Version2.1 2021-01-15T14:38:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(cc(c1)N2[C@H](N=C([C@@H](C2=O)[C@@H]3[C@@H]4C(=c5cc(ccc5=[NH+]4)OC)CCN3)O)O)C C64062064 RHF 6-31G(d) (6D,7F) Cc1cc(cc(c1)N2[C@H](N=C([C@@H](C2=O)[C@@H]3[C@@H]4C(=c5cc(ccc5=[NH+]4)OC)CCN3)O)O)C C01[X(C24H27N4O4)] 171 C1 534 COc1ccc2=[NH+][C@H]3C(=c2c1)CCN[C@@H]3[C@H]1C(=N[C@@H](N(C1=O)c1cc(C)cc(c1)C)O)O COc1ccc2=[NH+][C@H]3C(=c2c1)CCN[C@@H]3[C@H]1C(=N[C@@H](N(C1=O)c1cc(C)cc(c1)C)O)O COC1=CC2=C3CCN[C@@H]([C@H]3[NH+]=C2C=C1)[C@H]4C(=N[C@H](O)N(C4=O)c5cc(C)cc(C)c5)O InChIKey=JCPYUAKIRQIVMD-JCUDRXCFSA-O InChI=1S/C24H26N4O4/c1-12-8-13(2)10-14(9-12)28-23(30)19(22(29)27-24(28)31)21-20-16(6-7-25-21)17-11-15(32-3)4-5-18(17)26-20/h4-5,8-11,19-21,24-25,31H,6-7H2,1-3H3,(H,27,29)/p+1/t19-,20-,21+,24-/m0/s1 InChI=1/C24H26N4O4/c1-12-8-13(2)10-14(9-12)28-23(30)19(22(29)27-24(28)31)21-20-16(6-7-25-21)17-11-15(32-3)4-5-18(17)26-20/h4-5,8-11,19-21,24-25,31H,6-7H2,1-3H3,(H,27,29)/p+1/t19-,20-,21+,24-/m0/s1/fC24H27N4O4/h26,29H/q+1 Cc1cc(cc(c1)N2[C@H](N=C([C@@H](C2=O)[C@@H]3[C@@H]4C(=c5cc(ccc5=[NH+]4)OC)CCN3)O)O)C C01[X(C24H27N4O4)] 171 C01 534 COc1ccc2=[NH+][C@H]3C(=c2c1)CCN[C@@H]3[C@H]1C(=N[C@@H](N(C1=O)c1cc(C)cc(c1)C)O)O CO[C]1[CH]=[CH][C]2[C]([CH]=1)=C1CCN[C@@H]([C@H]1[NH]2)[C@H]1C(=N[C@@H](N(C1=O)[C]1[CH][C]([CH][C]([CH]1)C)C)O)O COC1=CC2=C3CCN[C@@H]([C@H]3N[C]2C=C1)[C@H]4C(=N[C@H](O)N([C]5[CH][C](C)[CH][C](C)[CH]5)C4=O)O InChIKey=OCTBVCGSFJVBAY-JCUDRXCFSA-N InChI=1S/C24H27N4O4/c1-12-8-13(2)10-14(9-12)28-23(30)19(22(29)27-24(28)31)21-20-16(6-7-25-21)17-11-15(32-3)4-5-18(17)26-20/h4-5,8-11,19-21,24-26,31H,6-7H2,1-3H3,(H,27,29)/t19-,20-,21+,24-/m0/s1 InChI=1/C24H27N4O4/c1-12-8-13(2)10-14(9-12)28-23(30)19(22(29)27-24(28)31)21-20-16(6-7-25-21)17-11-15(32-3)4-5-18(17)26-20/h4-5,8-11,19-21,24-26,31H,6-7H2,1-3H3,(H,27,29)/t19-,20-,21+,24-/m0/s1/f/h29H 3204.0718924948 -1441.6086762 1-A 19386.5780 115 419 534 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.71683 -20.71226 -20.66144 -20.62718 -15.76676 -15.68540 -15.66685 -15.64754 -11.47628 -11.46014 -11.45644 -11.44571 -11.44022 -11.42877 -11.41915 -11.41170 -11.40126 -11.39249 -11.38776 -11.38595 -11.37724 -11.37384 -11.37356 -11.36628 -11.34213 -11.30516 -11.30467 -11.29429 -11.29257 -11.28781 -11.28007 -11.27887 -1.55365 -1.54520 -1.50694 -1.48613 -1.47291 -1.36569 -1.35529 -1.31361 -1.29288 -1.24976 -1.22205 -1.19859 -1.16439 -1.15837 -1.12991 -1.12242 -1.09673 -1.08041 -1.04005 -1.01135 -1.00253 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7 8 9 10 11 12 13 14 15 16 17 18 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 7 6 1 7 6 6 1 6 8 6 1 6 1 6 6 6 6 6 6 6 7 1 8 6 6 6 7 8 8 6 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 14.00307 12.00000 1.00783 14.00307 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 15.99491 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 