Version2.0 2020-07-18T05:00:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCn1c(nnc1SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])[C@H](C(C)C)NC(=O)c3ccc(cc3)C C16276407 RHF 6-31G(d) (6D,7F) CCn1c(nnc1SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])[C@H](C(C)C)NC(=O)c3ccc(cc3)C C01[X(C25H30N6O4S1)] 192 C1 604 CCn1c(SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])nnc1[C@H](C(C)C)NC(=O)c1ccc(cc1)C CCn1c(SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])nnc1[C@H](C(C)C)NC(=O)c1ccc(cc1)C CCn1c(SCC(=O)Nc2ccc(cc2C)[N+]([O-])=O)nnc1[C@@H](NC(=O)c3ccc(C)cc3)C(C)C InChIKey=UIWUOPKSRCJKIE-QFIPXVFZSA-N InChI=1S/C25H30N6O4S/c1-6-30-23(22(15(2)3)27-24(33)18-9-7-16(4)8-10-18)28-29-25(30)36-14-21(32)26-20-12-11-19(31(34)35)13-17(20)5/h7-13,15,22H,6,14H2,1-5H3,(H,26,32)(H,27,33)/t22-/m0/s1 InChI=1/C25H30N6O4S/c1-6-30-23(22(15(2)3)27-24(33)18-9-7-16(4)8-10-18)28-29-25(30)36-14-21(32)26-20-12-11-19(31(34)35)13-17(20)5/h7-13,15,22H,6,14H2,1-5H3,(H,26,32)(H,27,33)/t22-/m0/s1/f/h26-27H CCn1c(nnc1SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])[C@H](C(C)C)NC(=O)c3ccc(cc3)C C01[X(C25H30N6O4S1)] 192 C01 604 CCn1c(SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])nnc1[C@H](C(C)C)NC(=O)c1ccc(cc1)C CCN1[C]([N][N][C]1[C@H](C(C)C)NC(=O)[C]1[CH][CH][C]([CH][CH]1)C)SCC(=O)N[C]1[CH][CH][C]([CH][C]1C)[N]([O])[O] CCN1[C]([N][N][C]1[C@@H](NC(=O)[C]2[CH][CH][C](C)[CH][CH]2)C(C)C)SCC(=O)N[C]3[CH][CH][C]([CH][C]3C)N([O])[O] InChIKey=UIWUOPKSRCJKIE-QFIPXVFZSA-N InChI=1S/C25H30N6O4S/c1-6-30-23(22(15(2)3)27-24(33)18-9-7-16(4)8-10-18)28-29-25(30)36-14-21(32)26-20-12-11-19(31(34)35)13-17(20)5/h7-13,15,22H,6,14H2,1-5H3,(H,26,32)(H,27,33)/t22-/m0/s1 InChI=1/C25H30N6O4S/c1-6-30-23(22(15(2)3)27-24(33)18-9-7-16(4)8-10-18)28-29-25(30)36-14-21(32)26-20-12-11-19(31(34)35)13-17(20)5/h7-13,15,22H,6,14H2,1-5H3,(H,26,32)(H,27,33)/t22-/m0/s1/f/h26-27H 3746.4478312620 -1987.7535362 1-A 37429.6176 135 469 604 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97686 -20.59502 -20.59453 -20.56738 -20.53535 -15.85048 -15.63899 -15.63355 -15.59549 -15.57706 -15.57545 -11.39162 -11.36233 -11.33064 -11.32130 -11.30444 -11.29293 -11.29177 -11.29170 -11.28569 -11.27077 -11.26834 -11.26686 -11.25832 -11.25471 -11.25440 -11.24940 -11.24878 -11.24568 -11.24146 -11.24139 -11.23872 -11.23390 -11.23339 -11.21884 -11.21723 -8.98653 -6.66939 -6.66795 -6.66576 -1.62806 -1.43660 -1.41874 -1.41096 -1.40288 -1.29422 -1.25384 -1.24240 -1.19538 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1201.37 1207.15 1215.69 1226.03 1239.25 1253.72 1271.64 1289.21 1330.78 1353.32 1355.65 1380.10 1402.61 1403.23 1467.15 1467.96 1478.17 1491.72 1505.63 1505.88 1508.85 1525.73 1565.77 1574.38 1584.12 1590.39 1605.57 1608.32 1619.95 1664.13 1688.84 1689.49 1731.81 1734.12 1748.35 1751.70 1783.61 1803.87 1812.83 1813.43 1836.46 1843.60 1858.15 1872.87 