Version2.0 2020-01-16T12:18:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCOc1ccc(cc1)C(=O)N(CCCN2CCOCC2)c3nc4c(ccc(c4s3)OC)OC C36706133 RHF 6-31G(d) (6D,7F) CCCCOc1ccc(cc1)C(=O)N(CCCN2CCOCC2)c3nc4c(ccc(c4s3)OC)OC C01[X(C27H35N3O5S1)] 207 C1 614 CCCCOc1ccc(cc1)C(=O)N(c1sc2c(n1)c(OC)ccc2OC)CCCN1CCOCC1 CCCCOc1ccc(cc1)C(=O)N(c1sc2c(n1)c(OC)ccc2OC)CCCN1CCOCC1 CCCCOc1ccc(cc1)C(=O)N(CCCN2CCOCC2)c3sc4c(OC)ccc(OC)c4n3 InChIKey=SXHUWJUNCQQGNF-UHFFFAOYSA-N InChI=1S/C27H35N3O5S/c1-4-5-17-35-21-9-7-20(8-10-21)26(31)30(14-6-13-29-15-18-34-19-16-29)27-28-24-22(32-2)11-12-23(33-3)25(24)36-27/h7-12H,4-6,13-19H2,1-3H3 InChI=1/C27H35N3O5S/c1-4-5-17-35-21-9-7-20(8-10-21)26(31)30(14-6-13-29-15-18-34-19-16-29)27-28-24-22(32-2)11-12-23(33-3)25(24)36-27/h7-12H,4-6,13-19H2,1-3H3 CCCCOc1ccc(cc1)C(=O)N(CCCN2CCOCC2)c3nc4c(ccc(c4s3)OC)OC C01[X(C27H35N3O5S1)] 207 C01 614 CCCCOc1ccc(cc1)C(=O)N(c1sc2c(n1)c(OC)ccc2OC)CCCN1CCOCC1 CCCCOc1ccc(cc1)C(=O)N(c1sc2c(n1)c(OC)ccc2OC)CCCN1CCOCC1 CCCCOc1ccc(cc1)C(=O)N(CCCN2CCOCC2)c3sc4c(OC)ccc(OC)c4n3 InChIKey=SXHUWJUNCQQGNF-UHFFFAOYSA-N InChI=1S/C27H35N3O5S/c1-4-5-17-35-21-9-7-20(8-10-21)26(31)30(14-6-13-29-15-18-34-19-16-29)27-28-24-22(32-2)11-12-23(33-3)25(24)36-27/h7-12H,4-6,13-19H2,1-3H3 InChI=1/C27H35N3O5S/c1-4-5-17-35-21-9-7-20(8-10-21)26(31)30(14-6-13-29-15-18-34-19-16-29)27-28-24-22(32-2)11-12-23(33-3)25(24)36-27/h7-12H,4-6,13-19H2,1-3H3 3946.1859959323 -1977.9486427 1-A 30344.2590 137 477 614 |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|A|A|A|A|A|A|A| -91.96859 -20.59400 -20.59297 -20.58487 -20.55465 -20.52764 -15.59924 -15.56725 -15.55139 -11.35550 -11.33853 -11.30915 -11.30082 -11.29599 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12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 16564.3960 39891.4069 51547.0985 0.99999 0.00316 -0.00081 -0.00316 0.99999 0.00066 0.00081 -0.00066 1.00000 1 0.00523 0.00217 0.00168 0.10895 0.04524 0.03501 6.61 18.60 19.54 27.12 29.21 46.97 58.30 77.09 85.60 97.88 100.87 105.87 110.96 133.48 142.22 183.73 191.31 193.91 219.15 225.94 230.53 260.26 264.02 286.73 289.55 314.66 354.04 375.82 379.36 382.11 386.58 406.94 415.25 440.71 449.87 513.78 517.66 537.50 555.98 574.38 605.86 616.75 643.42 659.54 665.61 673.80 682.93 742.72 764.11 779.12 786.96 807.94 861.61 882.56 947.89 960.32 980.38 993.56 1011.20 1020.43 1045.28 1078.63 1106.28 1138.08 1144.71 1151.76 1158.55 1205.80 1230.32 1254.94 1270.04 1277.38 1310.03 1319.53 1337.56 1357.19 1367.46 1380.62 1408.16 1418.93 1421.41 1448.42 1470.46 1498.83 1566.12 1571.82 1586.73 1589.87 1592.44 1597.16 1623.15 1641.87 1645.67 1654.31 1666.64 1695.53 1717.53 1734.86 1742.73 1745.47 1779.04 1787.54 1799.33 1830.35 1842.22 1853.65 1862.39 1862.79 1863.21 1869.58 1878.83 1882.41 1888.89 1916.28 1918.12 1925.53 1946.53 1962.77 1976.47 1977.45 2010.44 2026.07 2046.30 2050.80 2063.38 2065.36 2069.13 2084.19 2087.14 2096.43 2104.97 2107.66 2122.94 2127.50 2170.97 2204.95 2214.81 2218.94 2239.64 2244.91 2256.23 2259.59 2269.04 2283.99 2289.92 2299.97 2337.15 2348.37 2354.82 2356.71 2364.62 2365.58 2368.98 2371.84 2372.56 2373.48 2374.52 2382.23 2384.26 2387.72 2389.93 2394.47 2401.52 2410.64 2424.69 2443.83 2543.88 2547.91 2587.14 2602.75 2612.32 