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 6155.1978 31675.3692 32002.3610 0.99999 0.00187 0.00406 -0.00096 0.97698 -0.21333 -0.00437 0.21333 0.97697 1 0.01407 0.00273 0.00271 0.29321 0.05698 0.05639 19.61 27.88 32.54 38.49 43.66 58.63 76.06 89.11 112.87 137.41 147.65 169.16 209.63 219.03 239.02 259.22 274.43 293.99 315.15 360.16 368.67 385.97 394.64 404.52 441.29 456.05 467.95 523.02 530.47 553.66 578.82 635.34 642.69 663.70 696.28 705.38 742.87 765.38 768.67 796.74 803.37 817.90 826.68 833.49 837.66 873.02 885.66 905.94 907.12 964.86 983.92 1014.72 1036.43 1046.81 1064.43 1129.46 1137.94 1166.95 1205.01 1257.68 1274.77 1321.24 1338.20 1342.84 1372.62 1377.33 1390.10 1403.24 1437.81 1440.55 1466.65 1480.82 1488.30 1543.74 1549.30 1555.92 1578.30 1599.31 1630.90 1635.32 1648.44 1662.73 1675.06 1687.71 1691.90 1696.87 1708.56 1732.06 1754.23 1799.21 1808.01 1815.19 1837.77 1841.43 1854.11 1861.02 1893.54 1909.35 1912.46 1939.16 1944.49 1963.14 1985.35 2010.42 2028.16 2034.63 2055.55 2071.18 2077.03 2083.70 2099.00 2108.44 2120.10 2136.29 2184.86 2202.93 2223.07 2227.45 2254.60 2258.83 2262.07 2272.64 2287.44 2294.26 2315.38 2328.57 2345.39 2346.15 2347.74 2364.16 2369.52 2370.67 2377.19 2380.58 2385.42 2391.30 2404.53 2518.35 2568.25 2591.81 2608.34 2670.02 2788.28 2828.46 4570.19 4605.84 4615.57 4617.14 4632.87 4636.76 4650.47 4693.91 4697.97 4726.74 4733.90 4739.29 4742.37 4745.33 4767.17 4781.11 4826.70 4838.65 4848.63 4871.32 4891.30 4912.51 4931.17 5449.75 5573.10 5794.22 5878.38 0.524992 0.552492 0.553436 0.462887 -1441.083684 -1441.056184 -1441.055240 -1441.145790 3.037062D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2021 DUDE Cc1cc(cc(c1)N2[C@H](N=C([C@@H](C2=O)[C@@H]3[C@@H]4C(=c5cc(ccc5=[NH+]4)OC)CCN3)O)O)C C64062064 RHF 6-31G(d) (6D,10F) C1 435.203231 |X|Y|Z| 43.739921 42.458947 125.182042 61.488856 25 6 7 21 4 |36.858105| |12.608718|36.858105| |7.559898|13.663541|36.858105| |5.003747|7.837256|13.763765|36.858105| |4.428745|6.826200|7.977243|13.666508|36.858105| |5.019360|7.938611|6.949670|7.943106|13.829931|36.858105| |7.548531|13.769556|7.982958|6.832876|7.912596|13.731061|36.858105| |3.841460|5.137371|4.556871|5.125807|7.812830|13.232057|7.819829|53.358707| |3.301862|4.165520|3.808434|4.258560|5.921012|7.718736|5.664736|17.974659|36.858105| |3.616875|4.556991|4.083523|4.409656|5.799605|7.548946|6.128806|12.727901|17.675774|0.500000| |2.844006|3.359926|3.029811|3.251338|4.150243|5.175315|4.370853|10.754363|13.250641|0.258596|53.358707| |2.637050|3.070145|2.779555|2.977715|3.759294|4.610427|3.939767|9.562395|8.268367|0.168753|20.816304|36.858105| |2.697241|3.199687|2.938019|3.209150|4.142105|5.020271|4.112515|10.609445|6.868646|0.140540|10.621675|12.584035|36.858105| |2.475803|2.951044|2.810530|3.163114|4.096618|4.599791|3.661016|9.085006|6.324