1877.31 1883.94 1898.43 1913.50 1917.60 1922.48 2003.14 2010.39 2018.24 2055.48 2067.96 2103.34 2121.22 2142.11 2146.20 2191.57 2200.53 2235.47 2242.41 2248.96 2255.88 2256.09 2264.49 2267.34 2274.57 2292.18 2302.79 2339.87 2347.02 2348.27 2352.64 2356.10 2356.97 2358.34 2359.20 2362.37 2372.45 2389.99 2401.84 2407.87 2420.11 2431.38 2463.20 2482.03 2521.44 2541.30 2564.85 2602.82 2619.65 2679.79 2755.36 2863.42 4592.20 4599.42 4611.58 4613.63 4626.88 4638.87 4660.91 4685.44 4692.31 4696.86 4700.68 4701.63 4728.15 4728.49 4729.87 4736.50 4738.89 4749.53 4770.14 4780.80 4809.24 4833.52 4835.95 4866.39 4907.57 4936.63 4944.56 5002.23 5573.00 5605.95 0.574174 0.608694 0.609639 0.498732 -1987.179362 -1987.144842 -1987.143898 -1987.254805 3.719839D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE CCn1c(nnc1SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])[C@H](C(C)C)NC(=O)c3ccc(cc3)C C16276407 RHF 6-31G(d) (6D,10F) C1 510.204926 |X|Y|Z| 176.545486 66.618710 42.699061 79.485954 24 6 7 16 18 5 1 |36.858105| |12.496180|36.858105| |7.656860|13.014284|53.358707| |5.585245|7.454941|18.990005|36.858105| |4.316909|5.293324|11.921427|14.855118|53.358707| |4.329983|5.298911|11.893073|8.896873|19.014460|53.358707| |5.650597|7.524753|19.090667|8.916081|12.175392|20.195113|36.858105| |4.999111|5.918734|9.446715|4.953644|6.731268|9.524917|10.818608|388.023441| |3.492037|3.924193|6.480937|4.043548|6.172203|9.132566|7.124778|74.823580|36.858105| |2.965868|3.204596|4.872444|3.089557|4.535747|5.952200|4.686854|49.684716|12.546968|36.858105| |3.017977|3.206851|4.626241|2.869796|4.054055|5.109693|4.230974|47.343216|7.985167|15.964036|73.516695| |2.483830|2.656492|4.053964|2.695136|4.041013|5.115466|3.757844|34.055480|7.948224|13.922294|14.891671|53.358707| |2.143576|2.255900|3.345286|2.250817|3.316844|4.006892|2.957584|25.915235|5.053667|7.610603|11.510236|18.487327|36.858105| |2.083997|2.168279|3.122267|2.075044|2.984388|3.539887|2.692631|24.115094|4.234162|6.319147|11.758517|10.589453|13.681690|36.858105| |1.819735|1.878097|2.677248|1.804365|2.582052|2.987255|2.253019|19.377716|3.247483|4.336419|8.041190|7.004580|7.927504|13.791723|36.858105| |1.665746|1.721503|2.477776|1.698752|2.454447|2.811623|2.076594|17.236429|2.925987|3.697069|6.469304|6.239830|6.918260|7.999539|13.820325|36.858105| |1.693242|1.761638|2.580371|1.788198|2.624748|3.022664|2.186588|17.818622|3.149768|3.896488|6.408092|7.087658|7.951096|6.873170|7.915500|13.767858|36.858105| |1.897431|1.991851|2.968360|2.049188|3.049510|3.596635|2.578178|21.246189|4.014755|5.125165|7.839173|10.811761|13.542235|7.842041|6.810758|7.942232|13.802308|36.858105| |1.876134|1.982543|3.017811|2.131563|3.246458|3.814136|2.632471|20.640863|3.984833|4.544784|6.654363|9.110225|7.465605|4.977901|4.420157|5.038848|7.614735|12.591606|36.858105| |1.486295|1.527275|2.178171|1.504115|2.158388|2.429437