Version2.4 2021-06-06T18:31:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 17-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc4ccc(cc4s3)C)[O-])C(=O)c5ccc6c(c5)C[C@H](O6)C C09357267 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc4ccc(cc4s3)C)[O-])C(=O)c5ccc6c(c5)C[C@H](O6)C C01[X(C29H23N2O4S1)] 171 C1 590 C[C@H]1Oc2c(C1)cc(cc2)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(cc1)C)c1nc2c(s1)cc(cc2)C C[C@H]1Oc2c(C1)cc(cc2)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(cc1)C)c1nc2c(s1)cc(cc2)C C[C@@H]1Cc2cc(ccc2O1)C(=O)C3=C([O-])C(=O)N([C@H]3c4ccc(C)cc4)c5sc6cc(C)ccc6n5 InChIKey=ZRXXWNYIYFXEEE-NSYGIPOTSA-M InChI=1S/C29H24N2O4S/c1-15-4-7-18(8-5-15)25-24(26(32)19-9-11-22-20(14-19)13-17(3)35-22)27(33)28(34)31(25)29-30-21-10-6-16(2)12-23(21)36-29/h4-12,14,17,25,33H,13H2,1-3H3/p-1/t17-,25+/m1/s1 InChI=1/C29H24N2O4S/c1-15-4-7-18(8-5-15)25-24(26(32)19-9-11-22-20(14-19)13-17(3)35-22)27(33)28(34)31(25)29-30-21-10-6-16(2)12-23(21)36-29/h4-12,14,17,25,33H,13H2,1-3H3/p-1/t17-,25+/m1/s1/fC29H23N2O4S/h33h/q-1 Cc1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc4ccc(cc4s3)C)[O-])C(=O)c5ccc6c(c5)C[C@H](O6)C C01[X(C29H23N2O4S1)] 171 C01 590 C[C@H]1Oc2c(C1)cc(cc2)C(=O)C1=C([O-])C(=O)N([C@H]1c1ccc(cc1)C)c1nc2c(s1)cc(cc2)C C[C@H]1O[C]2[C]([CH][C]([CH][CH]2)[C]([C]2[C](=O)C(=O)N([C@H]2[C]2[CH][CH][C]([CH][CH]2)C)C2=N[C]3[C]([CH][C]([CH][CH]3)C)S2)=O)C1 C[C]1[CH][CH][C]([CH][CH]1)[C@H]2[C](C(=O)[C]3[CH][CH][C]4O[C@H](C)C[C]4[CH]3)C(=O)C(=O)N2C5=N[C]6[CH][CH][C](C)[CH][C]6S5 InChIKey=IMFYLKLTUYHWIY-NSYGIPOTSA-N InChI=1S/C29H23N2O4S/c1-15-4-7-18(8-5-15)25-24(26(32)19-9-11-22-20(14-19)13-17(3)35-22)27(33)28(34)31(25)29-30-21-10-6-16(2)12-23(21)36-29/h4-12,14,17,25H,13H2,1-3H3/t17-,25+/m1/s1 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210.25 219.39 241.29 283.81 297.98 310.53 329.28 347.30 366.09 381.80 393.34 429.57 436.35 459.23 492.95 511.19 544.13 558.34 574.39 606.47 635.55 658.74 661.26 682.20 692.84 705.55 709.22 760.77 788.29 816.00 831.73 840.71 872.78 885.45 912.07 946.63 972.61 1008.33 1019.77 1023.81 1039.46 1073.05 1105.03 1149.10 1157.72 1170.32 1180.36 1202.61 1233.41 1246.73 1273.57 1281.64 1305.32 1314.91 1325.89 1332.99 1339.03 1357.57 1360.20 1363.47 1409.59 1423.03 1449.76 1462.78 1486.13 1506.27 1542.72 1552.57 1566.69 1570.55 1576.47 1578.93 1607.98 1619.70 1677.72 1682.99 1683.49 1691.63 1709.77 1723.49 1740.66 1757.65 1768.16 1775.21 1817.48 1851.85 1859.85 1869.40 1879.45 1884.92 1888.52 1907.64 1921.17 1925.56 1927.87 1962.14 1991.37 2002.98 2017.39 2046.28 2059.93 2069.74 2080.51 2154.44 2174.43 2189.27 2197.83 2232.90 2249.00 2251.14 2260.13 2263.03 2277.64 2283.95 2346.56 2348.32 2349.30 2359.21 2364.63 2365.17 2366.56 2372.20 2397.50 2434.56 2472.75 2529.72 2555.98 2578.88 2607.16 2611.19 2620.41 2623.69 2791.55 2874.39 4592.14 4593.29 4593.63 4605.14 4613.70 4659.34 4660.20 4681.83 4696.89 4702.36 4703.81 4714.96 4722.83 4799.65 4804.24 4806.70 4831.10 4852.25 4863.37 4866.17 4872.02 4876.59 4878.36 0.489797 0.519217 0.520161 0.424644 -1917.017358 -1916.987938 -1916.986994 -1917.082512 3.203689D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE