Version2.3 2021-04-01T08:36:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(c(c(c1)C)n2c(=O)c(c([nH]c2=O)[O-])[C@H]3c4cc(c(cc4CC[NH2+]3)OC)OC)C C18176879 RHF 6-31G(d) (6D,7F) Cc1cc(c(c(c1)C)n2c(=O)c(c([nH]c2=O)[O-])[C@H]3c4cc(c(cc4CC[NH2+]3)OC)OC)C C01[X(C24H27N3O5)] 171 C1 534 COc1cc2c(cc1OC)CC[NH2+][C@H]2c1c([O-])[nH]c(=O)n(c1=O)c1c(C)cc(cc1C)C COc1cc2c(cc1OC)CC[NH2+][C@H]2c1c([O-])[nH]c(=O)n(c1=O)c1c(C)cc(cc1C)C COc1cc2CC[NH2+][C@H](c2cc1OC)C3=C([O-])NC(=O)N(C3=O)c4c(C)cc(C)cc4C InChIKey=IPNWIKZPNYQBMP-HXUWFJFHSA-N InChI=1S/C24H27N3O5/c1-12-8-13(2)21(14(3)9-12)27-23(29)19(22(28)26-24(27)30)20-16-11-18(32-5)17(31-4)10-15(16)6-7-25-20/h8-11,20,25,28H,6-7H2,1-5H3,(H,26,30)/t20-/m1/s1 InChI=1/C24H27N3O5/c1-12-8-13(2)21(14(3)9-12)27-23(29)19(22(28)26-24(27)30)20-16-11-18(32-5)17(31-4)10-15(16)6-7-25-20/h8-11,20,25,28H,6-7H2,1-5H3,(H,26,30)/t20-/m1/s1/f/h28h,25-26H Cc1cc(c(c(c1)C)n2c(=O)c(c([nH]c2=O)[O-])[C@H]3c4cc(c(cc4CC[NH2+]3)OC)OC)C C01[X(C24H27N3O5)] 171 C01 534 COc1cc2c(cc1OC)CC[NH2+][C@H]2c1c([O-])[nH]c(=O)n(c1=O)c1c(C)cc(cc1C)C CO[C]1[CH][C]2[C]([CH][C]1OC)CC[NH2][C@H]2[C]1[C](=O)NC(=O)N([C]1[O])[C]1[C]([CH][C]([CH][C]1C)C)C CO[C]1[CH][C]2CC[NH2][C@H]([C]2[CH][C]1OC)[C]3[C]([O])N([C]4[C](C)[CH][C](C)[CH][C]4C)C(=O)NC3=O InChIKey=PGCKJFAVOUXLTF-HXUWFJFHSA-N InChI=1S/C24H27N3O5/c1-12-8-13(2)21(14(3)9-12)27-23(29)19(22(28)26-24(27)30)20-16-11-18(32-5)17(31-4)10-15(16)6-7-25-20/h8-11,20H,6-7,25H2,1-5H3,(H,26,28,30)/t20-/m1/s1 InChI=1/C24H27N3O5/c1-12-8-13(2)21(14(3)9-12)27-23(29)19(22(28)26-24(27)30)20-16-11-18(32-5)17(31-4)10-15(16)6-7-25-20/h8-11,20H,6-7,25H2,1-5H3,(H,26,28,30)/t20-/m1/s1/f/h26H 3363.2085699051 -1462.2546383 1-A 14835.2195 116 418 534 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19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 6 6 6 6 6 6 6 6 7 6 8 6 6 7 1 6 8 8 6 1 6 6 6 6 6 6 6 6 7 1 1 8 6 8 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 15.99491 12.00000 15.99491 12.00000 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 8458.5499 21642.3769 22467.1138 0.99999 0.00492 -0.00085 -0.00488 0.99903 0.04368 0.00106 -0.04367 0.99905 1 0.01024 0.00400 0.00386 0.21336 0.08339 0.08033 22.36 29.87 33.80 39.53 64.37 72.57 82.06 103.89 116.35 138.97 180.12 199.02 217.14 236.04 240.47 243.01 258.67 279.04 286.83 289.85 312.29 335.25 347.98 365.64 377.89 419.17 425.20 445.39 473.77 488.24 502.05 548.88 577.07 620.69 631.15 644.10 659.33 676.75 714.30 718.18 741.00 789.18 814.15 832.64 841.34 851.13 871.34 882.22 904.60 918.96 964.47 981.75 986.85 1065.79 1087.31 1097.61 1121.00 1145.07 1184.26 1204.88 1212.92 1232.60 1266.66 1280.74 1371.58 1382.92 1397.18 1417.12 1427.19 1443.22 1452.46 1469.86 1472.85 1504.96 1540.19 1583.62 1620.68 1636.99 1639.11 1656.88 1666.59 1680.21 1684.55 1685.31 1715.57 