|1.793841|14.601775|2.393237|2.892682|5.138712|4.624313|4.529810|5.134296|7.787030|13.120644|7.789203|5.123083|3.852135|53.358707| |1.452786|1.485766|2.094984|1.439665|2.046215|2.291600|1.710104|13.991730|2.233982|2.692528|4.920945|4.137644|3.902756|4.678054|7.075278|8.395205|5.426004|4.082923|3.174476|21.712028|73.516695| |1.393944|1.433338|2.053788|1.432831|2.065325|2.306320|1.684585|13.445631|2.206223|2.591147|4.514727|4.154806|3.907765|4.095973|5.426207|8.390510|7.087439|4.683447|3.797840|21.691252|16.016792|73.516695| |4.920704|5.998242|10.118814|12.599289|10.514720|7.195059|5.271778|25.760012|3.062710|2.485082|4.184949|3.022814|1.910075|1.783749|1.579806|1.497187|1.567259|1.764818|1.833431|1.829230|2.298173|2.287997|36.858105| |5.816264|6.867171|9.632492|8.932557|7.825210|6.088359|4.807930|24.984647|2.871162|2.380663|4.088899|2.871971|1.831264|1.732978|1.539602|1.450629|1.504729|1.682579|1.725981|1.778888|2.248096|2.218067|17.663512|0.500000| |3.980477|4.280453|6.949882|7.520789|8.661869|6.071448|4.165103|21.603856|2.714408|2.241453|3.750572|2.790540|1.782287|1.657589|1.481636|1.418197|1.491853|1.671411|1.754986|1.742484|2.184094|2.193722|12.338796|0.246492|36.858105| |4.344952|4.212504|6.653498|6.332356|7.571155|5.842557|4.108457|21.960675|2.747542|2.284241|3.838883|2.835189|1.813169|1.691456|1.510897|1.442642|1.513828|1.694931|1.770820|1.771601|2.223204|2.226367|7.510388|0.191225|12.430858|36.858105| |3.319239|3.486191|5.178431|4.905385|5.833755|4.509880|3.180261|17.674920|2.240723|1.909036|3.234664|2.401858|1.562133|1.467289|1.327262|1.274838|1.333902|1.475889|1.542935|1.581755|1.991001|1.997688|7.517828|0.191917|12.437194|7.586531|36.858105| |3.858274|4.852102|7.680967|7.889370|8.371659|6.146239|4.412823|22.892517|2.805582|2.316063|3.902637|2.853174|1.819222|1.700347|1.515575|1.442854|1.511238|1.693490|1.764142|1.770308|2.224233|2.220999|13.094698|0.259523|7.696008|4.979716|6.514173|53.358707| |3.727305|4.776034|6.714007|5.754963|6.235206|5.115269|3.884271|21.555633|2.593438|2.194333|3.764487|2.691379|1.734775|1.642499|1.470652|1.393638|1.446769|1.608535|1.655046|1.717529|2.170311|2.149309|7.730325|0.210375|5.213909|3.887077|4.997439|19.117699|36.858105| |4.271114|5.516038|6.866612|5.327463|5.568855|4.785250|3.830160|21.975810|2.550955|2.185019|3.813636|2.648212|1.714079|1.641798|1.470110|1.382799|1.423341|1.576282|1.602116|1.706454|2.168060|2.126089|6.828361|0.224392|4.662639|3.756174|4.510346|11.546814|15.792658|73.516695| |2.922547|3.604464|5.090569|4.206612|5.049996|4.324918|3.199385|18.655703|2.333982|2.014464|3.452210|2.512196|1.637965|1.551626|1.400934|1.336006|1.388203|1.533707|1.582914|1.655481|2.091398|2.080069|5.010073|0.132425|3.952770|3.071486|3.967808|10.678690|12.717495|14.347344|36.858105| |2.724514|3.338645|4.500242|3.477875|4.219304|3.805169|2.888308|17.689643|2.202785|1.941463|3.371903|2.417