422|8.914176|17.710046|8.921421|3.718772|2.528100|4.288129|2.369101|0.071735|2.025465|2.013286|1.890568|3.130065|2.571162|5.298008|2.332448|2.170429|0.058529|1.882526|1.849781|1.656788|1.643127|1.806623|2.048281|2.086054|3.166803|0.073035|1.709106|1.793533|2.774298|2.021949|3.243525|2.538504|0.060843|0.067290|0.070701|0.107118|0.094325|0.097083|0.112280|0.107654|0.124175|0.214628|0.500000| |3.342146|4.110306|0.101282|5.551364|6.998965|8.910955|5.658931|4.961472|5.647089|8.931390|17.686033|5.642502|3.720828|6.061490|3.396687|0.106354|2.734757|2.697922|2.472142|4.350679|3.631498|7.902124|3.066986|2.707723|0.070692|2.303546|2.234704|1.961867|1.918447|2.103211|2.422494|2.531326|3.927592|0.091548|2.073384|2.211350|3.575705|2.666305|4.177341|3.303395|0.080271|0.086994|0.095601|0.174879|0.130659|0.143850|0.214576|0.124200|0.107664|0.124169|0.215898|0.500000| |7.078497|9.009582|0.180724|6.686204|5.385454|3.994974|3.207240|2.679184|2.604306|2.974058|3.752392|26.049651|9.459301|10.873736|7.475138|0.225083|5.929622|6.793279|4.314051|6.731341|4.395177|8.171020|3.355650|2.756080|0.068422|2.532172|2.412005|2.168205|2.063790|2.140723|2.349112|2.526047|3.716624|0.079002|2.402233|2.626562|4.426673|3.861807|6.347681|3.183671|0.178168|0.142645|0.206054|0.195322|0.139365|0.129739|0.169430|0.086643|0.066001|0.063476|0.076929|0.117371|0.500000| |3.571237|3.918237|0.109160|3.121066|3.006683|2.450666|2.155942|1.880089|1.816423|1.980804|2.311522|7.064670|6.727144|10.394895|8.858064|0.174658|17.634550|8.913853|8.905430|9.286387|4.606011|6.983907|3.832921|3.154137|0.076369|3.225843|2.972256|2.740276|2.473334|2.383317|2.503119|2.806780|3.931833|0.076923|3.336982|3.686148|6.104638|6.620609|14.071763|3.216823|0.110511|0.083954|0.093859|0.083044|0.076060|0.083640|0.092500|0.060397|0.048263|0.045848|0.052368|0.069113|0.138206|0.500000| |4.156848|4.235173|0.103126|3.518241|3.158571|2.637805|2.251373|1.986640|1.973794|2.217236|2.604288|7.970468|5.508308|7.388613|6.825793|0.206142|8.721139|17.506040|6.788872|6.247503|3.798479|6.756338|2.975113|2.595378|0.063423|2.548829|2.517314|2.363065|2.277404|2.314820|2.439947|2.559514|3.543643|0.072726|2.436727|2.536400|4.105000|3.731615|6.562035|2.630343|0.121806|0.093528|0.124335|0.102874|0.083752|0.081187|0.097635|0.061085|0.050231|0.049763|0.059650|0.080934|0.205573|0.173253|0.500000| |3.630986|3.559025|0.092118|2.904283|2.638424|2.228056|1.963106|1.744359|1.712945|1.879083|2.160918|6.146810|4.600673|6.748315|5.472812|0.141959|8.854937|17.578992|7.123334|5.563911|3.274908|5.527656|2.725109|2.400488|0.059265|2.441147|2.387528|2.293635|2.181021|2.145302|2.206570|2.334361|3.185223|0.063867|2.428927|2.531323|3.964636|3.669387|6.991622|2.398066|0.113758|0.084403|0.103355|0.081703|0.071783|0.070462|0.079309|0.054248|0.044806|0.043602|0.050426|0.065246|0.137841|0.212458|0.302709|0.500000| |5.382243|5.215783|0.130364|3.857129|3.330016|2.687242|2.334834|2.024964|1.960119|2.153194|2.537367|9.690497|6.616773|8.967020|6.650890|0.165140|8.698127|17.608260|5.498519|6.112595|3.593047|6.105186|2.930929|2.477320|0.061554|2.423689|2.313798|2.155445|2.034130|2.033458|2.146571|2.304744|3.254324|0.066370|2.403004|2.602587|4.211265|3.898772|7.161573|2.661573|0.177373|0.115786|0.149252