Version2.1 2021-01-08T20:12:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@]1(c2cccc(c2C(=O)[C@@H]3[C@@H]1[C@H]([C@@H]4[C@@H](C(=O)C(=C([C@@]4(C3=O)O)[O-])C(=O)N)[NH+](C)C)O)O)O C43760957 RHF 6-31G(d) (6D,7F) C[C@]1(c2cccc(c2C(=O)[C@@H]3[C@@H]1[C@H]([C@@H]4[C@@H](C(=O)C(=C([C@@]4(C3=O)O)[O-])C(=O)N)[NH+](C)C)O)O)O C01[X(C22H24N2O9)] 165 C1 543 NC(=O)C1=C([O-])[C@]2([C@@H]([C@@H](C1=O)[NH+](C)C)[C@H](O)[C@H]1[C@H](C2=O)C(=O)c2c([C@@]1(C)O)cccc2O)O NC(=O)C1=C([O-])[C@]2([C@@H]([C@@H](C1=O)[NH+](C)C)[C@H](O)[C@H]1[C@H](C2=O)C(=O)c2c([C@@]1(C)O)cccc2O)O C[NH+](C)[C@H]1[C@H]2[C@H](O)[C@H]3[C@@H](C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@@]2(O)C(=C(C(N)=O)C1=O)[O-] InChIKey=HPNOZNNQWOBHKB-SOTXXZEQSA-N InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10,12-14,17,25,28,30,32-33H,1-3H3,(H2,23,31)/t10-,12+,13-,14-,17+,21+,22+/m0/s1 InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10,12-14,17,25,28,30,32-33H,1-3H3,(H2,23,31)/t10-,12+,13-,14-,17+,21+,22+/m0/s1/f/h30h,24H,23H2 C[C@]1(c2cccc(c2C(=O)[C@@H]3[C@@H]1[C@H]([C@@H]4[C@@H](C(=O)C(=C([C@@]4(C3=O)O)[O-])C(=O)N)[NH+](C)C)O)O)O C01[X(C22H24N2O9)] 165 C01 543 NC(=O)C1=C([O-])[C@]2([C@@H]([C@@H](C1=O)[NH+](C)C)[C@H](O)[C@H]1[C@H](C2=O)C(=O)c2c([C@@]1(C)O)cccc2O)O O[C@@H]1[C@H]2[C@@H](C(=O)[C]3[C]([CH][CH][CH][C]3O)[C@@]2(C)O)C(=O)[C@@]2([C@H]1[C@H]([NH](C)C)[C]([O])[C]([C]2=O)C(=O)N)O C[NH](C)[C@@H]1[C]([O])[C](C(N)=O)C(=O)[C@@]2(O)[C@@H]1[C@H](O)[C@H]3[C@@H](C(=O)[C]4[C](O)[CH][CH][CH][C]4[C@@]3(C)O)C2=O InChIKey=UKJKVRMBWUTGOG-SOTXXZEQSA-N InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10,12-14,17,24-25,28,32-33H,1-3H3,(H2,23,31)/t10-,12+,13-,14-,17+,21+,22+/m0/s1 InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10,12-14,17,24-25,28,32-33H,1-3H3,(H2,23,31)/t10-,12+,13-,14-,17+,21+,22+/m0/s1/f/h23H2 3821.6650120448 -1629.6747313 1-A 13375.0038 121 422 543 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.60191 -20.59960 -20.59128 -20.58847 -20.57982 -20.57872 -20.52044 -20.51975 -20.47481 -15.74011 -15.52607 -11.37026 -11.36429 -11.34247 -11.33993 -11.33658 -11.33296 -11.32887 -11.32661 -11.31979 -11.31825 -11.31408 -11.30772 -11.28818 -11.28453 -11.28365 -11.27409 -11.27166 -11.26070 -11.25379 -11.24972 -11.24652 -11.19603 -1.45293 -1.44275 -1.41900 -1.41665 -1.40817 -1.39392 -1.38562 -1.36212 -1.35795 -1.34034 -1.19439 -1.16407 -1.16052 -1.13170 -1.07837 -1.06462 -1.05346 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1248.23 1276.64 1303.89 1324.50 1342.34 1401.55 1410.91 1432.28 1443.18 1461.03 1476.88 1523.11 1544.64 1563.34 1587.14 1615.89 1626.41 1646.71 1650.14 1665.42 1702.84 1714.92 1736.63 1752.94 1781.01 1786.27 1797.56 1814.60 1838.46 1840.76 1844.90 1876.99 1894.85 1910.83 1959.26 1975.63 1985.56 2004.24 2017.13 2027.07 2051.84 2064.45 2089.83 2115.68 2118.22 2137.13 2140.30 2172.89 2177.01 2180.88 2199.13 2215.45 2231.71 2244.22 2253.47 2258.62 2279.71 2307.53 2320.81 