2787.99 4472.54 4489.57 4505.68 4583.82 4585.94 4597.80 4603.97 4607.38 4609.75 4616.88 4621.69 4625.08 4626.57 4632.20 4652.57 4668.36 4676.95 4687.50 4697.22 4700.83 4704.06 4707.26 4715.76 4721.54 4727.94 4754.48 4787.32 4788.56 4793.86 4876.65 4883.55 4887.32 4900.99 4908.45 4913.26 0.640537 0.674431 0.675376 0.566997 -1977.308106 -1977.274211 -1977.273267 -1977.381646 3.635049D-04 MUNgauss RevisionA2.0 retrievium 16-Jan-2020 DUDE CCCCOc1ccc(cc1)C(=O)N(CCCN2CCOCC2)c3nc4c(ccc(c4s3)OC)OC C36706133 RHF 6-31G(d) (6D,10F) C1 513.229743 |X|Y|Z| 144.669014 88.567633 39.634892 79.782826 26 6 7 8 16 21 3 1 1 |36.858105| |12.466172|36.858105| |7.488364|12.453627|36.858105| |4.887974|7.519712|12.549076|36.858105| |3.882198|5.093314|8.061246|13.534806|73.516695| |3.084226|3.883849|5.227401|7.976609|25.228493|36.858105| |2.647593|3.144037|4.087181|5.243789|14.599117|13.648277|36.858105| |2.242647|2.614653|3.201218|3.980592|9.438978|7.935399|13.867719|36.858105| |2.134616|2.514351|2.969597|3.773369|8.197752|6.823813|7.907380|13.643201|36.858105| |2.345989|2.849690|3.335723|4.499799|9.257589|7.943271|6.900358|7.977308|13.777624|36.858105| |2.829925|3.593299|4.395370|6.691807|14.012726|13.735949|7.922227|6.875135|7.885251|13.718364|36.858105| |1.829612|2.105224|2.408939|2.918114|6.023184|4.445484|5.075156|7.691689|12.725441|7.506269|5.001175|36.858105| |1.719435|1.950169|2.225645|2.627809|5.426582|3.850764|4.543573|6.656650|8.138248|5.440933|4.083023|15.898494|73.516695| |1.712441|1.962625|2.195046|2.631597|5.221019|3.694064|3.947427|5.235984|7.671467|6.197761|4.298239|13.793686|15.101980|53.358707| |1.755992|2.021469|2.242376|2.696650|5.246615|3.653317|3.734211|4.598510|6.316099|5.939352|4.334291|7.509904|9.443590|17.647270|36.858105| |1.725835|1.993093|2.154824|2.585548|4.816489|3.246173|3.138457|3.615607|4.773404|5.165793|3.989684|5.230828|7.225999|10.318844|12.468059|36.858105| |1.711800|1.966246|2.095335|2.474136|4.514182|2.935417|2.795701|3.076143|3.768715|4.121628|3.501933|3.865164|5.620185|6.743273|7.571524|12.460135|36.858105| |1.676354|1.921532|1.999609|2.335898|4.135129|2.616721|2.439030|2.608818|3.120517|3.511052|3.122662|3.146022|4.738541|5.190406|4.990617|7.655072|13.121875|53.358707| |1.673858|1.903812|1.954943|2.242838|3.915168|2.411746|2.237381|2.333887|2.687133|2.998224|2.797922|2.644363|4.061085|4.179083|3.895439|5.055012|7.917105|17.840677|36.858105| |1.613938|1.823140|1.833415|2.073569|3.552326|2.147269|1.978283|2.037372|2.314127|2.592178|2.472484|2.272914|3.563488|3.503747|3.076892|3.883398|5.088681|10.644003|12.536067|36.858105| |1.462961|1.637843|1.650208|1.853870|3.204903|1.943295|1.816243|1.892043|2.151465|2.367002|2.222492|2.166384|3.441022|3.370303|2.889087|3.667110|4.538888|9.185727|7.916728|13.619292|73.516695| |1.462425|1.646033|1.672884|1.899782|3.311137|2.037499|1.911282|2.020232|2.341971|2.580790|2.363732|2.402244|3.802266|3.810025|3.237241|4.330776|5.067812|10.646782|6.811955|8.213371|24.198247|36.858105| 