729|1.591605|1.523723|1.381695|1.312897|1.353984|1.485995|1.517651|1.632910|2.072816|2.046994|3.883537|0.107528|3.137892|2.584616|3.143977|7.097498|7.699285|12.054237|13.686075|36.858105| |2.282422|2.712016|3.695447|2.845107|3.586569|3.294594|2.461213|15.480276|1.982510|1.776407|3.083929|2.243998|1.493982|1.432322|1.310025|1.252224|1.291390|1.407442|1.439784|1.566840|1.989658|1.971810|3.096262|0.084666|2.636593|2.216157|2.671514|5.389972|5.073116|8.103180|7.917797|13.811038|36.858105| |2.069091|2.417038|3.385945|2.673970|3.465564|3.152783|2.294074|14.330585|1.881510|1.685441|2.897941|2.157461|1.440410|1.371517|1.259612|1.214047|1.259698|1.371253|1.416723|1.522824|1.926635|1.927145|2.920353|0.077874|2.580937|2.152882|2.647000|5.098607|4.429943|6.767768|6.794884|7.893390|13.670733|36.858105| |2.153721|2.514606|3.618944|2.967735|3.883850|3.429049|2.440930|14.827641|1.960270|1.731579|2.947174|2.222226|1.473460|1.390913|1.273358|1.231407|1.286129|1.407359|1.468059|1.540059|1.940358|1.953298|3.324236|0.086093|2.984645|2.413038|3.091583|6.060101|5.006220|7.131258|7.911793|6.899302|7.980991|13.730474|36.858105| |2.515412|2.993127|4.371856|3.718014|4.740205|4.024999|2.860718|16.756254|2.175423|1.885538|3.198632|2.393267|1.568413|1.475437|1.339926|1.289986|1.349100|1.487351|1.552543|1.603811|2.018581|2.027752|4.375264|0.110678|3.788190|2.917515|3.907772|8.923911|7.494051|9.410772|13.729039|7.963368|6.901530|7.894173|13.746183|36.858105| |1.784434|2.042960|2.851534|2.221741|2.928428|2.716238|1.971190|12.609379|1.682765|1.531878|2.640304|1.982272|1.338842|1.279138|1.185016|1.147882|1.189275|1.284238|1.325947|1.449509|1.836160|1.840936|2.377407|0.063720|2.158578|1.847507|2.216048|3.947596|3.278850|5.224154|4.416280|5.019833|7.557795|12.615168|7.539927|5.008474|36.858105| |17.566860|8.794102|9.350998|5.808167|6.011951|5.673666|5.044903|29.795923|3.155734|2.675482|4.751346|3.126803|1.994564|1.923923|1.695169|1.568823|1.604175|1.791985|1.792777|1.915384|2.438995|2.361641|5.531925|0.189716|4.666731|5.427214|3.851426|5.546102|3.805968|7.653910|2.938027|2.675747|2.242882|2.057952|2.172444|2.560906|1.771296|0.500000| |17.575161|8.784919|9.385855|5.023037|5.695530|6.074725|5.913218|40.859013|3.902161|3.326182|6.069502|3.724215|2.343761|2.282907|1.974090|1.793591|1.819860|2.050253|2.011739|2.163582|2.760642|2.637642|4.194438|0.128434|3.571328|4.016611|2.958281|4.567052|3.186428|6.240247|2.588354|2.425619|2.074106|1.901703|1.978213|2.278185|1.660446|0.301116|0.500000| |17.560252|8.872082|7.597563|4.372356|4.778474|4.793637|4.418211|29.977132|3.045093|2.688780|4.969165|3.091805|1.997155|1.972027|1.739356|1.587533|1.598448|1.771029|1.735435|1.942740|2.497951|2.376325|4.106918|0.136573|3.403867|3.643440|2.991093|4.647667|3.447773|7.241687|2.764782|2.646745|2.229845|2.001830|2.053415|2.366592|1.737672|0.301350|0.301089|0.500000| |8.796487|17.661