2334.12 2334.80 2340.12 2360.14 2361.76 2368.61 2371.05 2399.52 2406.46 2541.15 2552.82 2601.64 2610.94 2709.88 2788.52 2831.15 2868.54 4570.61 4628.41 4673.90 4681.79 4696.50 4714.42 4716.12 4773.76 4792.94 4800.53 4827.56 4851.02 4853.98 4859.38 4898.12 4917.82 4918.28 5394.17 5484.23 5637.16 5653.64 5662.95 5852.61 5894.48 0.492175 0.519535 0.520479 0.436045 -1629.182556 -1629.155197 -1629.154252 -1629.238687 2.831964D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE C[C@]1(c2cccc(c2C(=O)[C@@H]3[C@@H]1[C@H]([C@@H]4[C@@H](C(=O)C(=C([C@@]4(C3=O)O)[O-])C(=O)N)[NH+](C)C)O)O)O C43760957 RHF 6-31G(d) (6D,10F) C1 460.148181 |X|Y|Z| 47.253380 42.661833 96.550045 57.952871 18 6 18 |36.858105| |12.467084|36.858105| |7.420223|12.381473|36.858105| |6.537291|7.463887|13.859175|36.858105| |4.418474|4.969312|7.928532|13.608208|36.858105| |3.680290|4.394296|6.806458|7.895434|13.932439|36.858105| |3.810135|4.977188|7.822957|6.836839|7.968515|13.615312|36.858105| |4.936422|7.515461|13.460969|7.904609|6.873805|7.861597|13.597030|36.858105| |4.326870|6.557430|7.568218|5.055546|4.484286|5.052587|7.665331|12.893342|36.858105| |3.404546|4.663021|5.275273|4.004447|3.816030|4.509308|6.735110|8.095119|15.839010|73.516695| |4.910728|7.599557|6.466223|4.417016|3.693733|3.820275|4.952437|7.398052|12.564964|14.433577|36.858105| |4.624125|6.844690|5.523215|3.963028|3.339570|3.425145|4.308780|6.025741|9.081087|12.541537|17.665035|0.500000| |7.461323|12.311911|7.695356|5.180063|3.974341|3.796858|4.523379|6.678462|7.446730|9.255212|12.306769|0.245155|36.858105| |6.641350|9.036241|7.560590|5.388336|4.213273|4.024955|4.727822|6.696615|6.859735|8.809630|8.907272|0.174601|17.484853|0.500000| |6.386106|7.221327|4.876530|3.825579|3.071610|2.913621|3.306175|4.329913|4.835101|6.893884|7.373969|0.186432|12.281650|0.248248|36.858105| |6.969866|6.524449|4.582844|3.810695|3.040390|2.810480|3.078468|3.900988|4.065342|5.903936|5.471838|0.137637|8.882102|0.225202|17.588602|0.500000| |4.224031|4.743623|3.756173|3.059267|2.601815|2.554231|2.922027|3.639929|4.295333|6.578927|6.342653|0.160069|7.310652|0.183335|12.226731|0.245694|36.858105| |3.806402|4.053602|3.219700|2.703044|2.318504|2.262035|2.541050|3.086768|3.554611|5.599653|4.923495|0.134376|5.519188|0.137187|9.072715|0.209000|17.572560|0.500000| |3.611583|3.856635|3.299510|2.805812|2.447868|2.408683|2.700733|3.224070|3.643764|5.746252|4.748094|0.115563|5.439324|0.160869|7.114826|0.192180|12.397144|0.257346|36.858105| |3.625948|3.640957|3.089501|2.702092|2.347080|2.266852|2.480639|2.924439|3.173167|4.995494|3.991955|0.099816|4.804367|0.141963|6.511835|0.202329|8.889386|0.229039|17.674346|0.500000| |2.810968|3.002232|2.668026|2.318072|2.083651|2.085437|2.330876|2.686635|3.068490|5.094089|3.796751|0.096477|3.930682|0.112972|4.745915|0.125593|7.444256|0.196673|12.344265|0.252800|36.858105| |2.538568|2.628208|2.371789|2.114517|1.918938|1.908143|2.091376|2.361894|2