Cc1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc4ccc(cc4s3)C)[O-])C(=O)c5ccc6c(c5)C[C@H](O6)C C09357267 RHF 6-31G(d) (6D,10F) C1 495.137854 |X|Y|Z| 119.395009 49.199673 64.815980 72.478661 30 6 7 8 16 26 2 1 1 |36.858105| |12.602706|36.858105| |7.535876|13.769303|36.858105| |5.001952|7.891772|13.706112|36.858105| |4.400271|6.760734|7.888985|13.779564|36.858105| |5.014221|7.886319|6.918524|8.011234|13.672358|36.858105| |7.546824|13.664860|8.008209|6.925468|7.893379|13.808024|36.858105| |3.251223|4.381515|4.984426|7.510128|12.449905|7.481898|4.987652|36.858105| |3.037599|3.981458|4.809049|7.403487|8.976129|5.600236|4.200240|17.634108|0.500000| |2.874258|3.690155|3.926356|5.155959|7.421048|6.177176|4.330954|12.522140|0.240639|36.858105| |2.558832|3.170156|3.237739|3.987859|5.454817|5.185246|3.793921|7.875400|0.165624|13.552463|36.858105| |2.573442|3.193801|3.285722|4.071053|5.531756|5.152716|3.790194|7.998864|0.170236|8.117379|12.388173|36.858105| |2.320557|2.788735|2.822627|3.345791|4.248749|4.149706|3.264852|5.408989|0.126614|5.431277|7.733750|15.960470|73.516695| |2.911825|3.754129|4.052070|5.407892|7.690851|6.132855|4.344371|12.899821|0.255634|8.167280|8.089108|13.794884|14.875461|53.358707| |2.823815|3.551874|3.903886|5.018745|6.097437|4.982708|3.898537|7.664844|0.198143|5.230893|5.181713|7.834658|11.943601|19.018381|36.858105| |2.960820|3.723331|4.346313|5.681593|6.000361|4.624707|3.825208|6.703827|0.200285|4.474215|4.111168|5.303671|8.250747|11.194066|14.919357|53.358707| |2.668616|3.186309|3.608687|4.270039|4.293744|3.631404|3.205742|4.522378|0.132670|3.402690|3.263684|4.127830|6.986220|7.413175|8.686067|18.785162|36.858105| |2.575192|2.975935|3.424669|3.859806|3.618313|3.100970|2.866960|3.645071|0.109559|2.849898|2.688664|3.201677|5.431030|5.453434|5.405271|10.529074|13.673691|36.858105| |2.268004|2.531974|2.813017|3.046851|2.905084|2.598000|2.452677|2.923819|0.085909|2.397865|2.316602|2.732532|4.786625|4.404599|4.168241|7.027999|7.973597|13.834341|36.858105| |2.088683|2.316984|2.496261|2.696080|2.670452|2.453672|2.304340|2.730150|0.078238|2.292957|2.280818|2.737629|4.963338|4.265413|4.039777|6.215414|6.813906|7.844523|13.589424|36.858105| |2.137691|2.412126|2.565250|2.825241|2.909183|2.691291|2.468822|3.044403|0.085457|2.551481|2.599192|3.247947|6.055881|5.024194|4.974387|7.121745|7.856961|6.815576|7.947096|13.777753|36.858105| |2.394988|2.795673|3.014445|3.452361|3.645730|3.278448|2.903577|3.910515|0.109255|3.132044|3.175720|4.164626|7.603989|6.851169|7.796729|11.063682|13.714867|7.940396|6.949203|7.959048|13.714749|36.858105| |2.399294|2.853104|2.987971|3.499524|4.029728|3.721203|3.130765|4.611638|0.120428|3.788072|4.117441|6.129581|12.253636|9.455407|10.751539|9.981422|7.415199|4.881558|4.257848|4.673004|6.713978|10.891392|388.023441| |1.841820|1.994336|2.116175|2.236033|2.210437|2.071827|1.978471|2.245343|0.063985|1.944087|1.946634|2.280186|4.175056|3.436035|3.079776|4.561993|4.422444|5.007783|7.544029|12.598825|7.555650|5.024874|25.281063|36.858105| |2.284041|2.735649|2.737519|3.220588|4.132447|4.146744|3.245322|5.266016|0.121355|7.879545|15.754530|8.020761|11.796453|7.456507|4.020905|4.489691|2.753034|2.321408|2.049539|2.043151|2.317