047|12.553411|7.010506|6.625910|6.172895|5.756773|32.480858|3.315865|2.770854|4.916806|3.209881|2.034483|1.959351|1.719504|1.588423|1.625332|1.821328|1.822441|1.934776|2.462261|2.383261|6.702602|0.235121|4.499081|4.172485|3.807786|7.749420|6.053204|13.872449|4.273170|3.941524|3.080532|2.689520|2.792056|3.389061|2.230731|0.209995|0.172536|0.212158|0.500000| |8.832369|17.610036|12.576634|5.735460|6.195648|6.670159|7.108218|48.255514|4.192412|3.496777|6.392315|3.851082|2.400876|2.334890|2.007070|1.818297|1.846020|2.088266|2.048100|2.186644|2.788382|2.662170|4.648319|0.140569|3.498915|3.424816|2.943550|5.589185|4.205399|8.537918|3.370961|3.253369|2.683298|2.366874|2.412661|2.804937|2.021028|0.172908|0.210462|0.213243|0.304838|0.500000| |3.427492|3.708127|6.268686|4.095932|6.500786|9.682866|6.766575|56.466081|17.612306|8.862815|10.962776|9.715438|4.737189|3.891767|3.064715|2.828301|3.098164|3.954385|4.096312|3.170967|3.841097|3.860856|3.098094|0.079842|2.833568|2.936112|2.310528|3.779317|2.510438|4.359813|2.245530|2.089392|1.882737|1.805383|1.902280|2.119199|1.616486|0.088534|0.107592|0.081992|0.087433|0.105125|0.500000| |3.200503|3.728977|6.291761|4.099650|6.480257|9.591857|6.761618|56.458642|17.609750|8.865448|10.976430|9.701968|4.734335|3.893589|3.065622|2.827732|3.095690|3.949114|4.085997|3.170555|3.841569|3.859528|3.112607|0.079556|2.738675|2.686299|2.266420|4.002378|2.712799|4.649525|2.482889|2.337813|2.115059|2.018884|2.108638|2.332755|1.803258|0.081421|0.095521|0.078141|0.090274|0.110162|0.303575|0.500000| |2.434873|2.621955|4.104497|2.798346|4.317486|5.504138|3.840347|32.284601|7.874700|9.501092|10.898540|26.102583|9.346866|5.762436|4.289924|4.097174|4.918428|7.622191|8.047665|4.267625|4.934177|5.169499|2.294930|0.059757|2.137944|2.161976|1.828926|2.953980|2.021354|3.493004|1.891394|1.802284|1.675029|1.624136|1.687104|1.819587|1.490721|0.063393|0.073823|0.061315|0.065074|0.076221|0.216841|0.216090|0.500000| |2.259986|2.345949|3.328208|2.169791|3.076736|3.665702|2.866698|26.815238|4.487214|6.972549|15.425872|9.640615|8.915615|17.846442|8.963310|5.686513|4.962122|5.609993|4.065313|5.674807|7.165155|6.054249|1.857982|0.050525|1.709467|1.748189|1.510971|2.400189|1.713557|3.071952|1.608289|1.585796|1.481912|1.407516|1.422431|1.514818|1.307028|0.057213|0.069296|0.059681|0.058407|0.071188|0.111071|0.111203|0.144346|0.500000| |1.758417|1.802828|2.531981|1.700942|2.406200|2.754535|2.099907|18.048975|2.897216|3.762159|7.281156|5.664376|5.641438|8.927111|17.787240|8.945236|5.644419|4.925056|3.540470|9.759490|14.101908|8.815377|1.501902|0.040939|1.407109|1.436417|1.268466|1.963120|1.409088|2.519096|1.343427|1.332453|1.265134|1.212486|1.220065|1.281019|1.143415|0.045410|0.052888|0.047140|0.046011|0.053700|0.075742|0.075785|0.098126|0.215473|0.500000| |1.567667|1.628876|2.388516|1.674979|2.464377|2.799434|2.004127|15.931439|2.771