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|1.231185|1.361482|1.451966|1.638227|3.071725|1.963648|2.025333|2.336954|2.707969|2.565034|2.166196|3.353981|6.045159|5.400611|3.466867|3.547533|2.933681|3.702171|2.278905|2.090735|3.929845|2.588483|3.002927|5.401029|10.479850|13.520068|36.858105| |1.136489|1.245723|1.324959|1.477012|2.768337|1.747889|1.813474|2.069653|2.330481|2.195693|1.894461|2.820398|5.173164|4.384577|2.885479|2.897619|2.505972|3.187018|2.019593|1.869291|3.522028|2.269645|2.576328|4.186005|7.041370|8.008806|13.888127|36.858105| |1.111687|1.213302|1.297030|1.438618|2.718653|1.713921|1.803210|2.066893|2.286556|2.112295|1.830639|2.778976|5.178685|4.265684|2.808559|2.711588|2.380387|2.971823|1.912498|1.753251|3.264643|2.062019|2.351316|4.078425|6.258539|6.890249|7.845130|13.519621|36.858105| |1.170816|1.281163|1.381735|1.539208|2.941934|1.872047|1.998371|2.331050|2.578157|2.323055|1.989864|3.223490|6.071500|4.995227|3.221277|2.971608|2.576424|3.122468|2.003624|1.803977|3.309959|2.077477|2.414671|4.986010|7.105409|7.819045|6.714894|7.871868|13.906783|36.858105| |1.278341|1.412140|1.532432|1.730729|3.327582|2.155377|2.305274|2.753133|3.146866|2.795092|2.325181|4.154808|7.740907|6.807719|4.154037|3.726178|3.072289|3.624336|2.266834|2.008467|3.655570|2.324302|2.772062|7.853395|11.107253|13.784813|7.877806|6.958838|8.060262|13.615205|36.858105| |1.397055|1.551778|1.711121|1.950462|3.832827|2.533581|2.790408|3.474700|3.984796|3.329563|2.706007|5.646851|10.482211|9.402865|5.361462|4.197653|3.401134|3.815067|2.394411|2.069488|3.665211|2.292371|2.772848|10.847260|10.052374|7.456252|4.874339|4.274445|4.723262|6.748020|10.974412|388.023441| |1.141523|1.242071|1.343989|1.485802|2.856572|1.806520|1.951339|2.267565|2.441517|2.174931|1.887724|2.996497|5.696344|4.499934|2.956947|2.660648|2.366207|2.852275|1.866503|1.676715|3.047300|1.878188|2.167193|4.219214|5.563636|5.258188|4.555458|5.153103|7.840975|14.122148|8.167058|44.137642|73.516695| |1.054612|1.139218|1.225596|1.341330|2.562675|1.599352|1.717853|1.958180|2.075857|1.876570|1.659125|2.464041|4.666433|3.621197|2.435840|2.242139|2.041396|2.510386|1.669146|1.519485|2.773649|1.694028|1.917231|3.229291|4.353505|3.966128|3.750730|4.472299|6.679639|8.037213|5.253786|30.355388|24.203110|36.858105| |1.255876|1.394003|1.475292|1.670144|3.093448|1.971250|1.995219|2.270828|2.658868|2.601764|2.207365|3.195349|5.631658|5.096109|3.342031|3.621801|2.983658|3.901144|2.371176|2.215452|4.215860|2.845284|3.236302|4.708377|9.256388|8.128264|14.165081|7.878638|5.157773|4.558103|5.270297|27.776486|6.133995|2.969618|73.516695| |1.171953|1.291846|1.354593|1.516848|2.783055|1.746218|1.756452|1.961256|2.246072|2.223752|1.936985|2.605161|4.624103|4.007437|2.704323|2.941471|2.538715|3.421659|2.135764|2.047404|3.948982|2.639889|2.867660|3.501036|6.177240|5.241169|8.052868|6.728521|4.493355|3.763443|3.983526|21.887184|5.288818|2.688413|24.234353|36.858105| |17.542363|8.777689|6.788613|4.517419|6.686638|2.995896|2.619847|2.216905|2.088931|2.267245|2.711325|1.797434|3.033562|2.270731|1.689721|1.651077|1.621253|2.152949|1.566742|1.509686|2.454124|1.388339|1.429484|1.491624|1.937051|1.293612|1.210685|1.119940|1.096807|1.154608|1.257847|9.762730|2.003907|1.043165|2.192609|1.152666|0.500000| |17.554619|8.779392|5.462154|4.055897|5.808088|2.702376|2.339348|2.024524|1.955015|2.153276|2.551301|1.698124|2.840141|2.185100|1.650966|1.640808|1.637226|2.207072|1.629064|1