218|2.743793|24.942616|1.777755|73.516695| |2.807434|3.513555|3.726420|4.641930|5.875033|5.173549|3.985931|7.289428|0.176043|13.252786|7.580841|5.084560|6.955639|6.956179|3.821375|4.778024|2.801242|2.453802|2.098129|1.991731|2.163786|2.568745|21.002302|1.720980|10.963615|36.858105| |2.572397|3.100352|3.162525|3.695696|4.489883|4.345130|3.540830|5.124607|0.125997|8.091170|6.470119|4.329227|6.266513|5.553596|3.179605|3.960677|2.408293|2.134941|1.863452|1.789161|1.940319|2.258769|18.489197|1.568719|11.086060|15.722379|73.516695| |2.891929|3.596172|4.043023|5.062001|5.568919|4.572988|3.779226|6.224618|0.176119|7.484413|4.938486|3.931554|5.624653|5.830381|3.469112|4.637575|2.740998|2.478978|2.105077|1.956239|2.077276|2.440775|18.967400|1.693860|7.424080|12.533635|14.581914|36.858105| |2.643687|3.235408|3.800553|4.862862|4.954468|3.876122|3.270525|5.866508|0.194650|6.093238|4.317606|3.706600|5.391586|5.694136|3.546106|4.920218|2.909050|2.666596|2.242944|2.056147|2.161330|2.539576|19.220778|1.772413|6.486999|7.466339|9.752707|13.722838|36.858105| |2.536227|3.002609|3.580604|4.306158|4.019254|3.255330|2.905101|4.331571|0.142155|4.251379|3.288026|2.956271|4.467461|4.534059|2.994199|4.304798|2.646864|2.521324|2.143513|1.941204|1.997093|2.297086|16.779164|1.692147|5.122913|4.964474|7.285603|7.833041|13.678361|36.858105| |2.651112|3.067005|3.596329|4.043784|3.694452|3.135396|2.910275|3.694912|0.113627|3.689623|2.918380|2.610246|3.995967|3.938858|2.614869|3.741537|2.346058|2.260329|1.949266|1.771409|1.812074|2.057831|14.987535|1.561365|4.643940|4.453717|6.916521|6.904651|8.059495|13.854825|36.858105| |2.897019|3.360260|3.789614|4.140287|3.910855|3.456876|3.240663|3.761176|0.109067|3.921456|3.076328|2.674743|4.073865|3.966678|2.574264|3.600626|2.248883|2.137632|1.852891|1.702686|1.757450|1.998708|14.820519|1.504037|4.935476|5.047551|8.107507|7.948907|6.928680|7.892120|13.765054|36.858105| |3.037812|3.661751|4.014375|4.578123|4.699817|4.183105|3.735460|4.597442|0.127110|5.169383|3.843866|3.176211|4.719912|4.648545|2.887859|3.922166|2.395879|2.218413|1.912105|1.775250|1.862240|2.146590|16.371937|1.557083|6.087521|7.607103|11.869775|13.646703|7.943958|6.799896|7.971921|13.848261|36.858105| |2.773475|3.043433|3.323399|3.387254|3.150371|2.917504|2.871874|2.953474|0.084398|3.039653|2.513695|2.234026|3.485371|3.271635|2.175949|3.054402|1.960874|1.894856|1.670343|1.538785|1.573691|1.760054|12.899540|1.376977|4.130898|3.705303|6.304161|4.930748|4.501030|5.207949|8.157178|12.626185|7.217508|36.858105| |2.579905|2.790497|3.144264|3.192989|2.864771|2.594921|2.565366|2.710849|0.079804|2.689211|2.252198|2.059075|3.243011|3.055227|2.084470|2.988209|1.944920|1.917447|1.694348|1.544526|1.559117|1.730284|12.416019|1.386707|3.684915|3.121297|5.188731|4.089252|4.158053|5.320017|8.444418|8.079799|5.122271|12.340504|36.858105| |2.834871|3.023581|3.457877|3.394155|2.942630|2.666342|2.693234|2.705090|0.079592|2.609314|2.190935|2.037171|3.215544|3.060519|2.114627|3.070729|2.008487|2.000842|1.764854|1.596475|1.600783|1.773346|12.576470|1.432239|3.558446|2.945943|4.838248|3.772924|3.834970|4.769252|6.841023|6.596122|4.591429|8.818524|17.531939|0.500000| |2.452633