652|3.272216|5.372369|5.728320|5.644286|4.957596|5.656598|8.967563|17.783797|8.937132|7.064110|9.833038|8.861625|14.259052|1.481221|0.039425|1.420968|1.439183|1.277366|1.951871|1.371061|2.389042|1.322394|1.288155|1.234773|1.211498|1.238859|1.293901|1.149208|0.041556|0.046512|0.041157|0.042038|0.047077|0.076753|0.076679|0.115832|0.107773|0.124623|0.500000| |1.971728|2.065889|3.179279|2.257396|3.475755|4.110302|2.796439|21.636919|4.248998|4.657595|6.683415|9.076699|6.594781|4.535412|3.945943|4.304380|5.904362|8.786637|17.521648|4.614571|5.100643|5.920773|1.928461|0.050246|1.862673|1.899778|1.624210|2.494476|1.701322|2.925277|1.612002|1.532166|1.444419|1.422387|1.484318|1.581804|1.323985|0.052641|0.059142|0.050256|0.052435|0.058686|0.128444|0.117879|0.237642|0.106892|0.089980|0.153380|0.500000| |1.923771|2.068169|3.180969|2.257744|3.473344|4.103998|2.795125|21.618882|4.247980|4.654463|6.677688|9.073735|6.593024|4.534677|3.945719|4.304592|5.905195|8.786287|17.521088|4.614999|5.100902|5.921727|1.931750|0.050160|1.834776|1.826159|1.608558|2.555953|1.760579|3.007873|1.693988|1.622981|1.542406|1.520991|1.577407|1.665828|1.421932|0.050980|0.056817|0.049284|0.053004|0.059481|0.118248|0.128071|0.237788|0.106871|0.089975|0.153418|0.300792|0.500000| |1.699853|1.786886|2.697878|1.925526|2.916046|3.344354|2.306276|17.734759|3.256867|3.618362|5.526474|6.631282|5.544709|4.165141|3.981733|4.809644|7.387533|8.883266|17.610689|5.317124|5.623927|7.225381|1.682373|0.044068|1.624639|1.637259|1.442759|2.215609|1.530916|2.631290|1.474505|1.416147|1.352859|1.338481|1.386160|1.455958|1.261664|0.045413|0.050300|0.043940|0.046043|0.051032|0.093213|0.093011|0.153685|0.095820|0.090742|0.228163|0.303184|0.303191|0.500000| |3.448362|3.771825|6.375336|6.966941|9.552952|6.410761|4.103896|21.206001|2.775198|2.274833|3.749530|2.871391|1.828012|1.681276|1.502895|1.448744|1.537250|1.729546|1.841072|1.777094|2.215666|2.246449|8.901319|0.174964|17.542621|8.921645|8.877705|9.520429|4.702541|7.181339|3.809933|3.013819|2.587158|2.590426|3.048262|3.835207|2.180643|0.107719|0.088876|0.082457|0.107435|0.088760|0.081353|0.079078|0.061921|0.047768|0.039427|0.040824|0.054462|0.053771|0.047406|0.500000| |4.931394|4.467076|6.485502|5.624242|6.333406|5.194479|3.872276|21.477568|2.608010|2.204137|3.767624|2.711905|1.746945|1.649566|1.477027|1.402147|1.458549|1.623110|1.674740|1.727309|2.179752|2.163655|6.805624|0.204175|8.762132|17.514140|6.853577|6.270487|3.824425|6.913536|2.985978|2.561308|2.183612|2.091059|2.306308|2.769132|1.797292|0.185100|0.122389|0.116004|0.124493|0.099172|0.076325|0.070004|0.056726|0.047699|0.039254|0.038427|0.049648|0.047752|0.043045|0.173553|0.500000| |3.543483|3.402287|5.248562|4.766529|6.151656|4.951125|3.416735|19.091138|2.467708|2.089201|3.506978|2.636373|1.704452|1.589224|1.431230|1.376290|1.447179|1.610766|1.691963|1.699274|2.130646|2.145707