.589172|2.564276|1.435408|1.461147|1.439023|1.881235|1.257124|1.182363|1.093341|1.066782|1.118268|1.216929|9.381254|1.934950|1.008627|2.151950|1.135418|0.301663|0.500000| |17.541627|8.777168|6.788308|4.517117|6.686450|2.994625|2.616538|2.213833|2.088307|2.267370|2.711331|1.794095|2.996636|2.291242|1.736621|1.694816|1.694153|2.245152|1.658703|1.590116|2.556556|1.430127|1.475647|1.498532|1.935313|1.292323|1.205106|1.115786|1.096405|1.158031|1.261890|9.850685|2.016504|1.048979|2.174212|1.139937|0.301677|0.301652|0.500000| |8.866071|17.509246|8.845039|6.900018|8.377709|3.749916|3.021013|2.553297|2.498238|2.866288|3.594817|2.099143|3.421038|2.703319|2.081424|2.073973|2.079725|2.787169|2.055247|1.972390|3.111386|1.742802|1.793980|1.735983|2.250623|1.477453|1.373794|1.255292|1.221016|1.288742|1.422086|11.105475|2.218250|1.143486|2.504562|1.304865|0.173037|0.213053|0.210868|0.500000| |8.866309|17.510603|8.845747|6.900866|8.378065|3.752369|3.026079|2.557977|2.499280|2.865991|3.594733|2.104445|3.475882|2.670012|2.002562|1.995806|1.949860|2.617398|1.888592|1.825671|2.932940|1.669183|1.713328|1.725327|2.253317|1.479354|1.382005|1.261164|1.221560|1.284056|1.416338|10.980705|2.201621|1.136015|2.532574|1.323905|0.210889|0.213054|0.173034|0.303791|0.500000| |6.847024|8.822566|17.539841|8.946423|13.139342|4.934748|4.059188|3.168793|2.881842|3.155885|4.047076|2.357347|3.939348|2.885413|2.123896|2.026447|1.945656|2.521484|1.796580|1.689548|2.735254|1.569359|1.651044|1.845930|2.357815|1.547930|1.424995|1.304310|1.278951|1.361611|1.505194|11.926887|2.358953|1.212843|2.569346|1.329995|0.203094|0.140069|0.168618|0.173296|0.211074|0.500000| |6.846945|8.822320|17.538369|8.944964|13.138956|4.929334|4.047120|3.159972|2.880281|3.156304|4.047239|2.349915|3.859981|2.927656|2.218832|2.108535|2.074811|2.672393|1.938411|1.803959|2.878444|1.630144|1.722941|1.859024|2.354730|1.545753|1.415988|1.297811|1.278329|1.367215|1.512114|12.087563|2.379483|1.221965|2.540070|1.310667|0.168621|0.140067|0.203086|0.211054|0.173300|0.303386|0.500000| |4.527023|6.834840|8.835824|17.536527|16.526497|7.080460|4.773042|3.804028|3.747684|4.604202|6.785360|2.918606|4.583919|3.678814|2.859292|2.781751|2.722918|3.513025|2.508234|2.304292|3.598179|2.056018|2.190757|2.257132|2.864330|1.829663|1.664133|1.496665|1.455268|1.556947|1.754853|14.066384|2.666735|1.351946|3.021798|1.541013|0.111161|0.108368|0.119591|0.205808|0.170147|0.174132|0.213051|0.500000| |4.526845|6.833994|8.835630|17.540012|16.528689|7.096969|4.793409|3.819766|3.751205|4.602745|6.784091|2.933033|4.719825|3.595352|2.662755|2.599494|2.446924|3.187167|2.219404|2.077283|3.327365|1.936905|2.047192|2.233616|2.869905|1.833296|1.678915|1.506731|1.456193|1.548623|1.743977|13.813028|2.637720|1.339533|3.071818|1.572939|0.119598|0.108362|0.111153|0.170106|0.205797|0.213092|0.174119|0.300877|0.500000| |2.692245|3.112409|4.117658|4.867091|13.508606|8.947615|17.741396|8.909457|5.620721|4.968288|5.655893|4.128609|6.926778|4.519415|3.158790|2.692011|2.451992|2.946841|2.018084|1.801159|2.950943|1.732407|1.920815|2.747150|3.277918|2.110435|1.852166|1.681116|1.684799|1.863379|2.114377|18.043200|3.273528|1.637868|3.227921|1.614879|0.074997|0.065421|0.074844|0.081749|0.081