1726.99 1778.36 1793.14 1811.25 1836.05 1853.34 1860.52 1862.74 1884.26 1900.21 1920.31 1921.60 1938.58 1957.17 1970.12 1999.98 2011.47 2030.13 2048.10 2068.71 2075.32 2116.64 2148.47 2166.63 2211.20 2215.98 2243.60 2249.20 2252.77 2255.87 2269.09 2274.88 2300.16 2318.82 2332.01 2347.00 2349.58 2352.85 2353.96 2354.32 2356.35 2359.07 2359.19 2372.36 2375.88 2376.15 2380.35 2387.19 2388.52 2405.07 2460.48 2553.80 2578.67 2583.82 2607.88 2615.65 2667.07 2719.16 2831.95 4605.97 4609.19 4613.19 4619.11 4621.74 4622.39 4677.93 4685.62 4693.84 4696.49 4702.63 4708.08 4715.59 4715.65 4717.88 4724.74 4726.52 4761.34 4785.86 4792.11 4793.83 4820.29 4823.46 4877.69 4928.66 5377.70 5567.06 0.522317 0.550748 0.551692 0.460542 -1461.732321 -1461.703891 -1461.702946 -1461.794097 3.057220D-04 MUNgauss RevisionA2.1 retrievium 01-Apr-2021 DUDE Cc1cc(c(c(c1)C)n2c(=O)c(c([nH]c2=O)[O-])[C@H]3c4cc(c(cc4CC[NH2+]3)OC)OC)C C18176879 RHF 6-31G(d) (6D,10F) C1 437.195071 |X|Y|Z| 52.026313 47.882862 99.174835 62.748239 22 6 7 19 3 |36.858105| |12.606897|36.858105| |7.559580|13.738829|36.858105| |5.005007|7.864375|13.729307|36.858105| |4.444356|6.863655|7.990044|13.719063|36.858105| |5.005631|7.867139|6.868132|7.862454|13.721572|36.858105| |7.558963|13.738175|7.996402|6.864654|7.988074|13.730878|36.858105| |3.785560|5.011562|4.447627|5.001471|7.546434|12.619820|7.574634|36.858105| |3.326046|4.517753|5.144618|7.805777|13.218060|7.800317|5.142496|6.627047|53.358707| |2.917679|3.774537|4.231552|5.843682|7.780326|5.751052|4.196076|5.398070|18.547084|36.858105| |3.080112|3.969349|4.402282|5.761585|7.078082|5.651898|4.352829|5.111058|11.465379|15.433750|73.516695| |2.408557|2.969531|3.269441|4.216655|5.114040|4.180597|3.252618|4.243544|10.781009|13.552925|14.554005|36.858105| |2.231936|2.711943|2.966136|3.757648|4.483381|3.751053|2.962859|3.893085|9.234502|7.734242|9.393906|13.458043|36.858105| |2.435334|3.006198|3.296124|4.253530|5.228610|4.289535|3.312474|4.391751|11.161497|6.982630|8.551016|8.079658|13.714271|53.358707| |2.253581|2.719843|2.949318|3.661752|4.307614|3.696228|2.966965|3.821484|8.069985|5.114334|6.832274|5.844494|9.323110|26.010923|0.500000| |2.937251|3.797903|4.225081|5.804387|7.873163|5.888545|4.256555|5.590625|18.754815|7.798907|9.568636|6.770703|7.709041|18.975609|0.263339|36.858105| |3.067206|3.930244|4.300558|5.575596|6.997307|5.716790|4.363318|5.291667|11.430252|5.377924|7.477570|4.750486|5.374736|11.577251|0.217925|15.916268|73.516695| |1.955213|2.313825|2.503804|3.050861|3.490057|3.040361|2.498048|3.188085|6.453297|5.285978|7.256204|8.104140|15.687272|11.548576|0.217315|5.388733|7.554756|73.516695| |2.130789|2.542636|2.765537|3.378873|3.839919|3.319584|2.733110|3.387506|6.853791|7.579388|11.898620|12.694519|7.599281|6.931470|0.116597|4.417459