|0.106658|0.092998|0.088492|0.099271|0.064980|0.051627|0.049215|0.056781|0.076304|0.216262|0.214406|0.300345|0.303453|0.500000| |2.617356|2.896313|0.078975|2.545745|2.581410|2.211162|1.940254|1.734571|1.717604|1.895857|2.173973|5.014455|4.489731|7.144743|6.786546|0.168191|8.723084|5.499573|17.603523|9.753365|5.205972|7.841584|4.311885|3.910526|0.089821|4.375124|4.286865|4.047959|3.576137|3.331759|3.415521|3.862324|5.027662|0.094007|4.278120|4.130792|6.606774|6.678112|12.320034|3.282984|0.076256|0.063691|0.071634|0.069878|0.062354|0.070511|0.081540|0.053202|0.044452|0.043804|0.051220|0.066190|0.104067|0.213348|0.138565|0.144313|0.122369|0.500000| |2.688099|2.824189|0.075653|2.440374|2.370884|2.043527|1.806305|1.623345|1.608508|1.768001|2.011880|4.824946|4.001989|6.205705|5.487104|0.141875|8.831466|7.054758|17.572892|6.540831|3.749666|6.075047|3.161568|2.891871|0.069478|3.127713|3.130294|3.093857|2.890033|2.734930|2.739233|2.927021|3.823472|0.073926|3.112835|3.070023|4.718419|4.472621|8.723354|2.605750|0.080159|0.064994|0.074942|0.067990|0.060409|0.064129|0.073048|0.049633|0.041776|0.041203|0.047914|0.061037|0.103681|0.212983|0.170414|0.219154|0.143909|0.303148|0.500000| |2.811426|3.058966|0.079807|2.720733|2.690578|2.320335|2.002363|1.797041|1.804617|2.025743|2.333978|5.436100|4.480597|6.612532|6.861822|0.207263|8.755371|6.844912|17.517580|7.925604|4.701052|7.972124|3.638643|3.338760|0.077991|3.484252|3.594178|3.428373|3.276467|3.254619|3.361393|3.550466|4.630834|0.090917|3.222062|3.139147|5.052307|4.682085|8.072387|2.934768|0.080729|0.067385|0.079806|0.077308|0.065848|0.071017|0.085636|0.054110|0.045671|0.045966|0.055284|0.072696|0.121560|0.173452|0.200004|0.173872|0.138966|0.300516|0.301825|0.500000| |1.644911|1.808558|0.050419|1.719395|1.831146|1.685917|1.536991|1.428532|1.434190|1.552380|1.694291|2.812080|2.351777|4.138879|2.790853|0.076117|2.771220|2.314624|3.286561|4.526775|3.341614|5.372423|3.583550|4.422673|0.109477|6.565325|8.709141|17.744355|9.021429|5.582479|4.810680|5.488981|5.827028|0.098133|6.021925|4.090372|5.054658|3.544053|6.045850|2.845533|0.046429|0.042201|0.044991|0.047118|0.043745|0.050904|0.056311|0.041953|0.037245|0.037479|0.042728|0.050331|0.057178|0.075614|0.062920|0.062729|0.058405|0.110206|0.085525|0.089871|0.500000| |1.514877|1.643869|0.045007|1.590312|1.679115|1.577606|1.435235|1.353040|1.381352|1.506555|1.622217|2.540965|2.050627|3.517835|2.418259|0.068897|2.407638|2.109781|2.876629|3.691745|2.787357|4.799441|2.799001|3.355084|0.084368|4.106143|5.628965|9.048870|17.756540|8.765550|5.584187|4.924847|5.017844|0.089983|3.525961|2.790618|3.712096|2.684522|4.548467|2.335580|0.042377|0.038959|0.042149|0.044408|0.040562|0.045814|0.051503|0.038715|0.035218|0.036393|0.042163|0.048608|0.052823|0.063648|0.059214|0.057551|0.053002|0.090144|0.076056|0.083637|0.215359|0.500000| |1.567311|1.713578|0.046269|1.698329|1.812065|1.733928|1.560885|1.484656|1.544007|1.710882|1.829992|2.646906|2.094871|3.539548|2.452764|0.072789|2.345535|2.099498|2.723119|3.679482|2.923771|5.362457|2.829510|3.400955|0.085281|3.688316|4.961424|5.656107|8.795212|17.723148|9.096890|5.703513|5.717936|0.108572|2.975872|2.508452|3.514816|2.528226|4.140435|2.418380|0.043133|0.040306|0.044