779|0.129523|9.085576|9.123067|17.488910|0.500000| |3.358161|4.223723|3.803025|4.201827|5.815777|7.889221|5.855043|19.250550|7.821800|0.162527|9.137473|7.624127|12.375715|0.252317|36.858105| |3.437893|4.270900|3.868944|4.196895|5.470595|6.895530|5.621557|11.501520|5.356677|0.123908|6.460737|5.334498|8.021501|0.185093|15.899872|73.516695| |2.452952|2.797659|2.562637|2.722448|3.314929|3.889228|3.445648|6.995453|4.482101|0.102221|6.890311|7.245069|12.376214|0.246572|7.610560|12.538244|36.858105| |2.443833|2.804311|2.613642|2.804351|3.394785|3.860424|3.389020|6.590278|4.034522|0.093335|5.739454|5.460035|9.049240|0.220081|7.319527|14.232317|17.533104|0.500000| |2.054250|2.291982|2.136925|2.267864|2.684284|3.018746|2.720079|5.166951|3.619683|0.085008|5.772577|5.859475|7.322248|0.188569|4.862325|8.051429|12.297050|0.247758|36.858105| |2.008690|2.224355|2.060956|2.172563|2.561830|2.902814|2.643137|4.996863|3.681564|0.087216|6.240935|6.473395|6.711982|0.169099|4.447463|7.067343|8.767852|0.174314|17.631360|0.500000| |1.905251|2.079177|1.938578|2.024799|2.328856|2.588487|2.408798|4.197958|2.888951|0.070390|4.438853|4.140173|4.907224|0.126789|3.834309|6.823088|7.698707|0.195409|12.733795|0.248490|36.858105| |1.727434|1.884113|1.788806|1.883617|2.143581|2.316580|2.141967|3.670243|2.544875|0.062443|3.805689|3.415241|4.021790|0.111316|3.273494|5.901644|5.545510|0.157374|8.163799|0.174100|14.059166|36.858105| |1.569916|1.690128|1.614338|1.687694|1.883361|2.008844|1.884981|3.089191|2.142393|0.053575|3.144839|2.718277|3.109048|0.086219|2.679864|4.919727|3.996935|0.116213|5.060887|0.119857|7.424331|13.188600|36.858105| |1.455125|1.568899|1.517380|1.596849|1.770690|1.856064|1.731730|2.822763|1.974276|0.049561|2.860539|2.426469|2.750875|0.078464|2.406985|4.402641|3.342965|0.098333|4.093271|0.099558|5.141139|7.970044|14.177169|36.858105| |1.454499|1.584981|1.547698|1.650033|1.842048|1.908459|1.752150|2.919782|2.063077|0.051397|2.975588|2.519373|2.867718|0.084768|2.479292|4.469930|3.362949|0.099242|4.150091|0.100929|4.662000|6.901777|7.832532|13.069485|36.858105| |1.563065|1.724263|1.683663|1.813611|2.058398|2.137593|1.929739|3.339696|2.375167|0.058224|3.451734|2.975639|3.445020|0.105141|2.869904|5.076759|4.015908|0.117807|5.187646|0.122962|5.307454|7.667090|6.588859|7.692240|14.138877|36.858105| |1.722384|1.906793|1.834305|1.966872|2.265135|2.410347|2.173113|3.867959|2.726055|0.065876|4.057575|3.651839|4.363500|0.130133|3.437464|6.031929|5.553990|0.159112|8.362557|0.177599|8.489834|13.243354|7.618117|6.799882|8.077672|13.393703|36.858105| |1.886601|2.118736|2.026331|2.191138|2.584629|2.791455|2.465865|4.668899|3.328454|0.078207|5.084070|4.821742|5.981204|0.185483|4.246751|7.102402|7.534186|0.198095|13.123278|0.253240|8.310147|8.418034|5.274199|4.646704|5.262846|7.712068|14.490473|53.358707| |1.876232|2.126427|2.