|6.147924|11.775584|36.858105| |1.930198|2.267599|2.432736|2.909292|3.293178|2.929783|2.444362|3.069337|5.760470|5.657752|8.801532|9.046991|7.425856|6.593984|0.116000|3.989525|5.696565|13.687515|17.610687|0.500000| |2.041140|2.399090|2.669845|3.220463|3.414547|2.906733|2.485447|2.832443|5.711407|5.771688|9.983004|7.388769|5.465072|5.585259|0.097907|3.706885|5.380499|9.049169|12.491594|0.248094|36.858105| |1.954702|2.283321|2.582699|3.124391|3.212946|2.692488|2.325964|2.584785|5.368610|4.928327|8.002697|6.222560|5.444270|5.713192|0.103001|3.695214|5.448724|9.499651|7.638632|0.187295|13.559387|36.858105| |1.834164|2.102352|2.387826|2.807899|2.779358|2.359557|2.097500|2.234831|4.395733|3.808871|6.493184|4.356599|3.971902|4.530482|0.084430|3.046340|4.681093|7.032824|5.045353|0.128936|7.876526|13.914600|36.858105| |1.790310|2.026095|2.282451|2.617134|2.564585|2.219137|2.007698|2.096813|3.910091|3.401828|6.152021|3.701401|3.259939|3.804579|0.070927|2.641091|4.116292|5.686123|4.414407|0.111411|6.820826|7.927941|13.460969|36.858105| |1.852831|2.102157|2.338590|2.670022|2.660796|2.331174|2.104050|2.219694|4.035490|3.642949|6.910204|3.912012|3.271181|3.771593|0.069316|2.646894|4.088661|5.601653|4.971863|0.121318|7.946029|6.923942|7.934757|13.906899|36.858105| |1.977631|2.283927|2.520285|2.937744|3.037426|2.655004|2.337510|2.567929|4.758486|4.597554|8.845882|5.121126|3.973683|4.388115|0.078734|3.046414|4.578462|6.657176|7.446956|0.167191|13.883020|7.943855|6.824229|7.869106|13.556334|36.858105| |1.988640|2.278862|2.446573|2.782375|2.931992|2.663393|2.365611|2.626087|4.452941|4.282260|8.839343|4.514217|3.485599|3.950044|0.071086|2.804216|4.262093|5.790387|6.321889|0.146578|7.566173|5.010765|4.426346|5.026869|7.568833|12.593606|36.858105| |1.960323|2.258543|2.372145|2.708224|2.980861|2.775729|2.416144|2.863951|4.644258|4.532505|9.005643|5.031951|3.849067|4.249284|0.076182|2.955240|4.445705|6.437385|7.502896|0.183530|6.729422|4.523114|3.763294|3.901761|5.054496|7.634731|12.546860|36.858105| |2.183944|2.589393|2.734096|3.235146|3.729001|3.404572|2.832070|3.567735|6.178396|6.682853|12.806182|7.856057|5.245381|5.522630|0.095104|3.804772|5.486193|8.208694|12.579426|0.252631|7.687688|5.048442|3.891534|3.751531|4.521435|6.779863|7.844814|12.871364|53.358707| |2.458803|2.970654|3.148460|3.770188|4.405210|3.979316|3.264728|4.058488|7.157005|8.286470|19.366052|7.862094|5.026746|5.609685|0.094995|4.097347|5.873598|7.463630|9.422679|0.183802|6.827185|4.721363|3.739460|3.645569|4.378965|6.298844|7.316247|9.130007|25.207024|0.500000| |2.141231|2.530825|2.615087|3.061253|3.624808|3.432702|2.831043|3.790907|6.010110|6.099652|10.969083|7.208419|5.246412|5.596126|0.097246|3.812677|5.532341|8.320253|9.285640|0.232958|5.734588|4.222251|3.329515|3.170446|3.675877|5.043