947|0.117347|0.116771|0.120053|0.120697|0.500000| |2.045678|2.328807|2.808471|3.327268|7.621911|5.645392|8.965583|17.741906|8.917880|5.671282|4.955445|7.203446|12.811679|6.717511|4.202554|3.272069|2.807487|3.244896|2.145416|1.880184|3.137442|1.881982|2.148621|3.956382|4.410759|2.786502|2.340317|2.098672|2.130272|2.433955|2.854730|26.236987|4.279985|2.073900|3.969822|1.930554|0.056590|0.051541|0.056463|0.062998|0.063173|0.078308|0.077976|0.088275|0.088765|0.214399|0.500000| |2.194938|2.649324|2.982021|3.908518|7.474090|5.665867|4.969033|5.657730|8.927960|17.747764|8.975197|6.883204|8.934814|8.994288|6.548355|6.409546|4.770576|5.596111|3.355818|2.896213|4.718938|2.963322|3.466013|4.640990|5.787284|3.250757|2.794383|2.345722|2.215357|2.410508|2.928724|24.062245|3.938400|1.906830|5.151419|2.451758|0.058679|0.056810|0.058666|0.074952|0.074977|0.078056|0.078028|0.113798|0.113880|0.107835|0.124404|0.500000| |3.037151|3.991425|4.665241|7.400364|12.481666|8.864967|5.625545|4.957697|5.642647|8.953004|17.769602|4.085815|6.085385|5.076120|3.873659|3.819876|3.463014|4.381919|2.918074|2.627233|4.147874|2.467616|2.699740|2.961678|3.758843|2.302329|2.063470|1.807400|1.731870|1.858799|2.151797|17.341665|3.121132|1.555493|3.793172|1.893653|0.079511|0.076790|0.079509|0.113428|0.113431|0.115333|0.115329|0.225763|0.225738|0.124075|0.107649|0.218335|0.500000| |1.636729|1.858348|2.051084|2.409499|4.682052|3.164628|3.303312|4.000427|4.987808|4.540808|3.573662|5.985777|8.341964|12.493862|17.537569|8.854806|7.029004|6.306214|3.769958|2.956223|4.993720|3.097118|4.085210|7.387663|7.608158|4.462446|3.469457|2.957435|2.954762|3.465928|4.446172|42.490541|5.757595|2.638177|5.745684|2.632518|0.043785|0.042857|0.045286|0.053199|0.050825|0.054115|0.057012|0.070827|0.065449|0.080130|0.106428|0.132807|0.089846|0.500000| |1.922038|2.236055|2.520350|3.087457|6.113312|4.373503|4.437047|5.423698|7.482860|7.182579|5.225867|7.300903|9.024667|12.505879|17.658771|8.822218|6.849506|6.358000|3.851093|3.031557|4.908878|3.002796|3.791776|5.759650|6.247307|3.580904|2.916725|2.492573|2.448203|2.783043|3.449101|31.511147|4.659138|2.202701|5.047408|2.366457|0.051113|0.049802|0.053010|0.064198|0.060930|0.065617|0.069759|0.092115|0.083090|0.101720|0.131429|0.201661|0.125593|0.304574|0.500000| |1.844555|2.159485|2.328326|2.849362|5.230673|3.557995|3.316363|3.752013|5.090077|6.101955|4.618464|5.221346|7.179637|9.238885|8.826517|17.576759|8.901460|9.760223|4.829026|3.905459|6.455000|4.323447|5.729197|5.265175|7.055974|3.844092|3.308287|2.701127|2.496431|2.689781|3.318099|26.060800|4.284987|2.058358|6.217737|2.885353|0.048952|0.048717|0.049863|0.062435|0.060683|0.060629|0.062378|0.085407|0.081037|0.077860|0.091639|0.238783|0.126136|0.173518|0.212698|0.500000| |1.586889|1.812583|1.944047|2.293281|4.258375|2.823443|2.771693|3.201048|4.111197|4.276791|3.378935|4.788301|6.984530|9.583182|8.909067|17.620353|8.784615|9.173530|4.523308|3.661234|6.510288|4.527607|6.686942|6.714404|9.783572|5.190886|4.316461|3.393342|3.091713|3.347530|4.279097|32.009058|5.156610|2.423999|7.935501|3.489233|0.042413|0.042113|0.043213|0.052073|0.050700|0.051297|0.052723|0.067549|0.064601|0.067141|0.082632|0.144203|0.090344|0.210471|0.174234|0