|5.475566|0.140967|8.815725|17.560562|6.998055|5.605151|3.312914|5.648889|2.735084|2.324080|2.033047|2.002843|2.250158|2.669381|1.741410|0.118898|0.093344|0.085442|0.093825|0.079736|0.073813|0.067189|0.056055|0.045322|0.037812|0.038447|0.050547|0.048245|0.043794|0.213411|0.302234|0.500000| |4.673350|4.500370|7.569223|7.084589|8.999319|7.062653|4.867998|25.228044|3.166754|2.575999|4.281574|3.175607|2.003263|1.853792|1.640910|1.563089|1.647083|1.861916|1.950251|1.904950|2.382318|2.388205|6.788575|0.168086|8.722452|17.591103|5.490921|6.230027|3.614794|6.225996|2.895804|2.473496|2.132053|2.065327|2.294028|2.741324|1.783199|0.158320|0.125683|0.104987|0.117001|0.101870|0.096248|0.084767|0.067557|0.053238|0.043107|0.043310|0.058694|0.055748|0.049689|0.213474|0.300450|0.302577|0.500000| |3.001774|3.259488|4.832569|4.535901|5.509996|4.290827|3.007658|16.865495|2.158016|1.846291|3.125841|2.334208|1.522729|1.429755|1.296589|1.248331|1.307178|1.443681|1.512218|1.551673|1.952535|1.963003|6.792715|0.168771|8.723137|5.490556|17.597219|9.902661|5.630712|8.458566|4.656665|3.537436|3.005920|3.033491|3.665357|4.793393|2.495147|0.093376|0.074505|0.076204|0.100558|0.078128|0.061166|0.061481|0.049444|0.040810|0.034423|0.034843|0.043933|0.044053|0.039379|0.212113|0.139549|0.142479|0.122297|0.500000| |2.925625|2.989066|4.436258|4.067523|5.113284|4.067222|2.830553|16.101622|2.084480|1.793530|3.033277|2.280637|1.492983|1.400908|1.273849|1.229785|1.289114|1.421058|1.491677|1.531297|1.925777|1.940789|5.478362|0.141323|8.819090|7.010965|17.552300|6.605051|3.912238|6.382572|3.300090|2.698637|2.361078|2.374448|2.758447|3.349437|2.033696|0.093913|0.074226|0.073842|0.088296|0.071464|0.060314|0.058375|0.048381|0.039882|0.033813|0.034437|0.043762|0.043002|0.038951|0.212371|0.171783|0.213650|0.142604|0.301945|0.500000| |3.528936|3.606940|5.066325|4.529065|5.180033|4.165792|3.047349|17.316636|2.151167|1.852048|3.175725|2.314492|1.512523|1.433536|1.298949|1.241910|1.290664|1.421895|1.472200|1.544517|1.952807|1.945402|6.828356|0.205625|8.764767|6.834992|17.525583|7.923755|4.942696|8.545202|3.844608|3.138041|2.642527|2.562580|2.913230|3.626703|2.151108|0.116078|0.085412|0.090080|0.111964|0.083932|0.061141|0.059842|0.048511|0.041229|0.034653|0.034260|0.042921|0.042456|0.038237|0.173139|0.202405|0.170764|0.139350|0.301860|0.301718|0.500000| |3.363020|4.156219|6.860391|7.076226|8.781781|6.325418|4.272507|22.217063|2.835261|2.329706|3.873028|2.908259|1.850868|1.713442|1.528298|1.464543|1.545359|1.737088|1.830351|1.795095|2.245044|2.260583|9.113480|0.181216|6.860507|4.539064|5.769654|26.049392|9.399696|10.921407|7.436569|4.936247|3.946504|3.910560|4.865766|7.283775|3.030905|0.097382|0.084033|0.082854|0.128008|0.101462|0.078292|0.084289|0.062144|0.048978|0.040207|0.040875|0.052791|0.054542|0.046985|0.201937|0.112232|0.108269|0.119194|0.185284|0.127247|0.135820|0.500