049|5.735314|9.188910|25.761346|0.324568|0.500000| |1.662844|1.850375|2.078828|2.329678|2.245025|1.966611|1.812230|1.851429|3.336338|2.791148|5.051216|2.962904|2.700171|3.259088|0.061903|2.288758|3.652822|4.753452|3.369541|0.087393|4.608561|5.304058|8.154361|14.182129|7.909441|5.174738|3.867721|3.112714|4.049145|0.081184|0.072067|73.516695| |1.593734|1.749530|1.943835|2.131670|2.048756|1.826146|1.707103|1.721447|2.977613|2.474511|4.588148|2.567858|2.324747|2.843701|0.054140|2.026707|3.268192|4.069689|2.914033|0.075726|3.791674|3.994506|5.241501|8.042480|6.744831|4.504497|3.690746|2.924938|3.685609|0.074484|0.066099|24.237301|36.858105| |1.726864|1.957800|2.227020|2.584914|2.519666|2.151043|1.935313|2.031334|3.920732|3.217058|5.398449|3.605094|3.509454|4.185919|0.080472|2.815314|4.444564|6.360924|3.889036|0.103360|5.180286|7.920713|14.193121|8.159659|5.307680|4.611227|3.376258|2.986502|4.224168|0.083632|0.076567|13.126315|4.792191|73.516695| |1.717227|1.953774|2.220313|2.597679|2.554980|2.173977|1.941882|2.064378|4.041849|3.206611|5.174205|3.659561|3.821024|4.638735|0.091533|3.032647|4.822070|7.129426|3.726899|0.101765|4.513354|6.764293|8.044735|5.240693|3.996443|3.795209|2.925625|2.718227|3.975430|0.078571|0.073918|8.511382|3.546199|24.175831|36.858105| |3.784890|5.009936|7.571296|12.619034|7.545338|5.001355|4.446063|3.774313|9.029564|5.564605|9.403372|4.324998|3.908496|5.867521|0.103933|5.439909|8.995132|5.712727|3.524946|0.083946|3.561433|3.635903|3.329976|3.036825|2.992460|3.205078|2.883879|2.717701|4.353315|0.101032|0.081920|4.806888|2.418071|5.517218|3.122392|36.858105| |17.528910|8.850059|6.278124|4.446913|3.994264|4.443624|6.267985|3.491612|4.193450|2.666222|4.872141|2.245774|2.126075|3.198463|0.061293|2.825103|5.394180|3.337199|1.980665|0.050364|1.896353|1.838615|1.730397|1.677076|1.718162|1.824321|1.818982|1.801497|2.728725|0.061830|0.054908|2.785357|1.497366|2.928032|1.653865|3.494087|0.500000| |17.566676|8.832386|5.644694|4.188057|3.972842|4.701175|7.101219|3.767950|4.173744|2.752296|5.225159|2.293364|2.117130|3.107774|0.058777|2.708978|4.971123|3.317533|2.053815|0.051927|1.952691|1.849947|1.732587|1.702312|1.777944|1.906145|1.947701|1.936991|2.916280|0.066900|0.058830|2.809508|1.524598|2.887111|1.609153|3.245566|0.302085|0.500000| |17.567272|8.833085|7.095480|4.699147|3.973169|4.190336|5.648041|3.247350|4.174321|2.760409|5.247942|2.298151|2.118049|3.101922|0.058631|2.702345|4.946830|3.320684|2.064505|0.051833|2.015477|1.937669|1.841995|1.815184|1.875262|1.975944|1.981353|1.921065|2.873764|0.065950|0.056872|3.020968|1.639398|3.090496|1.714400|3.765809|0.302089|0.301548|0.500000| |7.023629|8.934506|17.697538|8.950619|5.672482|4.947929|5.671090|3.554368|5.679236|3.600568|6.680012|2.899117|2.658264|3.962011|0.073580|3.582015|6.