|2.728849|3.162934|3.378823|3.030396|2.647237|2.537358|2.975319|0.090620|2.927772|2.418016|2.214168|3.463958|3.317172|2.263799|3.270985|2.110651|2.079151|1.820296|1.649758|1.665768|1.860269|13.315016|1.471366|3.915210|3.385945|5.468129|4.634863|5.218797|7.855199|14.030941|8.341171|5.341983|8.024180|13.353711|0.260627|73.516695| |2.185991|2.304504|2.530414|2.548325|2.335004|2.157258|2.143964|2.244902|0.065661|2.251335|1.941224|1.785159|2.855099|2.607332|1.796307|2.559762|1.697072|1.684200|1.512275|1.388212|1.395706|1.529334|10.946008|1.261183|3.232524|2.575384|4.397886|3.192792|3.261801|4.012889|5.449549|5.211137|3.811964|7.360789|12.573443|0.246988|14.151286|36.858105| |17.527972|8.823916|5.866128|4.288005|3.944587|4.587855|6.699374|3.006785|0.077608|2.662164|2.436362|2.500284|4.081118|3.812406|2.766942|3.916238|2.655059|2.562573|2.292491|2.135351|2.187952|2.424999|17.206533|1.893869|3.896890|2.549850|4.189527|2.566684|2.369340|2.260355|2.326409|2.508029|2.642954|2.399483|2.251241|0.067921|3.845554|1.944238|0.500000| |17.527294|8.822775|5.869742|4.287677|3.945010|4.591704|6.698016|3.009345|0.077736|2.767905|2.474651|2.429200|3.902485|3.647993|2.547962|3.568127|2.361341|2.268244|2.018747|1.879162|1.931067|2.150658|15.570614|1.673888|3.988358|2.777451|4.625641|2.853570|2.557893|2.458918|2.620359|2.937506|3.086711|2.879208|2.617407|0.079409|4.327391|2.231293|0.302316|0.500000| |17.561935|8.832823|7.228548|4.735535|3.939741|4.167171|5.563824|3.004565|0.080338|2.640129|2.339336|2.359112|3.797454|3.655715|2.649893|3.873296|2.602508|2.580345|2.279435|2.069153|2.080906|2.307466|16.051429|1.833742|3.720518|2.601131|4.224247|2.753142|2.579521|2.540153|2.678067|2.870969|2.909105|2.797835|2.678453|0.083631|4.499296|2.272064|0.301768|0.301726|0.500000| |6.970864|8.927191|17.684059|8.925705|5.634393|4.973127|5.666999|4.078936|0.114659|3.314024|2.781751|2.825908|4.403361|4.656690|3.397417|5.280017|3.365812|3.351335|2.784651|2.429585|2.435861|2.796959|19.093788|2.082148|4.262542|3.217283|4.941508|3.594425|3.510118|3.482858|3.564900|3.647505|3.650522|3.313552|3.268121|0.103230|5.794518|2.633800|0.151615|0.151746|0.221537|0.500000| |4.086971|5.636482|8.925776|17.724767|8.954607|5.676353|4.979879|6.989930|0.228904|4.815275|3.726712|3.825799|5.644536|6.949639|4.943452|8.176406|4.494578|4.190012|3.228693|2.786018|2.871018|3.500564|24.377073|2.298157|5.390257|4.400234|6.191584|5.092214|5.430808|4.982210|4.450785|4.244287|4.472916|3.421914|3.360803|0.099300|6.595506|2.666144|0.099447|0.099383|0.112956|0.216486|0.500000| |4.097226|5.630743|4.976362|5.678495|8.909999|17.722723|8.960697|6.958041|0.140590|6.665580|6.207947|5.987101|8.517793|8.624690|4.863122|5.738196|3.379151|2.845562|2.432132|2.351705|2.625375|3.183949|27.112125|2.002091|8.868503|5.343340|8.319324|4.313474|3.608591|2.988338|2.859689|3.161336|3.887252|2.685124|2.371762|0.066642|4.307458|2.006369|0.108182|0.108459|0.095987|0.107879|0.124540|0.500000| |7.006473|8.894740|5.671377|4.976127|5.631335|8.959573|17.677341|4.077665|0.096474|3.766183|3.470981|3.445724|5.447646|5.092523|3.387160|4.434334|2.825989|2.544917|2.232964|2.134257|2.291189|2.640581|20.435399|1.861577|5.480443|3.525366|5.