054540|2.251644|2.679330|2.852522|2.473826|4.809458|3.536582|0.082147|5.380805|5.014808|6.014748|0.207525|4.248206|6.867416|6.360913|0.166925|8.754260|0.208140|5.845667|5.921209|4.230603|3.953087|4.662275|6.842046|9.306821|26.022733|0.500000| |1.338787|1.431294|1.390057|1.455570|1.593350|1.657798|1.560832|2.479761|1.738022|0.044140|2.495137|2.075971|2.314413|0.065753|2.077940|3.817589|2.730640|0.080096|3.192258|0.080051|3.862672|5.193857|7.943466|14.309567|8.228832|5.308192|4.626602|4.781071|0.086603|73.516695| |1.306944|1.382884|1.335892|1.384633|1.503816|1.572833|1.500577|2.332691|1.628841|0.041717|2.337987|1.933017|2.134195|0.059516|1.944249|3.595732|2.524692|0.073512|2.880755|0.073244|3.555151|4.443229|6.687288|8.039447|5.228145|3.945673|3.743817|4.091674|0.074194|24.022084|36.858105| |1.974502|2.112765|1.934905|1.977497|2.243014|2.536050|2.441304|4.030171|2.738861|0.068253|4.197770|3.806411|4.310729|0.105643|3.616060|6.574796|6.435509|0.161276|7.443019|0.182423|12.791696|7.332260|5.713562|4.098001|3.571275|3.797956|5.125767|7.004533|0.114462|5.940387|3.295423|36.858105| |2.328667|2.503857|2.247359|2.274730|2.599934|3.025035|2.950945|4.817317|3.113835|0.077390|4.667205|4.223938|5.034837|0.115948|4.497381|8.551009|7.835619|0.199270|6.554254|0.157275|7.794369|5.284698|4.276611|3.340189|3.042140|3.284568|4.268000|6.233150|0.106571|4.999311|2.769472|12.379456|36.858105| |2.586076|2.860562|2.535134|2.594567|3.070007|3.714123|3.528614|6.362035|4.058802|0.097562|6.315848|6.165115|7.704915|0.156025|6.313944|11.033647|13.135121|0.250570|7.930850|0.196469|6.901137|4.754245|3.680670|3.015985|2.898363|3.269572|4.291387|6.966079|0.122834|4.503319|2.428360|7.789584|13.109436|53.358707| |2.289452|2.571631|2.341593|2.466785|2.977878|3.507827|3.160265|6.444388|5.375002|0.124157|11.601956|14.318737|7.915892|0.183034|5.190677|7.349732|6.572367|0.134769|6.531884|0.240574|4.562779|3.677038|2.892833|2.552404|2.628843|3.100973|3.871573|6.950008|0.143951|3.859294|2.024041|4.173595|4.291382|8.126466|73.516695| |2.855818|3.577635|3.520125|4.179504|5.803424|6.138373|4.447601|11.308133|13.664624|0.259494|11.193420|6.362805|5.874835|0.177476|6.191481|8.206054|3.989242|0.103731|3.397883|0.094748|2.712185|2.470082|2.090571|1.964545|2.097521|2.440956|2.732951|4.537463|0.102374|3.079580|1.604726|2.494058|2.745749|4.672346|8.172074|73.516695| |3.778673|4.989126|7.545506|12.607694|7.566141|5.035785|4.431326|5.232551|3.409146|0.096509|3.699168|2.525404|2.717580|0.076633|3.346799|5.990061|2.356824|0.068082|2.023827|0.053783|1.825108|1.730565|1.569093|1.505394|1.567224|1.713313|1.821837|2.724439|0.057525|2.459391|1.312241|1.765297|1.986824|3.019622|3.816952|6.334142|36.858105| |17.556195|8.844694|6.788584|4.612250|3.972008|4.287567|5.838420|4.593040|3.036709|0.094092|3.578709|2.409670|2.420883|0.062552|2.927530|5.225538|2.194