510289|4.070587|2.519167|0.062017|2.499351|2.455624|2.324975|2.242324|2.272435|2.392169|2.303432|2.194752|3.365948|0.077992|0.065227|3.690243|1.952890|3.905147|2.178530|7.058743|0.168901|0.143469|0.213465|0.500000| |7.022012|8.933223|5.670787|4.946016|5.671266|8.948750|17.696176|7.060854|5.676590|3.561638|6.582526|2.878233|2.654110|3.989614|0.074221|3.616559|6.634646|4.056728|2.475745|0.062463|2.243874|2.093603|1.897899|1.828647|1.922892|2.130022|2.186098|2.257739|3.546357|0.082172|0.073433|2.952716|1.576674|3.123902|1.762483|3.553314|0.168447|0.213803|0.143576|0.124500|0.500000| |3.330079|4.282841|3.979564|4.588338|6.728614|8.844853|5.870087|17.554247|9.174961|6.280386|10.846970|4.907330|4.263050|6.141714|0.106421|5.378733|8.352021|6.147983|3.941321|0.098033|3.171039|2.803062|2.384386|2.246057|2.418666|2.868162|2.993506|3.366328|5.916225|0.139916|0.131940|3.480231|1.819695|3.786673|2.143658|3.638486|0.084300|0.092770|0.082006|0.090558|0.152417|0.500000| |3.833948|4.777616|3.992929|4.169341|5.579137|8.874181|7.321573|17.582914|6.576632|4.187760|7.362516|3.458573|3.213835|4.827147|0.088748|4.283570|7.513509|4.856163|2.903830|0.074288|2.479153|2.268516|1.995308|1.895655|2.010457|2.296255|2.382630|2.593617|4.238705|0.096910|0.092299|3.009534|1.591167|3.246774|1.848370|3.217151|0.098741|0.110678|0.089914|0.090807|0.227147|0.301750|0.500000| |3.358505|4.307929|3.984730|4.571820|6.666643|8.853172|5.924727|17.560902|8.978967|5.104416|7.974735|4.269553|4.193426|6.834726|0.123775|6.456735|11.381260|6.108514|3.325902|0.085687|2.758969|2.571413|2.212634|2.043728|2.132455|2.454314|2.461071|2.696817|4.578101|0.102564|0.100261|3.215406|1.668594|3.615165|2.102545|3.618775|0.089177|0.091308|0.080863|0.090655|0.154452|0.301433|0.301821|0.500000| |1.953925|2.294203|2.592361|3.173095|3.314878|2.759592|2.355246|2.672367|5.735385|5.059021|7.650263|6.812223|6.804564|6.860679|0.124556|4.170688|6.073036|12.424262|7.241186|0.191457|8.929949|17.782536|8.978526|5.634015|4.983847|5.675634|4.098224|3.968700|6.321547|0.120645|0.113500|7.600852|3.332021|12.612048|7.550010|3.692738|0.051502|0.051194|0.053344|0.068001|0.058821|0.079767|0.064636|0.075438|0.500000| |1.784999|1.996876|2.198745|2.452942|2.428054|2.167079|1.988755|2.064657|3.585047|3.166155|6.141197|3.299724|2.796658|3.301017|0.061202|2.350841|3.687798|4.794704|4.061151|0.101188|5.671060|4.980922|5.635719|8.979393|17.747933|8.915230|7.105033|4.646720|5.394392|0.108146|0.091634|12.606458|7.526984|7.604185|3.332425|2.701524|0.045882|0.047872|0.050506|0.059805|0.050902|0.062300|0.052601|0.054735|0.108092|0.500000| |1.815798|2.042998|2.175656|2.422529|2.520295|2.325882|2.105810|2.301638|3.754092|3.443109|6.921391|3.626895|2.956142|3.414842|0.062637|2.421421|3.752980|5.039179|4.814224|0.120474|5.707882|4.238536