.304489|0.500000| |1.587483|1.798894|1.917521|2.222591|4.092046|2.631289|2.570457|2.845265|3.384086|3.518381|3.026120|3.580379|5.343432|6.277888|6.831844|8.813424|17.390210|12.272007|6.895053|4.584507|7.608268|4.645689|7.107670|4.200722|5.414746|3.415713|2.976864|2.585289|2.493806|2.720645|3.214243|25.267741|4.477872|2.169021|5.242277|2.514622|0.041907|0.042218|0.043907|0.052641|0.049314|0.049776|0.053209|0.067249|0.060639|0.063655|0.073967|0.108566|0.081959|0.208693|0.166175|0.173714|0.212449|0.500000| |1.854150|2.146903|2.303507|2.745236|5.008851|3.258233|3.056815|3.297181|3.979073|4.443248|3.889574|3.848844|5.543424|6.350760|7.128951|8.903023|17.537664|12.626180|7.588022|4.848737|7.214904|4.245250|5.709451|3.833755|4.822293|2.952423|2.581451|2.241641|2.159481|2.351577|2.772254|22.450813|3.914069|1.912668|4.631005|2.247311|0.048426|0.049018|0.051236|0.063661|0.058528|0.058685|0.063872|0.085649|0.074135|0.074135|0.082296|0.137755|0.106956|0.181145|0.212128|0.210528|0.173746|0.302776|0.500000| |1.564305|1.758322|1.812338|2.052239|3.623872|2.223879|2.102160|2.204808|2.502912|2.709900|2.521730|2.502583|3.885623|3.971150|3.694400|4.553207|7.041299|12.246353|17.407442|8.887832|12.509228|5.883976|7.067283|2.707892|3.646229|2.412285|2.245835|2.016733|1.929845|2.026247|2.269275|17.012651|3.381423|1.707008|4.088781|2.078235|0.040807|0.042269|0.043336|0.052472|0.048181|0.046516|0.050347|0.063168|0.056001|0.053185|0.057099|0.082523|0.071753|0.104042|0.100373|0.115004|0.116743|0.202610|0.184793|0.500000| |1.823104|2.090535|2.148838|2.479859|4.297220|2.632750|2.407110|2.471557|2.821426|3.196911|3.056705|2.692906|4.104607|4.163420|3.909397|4.810636|7.272051|12.473391|17.553793|8.906462|10.171570|5.061840|5.735202|2.705116|3.585762|2.307619|2.125267|1.890181|1.806310|1.908217|2.160927|16.582844|3.191586|1.605827|3.900751|1.974091|0.047018|0.049142|0.050372|0.063425|0.057125|0.054201|0.059499|0.078561|0.067350|0.060197|0.062467|0.097770|0.089389|0.103717|0.112825|0.131172|0.114163|0.170257|0.235067|0.300669|0.500000| |1.580246|1.768475|1.765091|1.967340|3.357234|2.001349|1.849066|1.886315|2.104518|2.332649|2.262138|2.055663|3.253381|3.122669|2.711564|3.266360|4.187477|7.678680|8.843450|17.601755|16.909751|5.892643|5.057359|2.139803|2.941252|1.966588|1.886252|1.709947|1.618600|1.665107|1.832848|13.461179|2.779001|1.428003|3.519114|1.846609|0.040932|0.043420|0.043474|0.053400|0.048913|0.045110|0.048562|0.060781|0.054340|0.047228|0.048622|0.070901|0.066659|0.073452|0.075183|0.090444|0.085643|0.109311|0.115286|0.217307|0.210925|0.500000| |1.719371|1.960135|1.952920|2.223371|3.749782|2.257668|2.045648|2.087095|2.378224|2.724582|2.634505|2.300048|3.599325|3.494284|3.020009|3.815972|4.713080|9.534296|8.881149|17.497616|16.553455|7.294214|5.909007|2.356115|3.275490|2.137750|2.047786|1.820793|1.699346|1.745871|1.950582|14.319552|2.878506|1.466933|3.898387|2.030723|0.044528|0.047180|0.046711|0.059195|0.054955|0.049783|0.052874|0.069019|0.062483|0.051525|0.053012|0.085374|0.079467|0.078607|0.083625|0.111986|0.098793|0.112926|0.127846|0.173988|0.217507|0.300183|0.500000| |1.354796|1.511914|1.535346|1.727336|3.023778|1.853499|1.756983|1.862946|2.140849|2.318244|2.122369|2.226775|3.581