947|0.060473|1.874171|0.051281|1.738808|1.588112|1.450204|1.352559|1.356336|1.454894|1.590692|2.364528|0.048273|2.222118|1.219996|1.792476|2.074655|3.120659|3.760360|4.764125|3.660847|0.500000| |17.582407|8.833029|5.569976|4.154667|3.957682|4.744091|7.237715|5.251097|3.347666|0.102135|4.041446|2.761145|2.779776|0.069585|3.412950|6.152242|2.552086|0.069600|2.132628|0.058354|1.983942|1.778545|1.612433|1.482961|1.472890|1.581522|1.756956|2.624228|0.052926|2.420975|1.334770|2.086424|2.481923|3.762107|4.294800|5.007800|3.211687|0.301760|0.500000| |17.549399|8.851626|6.664536|4.575208|3.976136|4.326272|5.929560|4.634542|2.901379|0.085730|3.457687|2.409552|2.515153|0.064543|3.106825|5.847029|2.342559|0.065812|1.970633|0.053061|1.853991|1.692280|1.551702|1.440778|1.433838|1.529881|1.677829|2.474249|0.049938|2.367935|1.305496|1.928875|2.277178|3.365194|3.762582|4.561490|3.623450|0.302297|0.301830|0.500000| |7.057558|8.929915|17.693418|8.955870|5.663757|4.989776|5.671892|4.932200|3.150464|0.093672|3.533653|2.403452|2.522947|0.067549|3.141538|5.733888|2.250421|0.063914|1.913042|0.051351|1.758628|1.636398|1.493243|1.410985|1.435907|1.549021|1.671997|2.484379|0.051313|2.315862|1.256829|1.761506|2.023738|3.046880|3.679777|5.281376|7.013332|0.195709|0.141153|0.188673|0.500000| |3.543633|4.928794|5.654085|8.863223|17.729351|8.965993|5.643714|9.806321|5.936519|0.151310|5.691369|3.834390|4.299078|0.125048|5.725384|9.318313|3.375049|0.096843|2.776330|0.073222|2.376375|2.215334|1.937207|1.837597|1.939697|2.191243|2.391186|3.740434|0.080639|2.928917|1.539592|2.237346|2.545358|4.089387|5.392838|11.942693|6.991249|0.090438|0.090211|0.090494|0.124185|0.500000| |6.954660|8.899640|5.652306|4.931191|5.646653|8.931820|17.715277|9.842020|5.506989|0.165390|6.277801|4.200864|4.249130|0.100991|5.807434|9.773254|3.638142|0.096711|2.851431|0.077854|2.536498|2.214678|1.942268|1.764490|1.767759|1.941822|2.212835|3.422893|0.069254|2.821325|1.534699|2.628992|3.234661|5.339415|6.056917|7.323377|3.544798|0.149863|0.220630|0.153335|0.124260|0.124508|0.500000| |1.552480|1.653494|1.569747|1.623778|1.796793|1.927004|1.835296|2.933074|2.025855|0.051169|2.971139|2.543951|2.867651|0.077792|2.525150|4.675305|3.676599|0.105776|4.428061|0.108231|6.581868|8.732538|17.784766|8.981182|5.562309|4.807934|5.497688|5.834703|0.098206|12.395576|7.278778|6.020171|4.394343|4.886623|4.818107|3.471799|1.505456|0.039805|0.044511|0.042788|0.040483|0.050806|0.052906|0.500000| |1.361103|1.479072|1.454841|1.552506|1.717872|1.760469|1.619560|2.659444|1.888915|0.047431|2.697661|2.243254|2.517337|0.074743|2.220810|4.003651|2.857649|0.084178|3.392128|0.084707|3.691512|4.970896|5.664674|8.842736|17.732492|9.052260|5.685865|5.702740|0.108510|13.873424|4.947117|2.978280|2.604026|3.401935|4.131086|3.444878|1.490071|0.035428|0.038134|0.037350|0.037706|0.050362|0.045