819990|3.274085|2.831950|2.540026|2.567925|2.875446|3.292471|2.617502|2.328216|0.067494|4.044390|1.984542|0.190261|0.190332|0.140375|0.124257|0.107927|0.217152|0.500000| |2.712373|3.138289|3.754776|4.223234|3.737349|3.128957|2.928379|3.676443|0.113721|2.855803|2.618854|3.017022|4.999130|5.170038|4.812297|9.515723|8.912047|17.727093|8.891447|5.592234|4.922889|5.649750|28.810279|4.081648|4.010819|2.507884|3.854199|2.604766|2.844013|2.745761|2.460881|2.295975|2.346402|2.034772|2.086857|0.061048|4.047172|1.819907|0.073761|0.065979|0.076904|0.105136|0.133120|0.078124|0.071305|0.500000| |2.163024|2.367260|2.632993|2.789226|2.608786|2.348877|2.256585|2.593286|0.076545|2.163338|2.075964|2.388365|4.166620|3.790797|3.427996|5.666593|5.662566|8.975940|17.683485|8.893433|5.654963|4.988753|24.410142|7.039025|3.296377|1.930303|3.068586|1.961497|2.096612|2.040151|1.871898|1.770693|1.804029|1.613709|1.653902|0.048074|3.150355|1.486212|0.060668|0.053627|0.061240|0.074009|0.082625|0.060885|0.057370|0.214958|0.500000| |1.975297|2.204292|2.300747|2.508482|2.622220|2.481893|2.284686|2.756360|0.076230|2.380821|2.478399|3.088094|5.950973|4.566049|4.300570|5.778320|5.609266|4.920989|5.637153|8.911620|17.702069|8.886147|44.206890|6.977362|4.000493|2.029051|3.276731|1.926755|1.986367|1.832412|1.672403|1.632528|1.735090|1.469539|1.449216|0.041159|2.739276|1.305965|0.056468|0.050069|0.053131|0.060550|0.070023|0.068485|0.059831|0.106994|0.124054|0.500000| |1.722472|1.860343|1.989435|2.107857|2.069552|1.924456|1.835650|2.120253|0.061142|1.849750|1.843054|2.130661|3.878046|3.198489|2.821657|4.204263|3.964131|4.595718|6.719216|8.820326|5.865787|4.299585|22.498788|17.529563|3.003489|1.651951|2.680627|1.638760|1.730557|1.666014|1.533463|1.465948|1.507359|1.344788|1.363583|0.039057|2.583529|1.246045|0.048802|0.043712|0.047933|0.054803|0.060899|0.051616|0.047905|0.108163|0.192272|0.151343|0.500000| |1.746451|1.887687|1.976936|2.089955|2.100870|1.993928|1.898033|2.149928|0.060585|1.888143|1.919206|2.257369|4.209711|3.330470|2.952120|4.213924|3.951710|4.156382|5.558610|8.833103|7.257196|4.750754|25.314437|17.568021|3.144347|1.668249|2.721988|1.624537|1.687789|1.601329|1.480024|1.434076|1.492868|1.313987|1.315247|0.037568|2.474210|1.199907|0.050059|0.044396|0.047927|0.053586|0.059092|0.054201|0.050057|0.095622|0.140803|0.222155|0.301898|0.500000| |1.871668|1.998417|2.107012|2.184324|2.136185|2.022462|1.963528|2.125831|0.060273|1.844153|1.835714|2.125104|3.862813|3.203228|2.825297|4.204766|3.965332|4.585242|6.684694|8.819837|5.890182|4.311108|22.551482|17.527817|2.986795|1.646382|2.676830|1.627871|1.693250|1.626902|1.515971|1.465908|1.511372|1.352054|1.363617|0.039321|2.553861|1.242204|0.053880|0.047102|0.052030|0.058052|0.061951|0.053989|0.051553|0.107847|0.190375|0.152264|0.302250|0.301914|0.500000| |2.466942|3.014633|3.516639|4.578322|4.839546|3.741105|3.093564|6.419209|0.230846|6.542463|4.736459|4.152293|5.986545|6.418560|3.975495|5.451780|3.179186|2.862316|2.392299|2.201842|2.336538|2.776975|21.240570|1.882477|6.978683|6.927327|9.056098|8.950316|17.725813|8.935856|5.706025|4.981690|5.653991|3.591411|3.412476|0.089133|7.456087|2.798437|0.062493|0.065637|0.066676