|3.989132|4.743430|7.116031|8.868848|17.565307|8.951730|7.708334|0.145879|0.127257|6.810751|3.837600|5.577206|2.696547|2.512331|0.046358|0.049635|0.050518|0.057574|0.054664|0.071879|0.058944|0.060240|0.097846|0.214173|0.500000| |2.175502|2.499984|2.684459|3.026565|3.156616|2.875619|2.578871|2.779836|4.639208|4.440151|9.903367|4.316376|3.301416|3.866618|0.069214|2.837356|4.337254|5.336640|5.451700|0.123458|6.166548|4.395456|3.967375|4.496848|6.399536|8.852147|17.518633|8.902687|9.468626|0.212325|0.146355|6.389342|3.504874|5.535933|2.722542|3.090226|0.054590|0.059305|0.060539|0.070107|0.065895|0.088014|0.070240|0.070910|0.102474|0.176318|0.303246|0.500000| |1.782896|2.035210|2.134846|2.426696|2.658990|2.483191|2.172213|2.588218|4.176174|3.931735|7.339626|4.604694|3.748654|4.081035|0.074508|2.760100|4.186003|6.588528|6.961313|0.198044|6.323997|4.482243|3.746222|3.830101|4.795289|6.790239|8.802121|17.604002|12.442001|0.179202|0.217266|5.476719|2.875783|5.339351|2.750053|2.461695|0.045982|0.048892|0.048501|0.055236|0.056752|0.083226|0.065520|0.069122|0.110712|0.121804|0.215803|0.173629|0.500000| |1.955469|2.231161|2.297455|2.568827|2.838617|2.727399|2.406580|2.855190|4.284017|4.026373|8.196975|4.226309|3.342939|3.834427|0.069397|2.723323|4.166929|5.573314|5.536475|0.140365|4.918893|3.616411|3.120203|3.261807|4.105515|5.528018|8.775164|17.603778|12.429423|0.215715|0.225762|4.814480|2.610275|4.556998|2.359352|2.514850|0.049737|0.054329|0.053119|0.058940|0.063365|0.093920|0.073208|0.073666|0.090670|0.110208|0.209003|0.217173|0.300323|0.500000| |1.697066|1.860550|2.075191|2.260856|2.149684|1.914616|1.801559|1.786700|3.079109|2.562484|4.855420|2.592766|2.308224|2.847718|0.053826|2.062700|3.328186|3.969042|2.912260|0.074160|3.754291|3.811951|4.759834|7.075128|6.748448|4.579064|3.868155|2.987146|3.765293|0.077680|0.067117|16.448407|17.553589|7.527328|3.242066|2.562236|0.043994|0.045070|0.048830|0.058213|0.046096|0.052446|0.045925|0.047683|0.088436|0.225397|0.111043|0.106145|0.079475|0.074817|0.500000| |1.518113|1.662966|1.824835|1.995883|1.947531|1.755843|1.638614|1.676200|2.841613|2.379398|4.423963|2.497912|2.258553|2.737248|0.052187|1.936863|3.117703|3.992045|2.899804|0.076464|3.731648|3.790078|4.734645|7.035974|6.731817|4.563156|3.866342|3.058856|3.731817|0.074215|0.067101|16.444083|17.550019|7.504474|3.231249|2.219813|0.039614|0.040628|0.043174|0.050533|0.042317|0.049535|0.043202|0.045120|0.088042|0.226738|0.116861|0.099288|0.084994|0.075968|0.298836|0.500000| |1.505332|1.637694|1.816294|1.972235|1.884043|1.687650|1.589907|1.589759|2.716589|2.213369|4.064638|2.287479|2.111344|2.620100|0.050387|1.871496|3.053303|3.716915|2.537531|0.066733|3.183520|3.419158|4.407366|5.897394|4.915312|3.611296|3.052553|2.511982|3.209846|0.065007|0.058504|17.026254