000| |2.955331|3.665725|4.713206|3.492801|4.139152|3.805892|2.979080|18.574552|2.254683|1.997744|3.511103|2.459872|1.619791|1.563208|1.414472|1.334509|1.367599|1.499590|1.516931|1.658451|2.113471|2.069662|3.832620|0.110377|3.036126|2.563618|3.004359|6.588155|7.226631|13.536522|8.948036|17.753355|8.920017|5.624101|4.968595|5.668322|4.092105|0.079292|0.072215|0.081127|0.123260|0.100882|0.058915|0.065770|0.050479|0.045539|0.038041|0.035986|0.042507|0.044885|0.039196|0.079466|0.071821|0.063510|0.068545|0.091067|0.071602|0.085264|0.121996|0.500000| |2.150662|2.527465|3.382712|2.542580|3.214857|3.014675|2.276473|14.694505|1.881734|1.710147|2.994162|2.161786|1.450355|1.400958|1.286883|1.227908|1.259464|1.365106|1.386757|1.541943|1.965228|1.938193|2.713598|0.075268|2.331501|2.006758|2.354307|4.516639|4.141210|7.017464|5.641767|8.960433|17.701352|8.902049|5.661919|4.965571|7.019638|0.058192|0.054585|0.059102|0.079003|0.070653|0.049379|0.055526|0.044547|0.040343|0.034672|0.033441|0.038462|0.041179|0.036263|0.063331|0.055364|0.051345|0.053960|0.072179|0.058460|0.065372|0.090995|0.215579|0.500000| |1.968111|2.258711|3.280325|2.704187|3.620051|3.204269|2.248096|13.733819|1.847788|1.640119|2.779822|2.126793|1.416906|1.333501|1.226336|1.193148|1.250401|1.364537|1.432242|1.496798|1.882204|1.906569|3.001641|0.077137|2.801944|2.287007|2.925852|5.261373|4.080252|5.957759|5.643100|4.965401|5.659016|8.917532|17.712045|8.945398|6.978400|0.055446|0.050717|0.052033|0.068519|0.060157|0.050196|0.055241|0.045062|0.037672|0.032598|0.033619|0.040240|0.042737|0.037770|0.080980|0.060235|0.060174|0.060428|0.096304|0.074270|0.075614|0.119630|0.107787|0.124211|0.500000| |2.519735|2.952688|4.429808|3.930134|5.111522|4.197536|2.907531|16.704676|2.193475|1.886273|3.174846|2.406385|1.572427|1.470068|1.334465|1.289617|1.355372|1.497943|1.576120|1.602050|2.010441|2.030632|4.768360|0.115729|4.355425|3.226384|4.564044|9.795966|6.845960|8.609330|8.876097|5.644143|4.967945|5.644553|8.972509|17.722630|4.097669|0.072458|0.063713|0.065038|0.091451|0.075542|0.060209|0.065207|0.051184|0.041763|0.035331|0.036193|0.044911|0.046901|0.041101|0.126515|0.083134|0.082700|0.083159|0.163684|0.108531|0.112074|0.243712|0.124223|0.107757|0.217901|0.500000| |1.744909|2.004960|2.805190|2.159714|2.872517|2.705971|1.965490|12.727527|1.711488|1.566969|2.700993|2.033632|1.377047|1.316179|1.220527|1.182941|1.225348|1.321954|1.363098|1.493873|1.891781|1.897154|2.258787|0.060399|2.039913|1.763885|2.056377|3.697731|3.039816|4.891503|3.968043|4.567731|6.611844|8.856988|5.961107|4.332917|17.541305|0.047714|0.045402|0.047191|0.060210|0.055750|0.045382|0.051250|0.042442|0.037313|0.032704|0.032890|0.037596|0.040768|0.036041|0.057488|0.047604|0.046114|0.047774|0.063421|0.052565|0.055383|0.079211|0.107179|0.184985|0.155031|0.100610|0.500000| 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