076|0.048095|0.043095|0.048601|0.056099|0.041453|0.038326|0.040763|0.048663|0.055618|0.055717|0.060351|0.060679|0.056133|0.052972|0.081876|0.070108|0.082861|0.123980|0.215663|0.500000| |1.782686|2.004156|0.053915|2.032153|2.241318|2.163426|1.911792|1.812499|1.905295|2.154524|2.326297|3.111377|2.472703|4.173171|2.872306|0.087447|2.567740|2.271934|2.848153|4.420956|3.836322|7.521259|3.656652|4.548283|0.111689|4.298151|5.492820|4.811703|5.516193|8.945899|17.756268|8.757672|9.252002|0.192650|3.223613|2.829539|4.161433|2.904728|4.531188|3.144572|0.048269|0.045730|0.049998|0.057573|0.050921|0.059539|0.071041|0.050057|0.046152|0.049832|0.061522|0.071859|0.065174|0.065206|0.066262|0.058829|0.057952|0.085020|0.070386|0.087173|0.105146|0.123107|0.216739|0.500000| |1.930666|2.165300|0.061971|2.003349|2.149682|1.916305|1.746995|1.588433|1.560417|1.676717|1.866431|3.395270|2.996100|5.515602|3.535627|0.089734|3.459587|2.714211|3.861457|6.263247|4.324188|6.263157|5.104402|5.616300|0.136111|9.011503|6.752559|6.052139|4.276503|3.566521|3.627191|4.633486|5.968140|0.100602|17.568509|8.760121|8.863114|5.881122|10.259026|3.782129|0.055133|0.049279|0.051577|0.053533|0.050720|0.061313|0.066233|0.048464|0.041414|0.040288|0.045205|0.054898|0.066784|0.099946|0.070759|0.072287|0.069480|0.136898|0.097486|0.097193|0.192628|0.104297|0.083148|0.085282|0.500000| |1.755815|1.976557|0.056980|1.871662|2.046564|1.861515|1.721460|1.579555|1.550022|1.649283|1.812816|3.011946|2.603987|4.899225|2.908993|0.075433|2.741631|2.246429|2.923454|5.040590|3.789028|5.682694|4.892496|5.970409|0.166870|8.950436|6.240187|5.305338|3.886739|3.347622|3.481783|4.495638|6.046326|0.101396|17.523005|8.724343|7.713301|4.489762|7.468224|3.928747|0.049557|0.045461|0.046784|0.049787|0.047891|0.058958|0.062427|0.047822|0.041437|0.040229|0.044458|0.052667|0.058859|0.078506|0.059450|0.059520|0.058834|0.096719|0.074453|0.076202|0.161392|0.094825|0.078558|0.082997|0.303010|0.500000| |2.150205|2.454393|0.073050|2.229597|2.414583|2.103908|1.941818|1.734504|1.663562|1.761114|1.979451|3.764066|3.431313|6.881697|3.706836|0.089148|3.494306|2.748663|3.442571|6.602016|4.411172|6.167487|5.621585|4.946322|0.129861|5.622450|4.137335|3.552580|2.862407|2.607454|2.768053|3.437735|4.983731|0.089568|8.764527|17.678473|12.582466|7.339006|13.392554|4.563996|0.061810|0.055250|0.055863|0.057825|0.056804|0.071489|0.073218|0.055048|0.045457|0.042615|0.046573|0.057088|0.071041|0.107226|0.069796|0.071907|0.073458|0.113322|0.086801|0.084536|0.103760|0.071690|0.063267|0.069055|0.222385|0.197107|0.500000| |2.046283|2.374701|0.070532|2.237481|2.513397|2.234531|2.073291|1.861407|1.787193|1.886597|2.108413|3.575314|3.193138|6.433125|3.352417|0.083977|2.980908|2.421390|2.928429|6.031336|4.608813|6.566975|6.917763|6.443582|0.191845|6.433488|4.421877|3.558425|2.884902|2.705650|2.972655|3.812724|5.892214|0.104993|8.746436|17.592749|12.555583|5.781833|8.963147|6.067426|0.057501|0.053117|0.053344|0.057920|0.057132|0.074974|0.076508|0.058504|0.048769|0.045795|0.049822|0.060376|0.067473|0.087115|0.063284|0.062537|0.065214|0.093730|0.073006|0.075291|0.099633|0.070961|0.065224|0.074727|0.174245|0.220787|0.303180|0.500000| 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