540|3.516405|2.906222|3.744612|4.167962|7.681661|5.066050|5.894213|16.911219|17.604915|8.849073|2.574990|3.825332|2.605780|2.636138|2.336222|2.102484|2.083825|2.298031|15.723252|3.332147|1.704140|5.200510|2.780925|0.035901|0.037005|0.036810|0.044190|0.042652|0.040291|0.041581|0.051398|0.048998|0.044537|0.048691|0.073123|0.061046|0.078427|0.074209|0.102441|0.112782|0.111198|0.097976|0.131984|0.110757|0.132294|0.147748|0.500000| |1.531989|1.735819|1.754013|2.003824|3.456442|2.124881|1.967891|2.067138|2.409032|2.709593|2.497395|2.440439|3.857705|3.812790|3.177433|4.258839|4.692524|9.527181|5.910873|7.292007|16.553036|17.500257|8.881507|2.680380|3.936067|2.570865|2.538214|2.207283|1.992293|2.004055|2.252236|15.842688|3.214375|1.630534|5.049126|2.645092|0.040381|0.041857|0.041331|0.051060|0.049311|0.045675|0.047056|0.060239|0.057395|0.049340|0.053050|0.087680|0.073568|0.082159|0.082767|0.125541|0.121731|0.114104|0.112607|0.134713|0.132371|0.147727|0.217703|0.300255|0.500000| |1.489894|1.688273|1.757587|2.031307|3.635971|2.309285|2.205230|2.414409|2.909064|3.154061|2.723348|3.129115|4.856048|5.310243|4.584410|7.024401|7.123092|12.420798|5.730060|5.060574|10.181315|8.940435|17.599313|3.860192|5.868771|3.702471|3.542022|2.937796|2.617029|2.670743|3.123353|21.708998|4.167737|2.052725|6.990310|3.390503|0.039593|0.040125|0.040465|0.049037|0.047516|0.046138|0.047528|0.060415|0.057609|0.054682|0.062527|0.103921|0.076646|0.119552|0.109167|0.181182|0.240516|0.176847|0.143732|0.143178|0.127720|0.110706|0.132468|0.211907|0.218267|0.500000| |1.414168|1.585257|1.644640|1.870204|3.349045|2.093404|2.016500|2.182815|2.544087|2.698168|2.398260|2.700119|4.239717|4.494047|4.019005|5.433486|6.993102|12.263710|7.077618|5.875494|12.480143|8.879164|17.404874|3.275377|4.709839|3.147593|3.002383|2.627931|2.428719|2.495988|2.826672|19.943737|4.005112|1.999324|5.594608|2.803787|0.037431|0.038173|0.038784|0.046353|0.044106|0.043001|0.045078|0.056007|0.052134|0.050736|0.057214|0.084828|0.067207|0.113428|0.099019|0.130974|0.165402|0.210714|0.144982|0.208070|0.143462|0.131736|0.134665|0.217211|0.173917|0.300858|0.500000| |1.083349|1.183088|1.250371|1.385900|2.578806|1.613542|1.662039|1.871517|2.089484|1.995094|1.745328|2.466820|4.507065|3.768133|2.527196|2.582674|2.278833|2.960818|1.897173|1.783589|3.390019|2.178993|2.415867|3.433142|5.652647|5.661331|8.951648|17.765923|8.939426|5.655842|5.001287|24.502215|7.436125|3.902142|12.502515|7.456666|0.029675|0.029051|0.029511|0.033116|0.033346|0.034223|0.033974|0.038990|0.039369|0.043001|0.052501|0.059219|0.046644|0.071441|0.061605|0.067812|0.083100|0.065021|0.056876|0.052612|0.049213|0.045506|0.048338|0.063116|0.059009|0.075978|0.068404|0.500000| |1.047331|1.136645|1.210979|1.332809|2.511269|1.568621|1.648816|1.868338|2.036202|1.890711|1.662020|2.420144|4.514081|3.641061|2.440347|2.364986|2.122361|2.679111|1.751264|1.619548|3.020463|1.886951|2.117595|3.332846|4.971348|4.965135|5.640287|8.921680|17.758078|8.947922|5.682656|27.425275|12.407855|7.359449|7.445639|3.922312|0.028739|0.027971|0.028730|0.031754|0.031766|0.033226|0.033212|0.037404|0.037423|0.043144|0.053618|0.054725|0.043852|0.071375|0.060145|0.060938|0.073686|0.061871|0.053977|0.049305|0.046