|0.089947|0.144099|0.098702|0.074823|0.083824|0.061508|0.059519|0.051161|0.049858|0.049449|0.500000| |2.321106|2.702865|3.225845|3.827997|3.531142|2.879545|2.595305|3.850414|0.129041|3.677889|2.964407|2.750041|4.229256|4.225223|2.881595|4.215749|2.645223|2.564911|2.189212|1.968834|2.004950|2.286347|16.383861|1.720905|4.658597|4.045630|6.087647|5.588000|8.821169|17.728938|8.911203|5.622640|4.915004|4.264310|4.682460|0.119454|12.464498|3.760254|0.058163|0.062022|0.065257|0.089067|0.126179|0.073845|0.063540|0.078229|0.058298|0.050955|0.047477|0.045051|0.045817|0.213633|0.500000| |3.118571|3.703526|3.830450|4.177388|4.442437|4.275856|3.899341|4.206077|0.110714|4.889589|3.799166|3.093439|4.641301|4.404165|2.724511|3.637057|2.246369|2.072189|1.804441|1.691958|1.782642|2.043938|15.756712|1.492530|6.180709|7.147717|12.801260|8.930568|5.658767|4.915495|5.647311|8.892301|17.730563|6.435890|4.427068|0.112641|7.652596|3.466369|0.075430|0.090468|0.081313|0.095518|0.108413|0.113140|0.098043|0.060246|0.047271|0.046480|0.039973|0.039955|0.040381|0.124556|0.106908|0.500000| |3.096133|3.325377|3.540950|3.453788|3.188500|3.038601|3.091197|2.880972|0.080707|2.933205|2.448948|2.193544|3.434427|3.214882|2.145639|3.009533|1.939758|1.876209|1.658067|1.529366|1.563360|1.745060|12.777283|1.370570|4.026819|3.503969|6.005135|4.422021|3.914074|4.291608|5.998202|8.719162|6.356459|17.569414|8.706971|0.225804|10.452169|6.015784|0.073239|0.091389|0.086817|0.098342|0.094065|0.077015|0.078813|0.055873|0.044524|0.040590|0.037021|0.036343|0.037572|0.089174|0.100083|0.174663|0.500000| |2.453594|2.659281|2.834287|2.903051|2.782222|2.622998|2.568228|2.670205|0.075662|2.823139|2.385515|2.100587|3.305371|3.016006|2.001616|2.776116|1.796642|1.731406|1.540779|1.431790|1.468133|1.632660|12.048793|1.289440|3.997911|3.472279|6.156483|4.413535|4.004835|4.494595|6.391914|8.828257|6.200280|17.509752|8.705142|0.175590|11.426766|7.174628|0.059970|0.071290|0.068159|0.077835|0.081062|0.068580|0.066245|0.051177|0.041364|0.038333|0.035042|0.034340|0.035128|0.091126|0.105185|0.164293|0.301790|0.500000| |2.018987|2.144220|2.333450|2.389316|2.237161|2.071827|2.033032|2.193666|0.064045|2.242936|1.944857|1.771036|2.836799|2.557720|1.750599|2.470772|1.636639|1.613260|1.452561|1.342022|1.355640|1.485255|10.716845|1.221099|3.267997|2.596914|4.500924|3.201240|3.269337|3.982731|5.272462|5.063143|3.793500|6.737082|8.867203|0.173832|12.713819|17.562151|0.050305|0.057324|0.057559|0.066358|0.069293|0.054187|0.052544|0.048070|0.039532|0.035372|0.033554|0.032391|0.033291|0.078218|0.103757|0.096078|0.147088|0.209911|0.500000| |2.073413|2.175199|2.409861|2.426655|2.202834|2.021745|2.010078|2.127648|0.062841|2.103076|1.826302|1.702156|2.737151|2.497748|1.742602|2.504943|1.676307|1.681657|1.515906|1.385394|1.382784|1.506863|10.670405|1.262767|3.035658|2.355939|3.987531|2.884950|3.034456|3.776035|4.831924|4.329764|3.300241|5.417600|8.854089|0.213826|12.829958|17.564737|0.051590|0.058138|0.060442|0.070615|0.071497|0.052158|0.051632|0.050738|0.041651|0.035882|0.034808|0.033275|0.034580|0.073813|0.102791|0.082988|0.129803|0.142907|0.300798|0.500000| 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