|17.649272|7.771312|3.341674|2.238147|0.039518|0.039957|0.043127|0.051081|0.040924|0.046304|0.041012|0.042986|0.082127|0.146795|0.087800|0.081434|0.069027|0.063178|0.299880|0.299997|0.500000| |1.645933|1.872692|2.096960|2.450353|2.470984|2.129254|1.888012|2.062103|3.971327|3.177823|5.061960|3.777961|4.086605|4.804469|0.096065|3.027783|4.781332|8.099188|3.919272|0.111935|4.585451|6.769084|7.060374|4.746622|3.806595|3.752718|2.925852|2.798758|4.103593|0.079233|0.077217|7.504212|3.232575|16.429240|17.566533|2.855755|0.044094|0.043127|0.045320|0.056547|0.047915|0.059881|0.051305|0.058792|0.227823|0.088326|0.075062|0.074283|0.080400|0.067143|0.081776|0.084688|0.084108|0.500000| |1.875421|2.160209|2.492900|2.978271|2.906152|2.417023|2.139922|2.264563|4.659785|3.619725|5.697745|4.075885|4.326531|5.398374|0.105811|3.542626|5.600555|7.766739|3.908814|0.103957|4.583112|6.764021|7.066833|4.753065|3.804484|3.745923|2.918355|2.732421|4.121598|0.082977|0.076745|7.523087|3.243124|16.436938|17.564210|3.694398|0.050225|0.048410|0.051859|0.067730|0.053388|0.064829|0.055750|0.064361|0.226304|0.088274|0.073341|0.076836|0.075375|0.066126|0.085268|0.081705|0.084448|0.299141|0.500000| |1.615823|1.815528|2.055028|2.359169|2.294742|1.977065|1.791200|1.874702|3.541946|2.745483|4.490072|3.047928|3.196353|4.016969|0.080768|2.676560|4.366443|5.957323|3.077159|0.084540|3.616774|4.925518|5.899735|4.407054|3.420119|3.185647|2.544551|2.367309|3.413229|0.067890|0.064236|7.765176|3.342017|17.014676|17.649445|2.818603|0.043496|0.042045|0.044985|0.056626|0.045407|0.053594|0.047072|0.053099|0.147113|0.082128|0.066288|0.066488|0.066586|0.058054|0.084355|0.084166|0.090732|0.299731|0.299798|0.500000| |3.342390|4.295864|5.901074|8.847844|6.688275|4.577137|3.980855|3.625112|9.065647|6.480455|11.361555|4.984431|4.237139|5.948776|0.103072|5.175371|7.973672|6.151545|4.140481|0.095365|4.349210|4.396274|3.981061|3.630420|3.603025|3.894502|3.405048|3.121877|5.026554|0.118290|0.091635|5.582528|2.769905|6.349800|3.481056|17.563299|0.084587|0.082224|0.093244|0.153638|0.090582|0.101407|0.085670|0.095484|0.120056|0.088648|0.080803|0.102054|0.077540|0.078768|0.082171|0.070164|0.069964|0.087631|0.114264|0.085241|0.500000| |3.344847|4.292583|5.890021|8.849534|6.704446|4.582494|3.980999|3.631823|9.104318|5.316594|8.274479|4.406729|4.259087|6.735681|0.121133|6.286850|10.701070|6.221734|3.493743|0.084998|3.488335|3.706950|3.364486|2.960792|2.847731|3.044494|2.695913|2.585225|4.166020|0.093923|0.079430|4.701573|2.328473|5.726895|3.379816|17.556504|0.088810|0.080628|0.090847|0.153153|0.090583|0.096437|0.085623|0.101029|0.109105|0.070704|0.065634|0.078177|0.066264|0.066002|0.067263|0.059493|0.060318|0.085863|0.114735|0.084759|0.301392|0.500000| 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