041|0.041855|0.043564|0.053731|0.050591|0.064543|0.061027|0.219305|0.500000| |1.022136|1.103100|1.180343|1.289795|2.447021|1.520670|1.617372|1.827515|1.947179|1.784998|1.585076|2.283742|4.242524|3.402122|2.341053|2.197309|2.029028|2.517840|1.681139|1.536427|2.827355|1.724892|1.946121|3.006740|4.132176|3.766500|3.696316|4.529629|6.680017|7.047743|4.750842|27.039529|16.453100|17.558131|5.251209|2.720075|0.028020|0.027234|0.028249|0.030857|0.030562|0.032346|0.032698|0.036266|0.035784|0.042786|0.053192|0.050735|0.041571|0.070732|0.058686|0.055830|0.066437|0.060378|0.052485|0.048068|0.044624|0.040179|0.040981|0.048578|0.045799|0.057685|0.056958|0.112732|0.221989|0.500000| |1.032272|1.113310|1.195940|1.306098|2.491379|1.550700|1.663483|1.889527|1.997461|1.811083|1.606802|2.361726|4.530969|3.414865|2.268133|2.106156|1.906343|2.368097|1.573820|1.445126|2.641389|1.616875|1.811155|3.028465|4.158175|3.790902|3.714561|4.544457|6.691848|7.089260|4.784935|27.253637|16.457871|17.561235|5.272294|2.733355|0.028445|0.027446|0.028452|0.030945|0.030935|0.033002|0.033013|0.036405|0.036390|0.044145|0.055580|0.051126|0.041924|0.066943|0.057272|0.054443|0.063240|0.055565|0.049713|0.044401|0.042113|0.037718|0.038983|0.045289|0.043545|0.054086|0.051982|0.112898|0.220312|0.298817|0.500000| |1.044107|1.124015|1.212078|1.320428|2.531920|1.573998|1.701643|1.932744|2.018349|1.815092|1.616767|2.367747|4.490183|3.428229|2.325949|2.115633|1.946846|2.385624|1.601871|1.455428|2.637800|1.595680|1.801015|2.973642|3.902493|3.398042|3.155009|3.591819|4.880690|5.888104|4.406737|28.176408|16.998420|17.649689|4.587743|2.346291|0.028710|0.027701|0.028937|0.031313|0.031028|0.033354|0.033710|0.036926|0.036456|0.045407|0.057337|0.050733|0.041996|0.070328|0.059248|0.054020|0.062529|0.057549|0.051238|0.045631|0.043098|0.038197|0.039020|0.044369|0.042670|0.053017|0.052182|0.088826|0.144476|0.299833|0.299775|0.500000| |1.121692|1.231740|1.287532|1.434267|2.625395|1.637730|1.646994|1.828797|2.076944|2.057237|1.807165|2.387343|4.209496|3.696014|2.560935|2.795133|2.481122|3.368868|2.126620|2.047147|4.001867|2.662608|2.875372|3.207874|5.476968|4.730125|7.040330|6.722087|4.551927|3.707761|3.780894|20.730837|5.258063|2.720026|16.443456|17.549725|0.030584|0.030246|0.030401|0.034673|0.034944|0.035027|0.034754|0.040644|0.041086|0.042257|0.050118|0.062663|0.049200|0.070521|0.062399|0.074943|0.092007|0.069406|0.060802|0.058176|0.054171|0.051532|0.055770|0.079432|0.072725|0.093185|0.079869|0.225273|0.113418|0.078327|0.076135|0.065705|0.500000| |1.197502|1.323217|1.379489|1.547175|2.814080|1.759971|1.749272|1.935111|2.223959|2.244755|1.968031|2.529540|4.437672|3.857957|2.634198|2.933708|2.542146|3.505947|2.183125|2.125178|4.122425|2.788965|2.955864|3.246901|5.633774|4.398184|5.898138|4.905538|3.603615|3.161547|3.406164|19.777770|4.592731|2.345649|17.017858|17.646278|0.032685|0.032316|0.032236|0.037165|0.037853|0.037576|0.036901|0.043710|0.044852|0.044565|0.052374|0.069455|0.054008|0.070086|0.064647|0.081844|0.095845|0.068787|0.062576|0.058321|0.055943|0.052981|0.059160|0.081997|0.079137|0.097721|0.078578|0.145833|0.089185|0.065695|0.066007|0.057888|0.299892|0.500000| 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