152|0.124047|0.500000| |1.536451|1.704692|1.680495|1.827969|2.077852|2.128200|1.901614|3.317689|2.391205|0.058541|3.442048|2.921332|3.342044|0.105364|2.803232|4.892202|3.674718|0.107157|4.534870|0.111291|4.303590|5.498737|4.805538|5.513475|8.986145|17.751878|8.727073|9.228512|0.193409|7.637041|3.312178|3.230531|2.898365|4.045054|5.341638|4.474818|1.743379|0.039911|0.042941|0.041659|0.042972|0.062235|0.052677|0.105093|0.215489|0.500000| |1.368121|1.445447|1.393333|1.439632|1.560831|1.636196|1.567120|2.415826|1.666903|0.042695|2.378219|1.967965|2.198979|0.060825|2.027650|3.803338|2.632852|0.077801|2.932057|0.073497|3.673540|4.490077|6.682124|7.080517|4.734123|3.742358|3.681028|4.081022|0.073449|16.442878|17.579936|3.497651|2.987831|3.483930|3.626261|2.901924|1.360246|0.035326|0.038824|0.038130|0.036408|0.044193|0.044558|0.218041|0.121391|0.087401|0.500000| |1.298268|1.368638|1.314568|1.357088|1.475878|1.554487|1.489576|2.316188|1.628237|0.041788|2.361833|1.957222|2.130994|0.058913|1.924135|3.527374|2.529123|0.072160|2.931779|0.075889|3.676439|4.490640|6.679558|7.077144|4.732707|3.740324|3.677142|4.073068|0.073560|16.442321|17.579922|3.479608|2.834296|3.363101|3.696262|2.833882|1.280192|0.033697|0.037015|0.035908|0.034327|0.041831|0.042587|0.218311|0.121379|0.087344|0.297988|0.500000| |1.224122|1.291059|1.253037|1.297805|1.399954|1.454469|1.390719|2.139085|1.498927|0.038600|2.138608|1.748938|1.915447|0.053632|1.763625|3.257378|2.218869|0.064523|2.489997|0.064049|2.965038|3.581979|4.893841|5.906447|4.425279|3.411180|3.166753|3.554549|0.065789|16.960963|17.682041|2.779640|2.400682|2.909741|3.240124|2.637627|1.238114|0.031866|0.034633|0.034032|0.032901|0.039826|0.039373|0.143356|0.124137|0.082423|0.299606|0.299607|0.500000| |1.926468|2.044791|1.862237|1.892561|2.140863|2.433528|2.363686|3.879072|2.710356|0.068208|4.268469|3.851831|4.061808|0.098931|3.371373|5.926046|5.581049|0.132335|6.622357|0.188845|9.035270|5.852057|4.751095|3.592412|3.197429|3.408943|4.459361|6.289425|0.106664|5.340580|2.981483|17.549365|8.855183|9.500302|7.925829|4.349042|1.687764|0.048897|0.056992|0.051881|0.047182|0.059126|0.071452|0.138821|0.075434|0.082355|0.085798|0.089301|0.071020|0.500000| |1.842587|1.949561|1.797898|1.828810|2.042100|2.274114|2.210316|3.516503|2.387903|0.060317|3.579144|3.135875|3.520935|0.088868|3.089530|5.737362|4.878697|0.131482|5.476195|0.136063|8.903313|6.818250|6.283513|4.358976|3.583024|3.614157|4.605171|5.866966|0.098126|6.468194|3.747869|17.605411|8.748364|7.651249|6.004376|3.916080|1.649452|0.046629|0.053897|0.050500|0.045899|0.056518|0.065633|0.208560|0.083588|0.084681|0.113378|0.111481|0.086302|0.300801|0.500000| |2.373013|2.490086|2.203825|2.186831|2.456904|2.874872|2.903711|4.451727|2.899998|0.073911|4.327009|3.763461|4.207159|0.097646|3.957916|7.492828|5.693350|0.145574|4.919913|0.127436|5.639186|4.188567|3.619513|2.904375|2.634154|2.787923|3.465886|4.993948|0.088486|4.485433|2.541798|8.856380|17.616934|12.533067|6.826991|4.492962|1.904362|0.058649|0.071370|0.064657|0.055494|0.065806|0.090230|0.106474|0.063877|0.069359|0.076223|0.072897|0.061999|0.218621|0.208032|0.500000| |2.340285|2.527409|2.295093|2.332054|2.647533|3.026865|2.937352|4.693410|2.954682|0.073485|4.254274|3.754089|4.683431|0.112009|4.443747|9.080270|7.045000|0.214373|5.720850|0.131025|6.871366|5.241687|4.408077|3.475591|3.144564|3.348672|4.255138|5.989616|0.102824|5.224038|2.896024|8.817413|17.477580|12.220487|6.516905|4.722230|2.048802|0.057626|0.068377|0.064503|0.057561|0.072132|0.087535|0.125776|0.074904|0.081797|0.088877|0.080431|0.069649|0.173860|0.215818|0.301508|0.500000| |2.982097|3.320078|2.863948|2.888882|3.434628|4.328129|4.218564|7.353092|4.399882|0.106994|6.532404|5.979452|7.413763|0.147752|7.382114|13.417368|9.458810|0.215376|5.796742|0.148046|5.131806|3.884315|3.155898|2.661841|2.577149|2.875797|3.610491|5.757464|0.106071|4.060567|2.204281|5.752760|9.482437|25.908507|9.410886|6.369366|2.411255|0.072049|0.089518|0.078826|0.069410|0.090874|0.134345|0.086214|0.062834|0.073985|0.064830|0.061842|0.054570|0.147115|0.127466|0.230202|0.218241|0.500000| |2.236039|2.485827|2.261561|2.364583|2.816220|3.295043|3.020699|5.855090|5.162254|0.125329|11.473883|10.237321|5.922071|0.144540|4.403195|6.341057|4.970666|0.108837|4.979445|0.176113|3.787831|3.156167|2.567858|2.297539|2.363802|2.741990|3.302895|5.650503|0.118832|3.530407|1.864018|3.573340|3.646973|6.506882|35.494236|7.846933|2.066197|0.058029|0.065787|0.057023|0.055843|0.079216|0.090762|0.067497|0.058858|0.074583|0.051963|0.053368|0.047011|0.107943|0.082730|0.094029|0.087589|0.122962|0.500000| |2.630448|3.201324|3.159236|3.662342|4.730623|4.910400|3.843922|8.304306|9.874023|0.233451|10.258877|5.647741|4.854393|0.145430|4.826541|6.719420|3.494606|0.090078|3.110026|0.088701|2.511112|2.303605|1.966302|1.858710|1.988193|2.303073|2.548558|4.185325|0.095002|2.930332|1.528476|2.315819|2.500280|4.180464|7.796651|35.661716|3.223607|0.069818|0.072392|0.065598|0.075719|0.147677|0.100801|0.051112|0.051339|0.066362|0.042940|0.042330|0.039403|0.063903|0.057127|0.064533|0.066682|0.087836|0.122258|0.500000| |3.378676|4.322525|5.979774|8.851829|6.603406|4.574823|3.977434|4.965035|3.175948|0.087167|3.516112|2.457780|2.712934|0.077378|3.327256|6.130618|2.390274|0.070337|2.054847|0.053985|1.864203|1.783601|1.623154|1.564612|1.633338|1.782389|1.883157|2.795178|0.058899|2.558592|1.361427|1.791935|2.013983|3.029551|3.735684|5.961134|17.543373|0.089111|0.081274|0.092756|0.156376|0.183379|0.090569|0.043146|0.043228|0.050443|0.039305|0.036688|0.035706|0.047175|0.046716|0.053255|0.058406|0.066812|0.055649|0.083623|0.500000| 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