.613415|4.362674|3.104667|0.079583|3.283193|0.095833|3.884710|0.108502|5.328126|0.148101|8.248974|0.224828|15.518815|73.516695| |2.585642|2.848124|2.562674|2.206036|2.005749|2.043201|2.319912|2.659274|3.147386|5.404562|3.881517|0.101132|3.693504|0.102619|4.252659|0.106442|6.485674|0.173219|7.487570|0.158599|13.581459|14.314085|36.858105| |2.795153|3.209131|2.852004|2.389104|2.157578|2.218532|2.579616|3.020945|3.767506|6.528523|4.883639|0.130566|4.266747|0.112839|4.800249|0.111897|7.352801|0.186946|6.494693|0.136552|7.678324|9.296721|13.286412|36.858105| |3.583354|4.316834|3.624910|2.904474|2.538974|2.581610|3.055241|3.786709|4.911384|7.919922|7.536158|0.197690|6.385788|0.156273|7.436276|0.152707|12.423501|0.251573|7.494930|0.153337|6.439337|8.116418|7.367748|12.290424|36.858105| |3.830670|5.017342|4.501979|3.437918|3.021571|3.163417|3.948090|5.098399|7.524056|11.689187|12.573206|0.247515|7.865226|0.201869|6.668953|0.141624|7.844031|0.157967|6.068638|0.128887|4.997651|6.811711|5.398309|7.399788|12.450595|36.858105| |3.360636|4.220896|4.113518|3.266670|2.977122|3.191249|3.982964|4.823836|6.674453|11.324571|7.976380|0.165885|6.007818|0.178479|5.099603|0.119313|6.019216|0.127778|5.704489|0.121536|4.975667|6.941300|5.361792|6.573840|7.943331|15.926461|73.516695| |3.515873|4.241704|3.470925|2.791281|2.433225|2.463437|2.900303|3.586723|4.623156|7.580082|6.900479|0.227102|5.653560|0.128638|6.567078|0.134863|8.041235|0.212138|5.123601|0.118753|4.632181|6.399291|5.283324|8.020421|13.624091|7.984008|9.768019|73.516695| |2.514040|2.900901|2.625493|2.215382|2.028009|2.108590|2.459075|2.829441|3.558316|6.445293|4.391912|0.123637|3.666938|0.095514|3.943408|0.092786|5.280142|0.140971|4.610382|0.104504|5.272261|7.192660|8.043162|15.787460|8.288321|6.104084|9.785794|13.279225|73.516695| |2.148784|2.335187|2.154366|1.895602|1.756558|1.800767|2.020921|2.250323|2.613564|4.617237|3.048379|0.080989|2.875862|0.080282|3.189517|0.082061|4.304979|0.119579|4.851142|0.115091|7.568383|11.535210|12.711607|7.592330|4.828359|3.965400|7.273973|7.058321|11.729974|36.858105| |1.995924|2.194053|2.061535|1.817607|1.705028|1.769653|1.995950|2.192261|2.565380|4.655066|2.908513|0.077775|2.658889|0.074062|2.840983|0.072569|3.658118|0.099622|3.932704|0.093992|5.350361|8.360150|8.038490|6.570467|4.309034|3.756881|7.052735|6.538952|11.895667|15.874118|73.516695| |1.989966|2.107516|1.940225|1.735641|1.609928|1.633532|1.802296|1.991001|2.250795|3.937498|2.594709|0.069418|2.533854|0.070987|2.854881|0.075716|3.717728|0.107456|4.293787|0.109508|6.566155|12.179151|7.824669|5.221935|3.840142|3.201788|5.799246|5.871254|8.275691|13.953149|15.145245|53.358707| |3.622852|3.937500|3.606889|3.089325|2.733875|2.714627|3.046803|3.589553|3.948942|6.187424|4.786141|0.109505|5.484406|0.188029|5.797866|0.162366|7.247276|0.152870|12.313052|0.253370|7.569473|11.154334|5.625582|5.098711|5.775512|6.026695|11.703782|7.344921|6.954569|4.126097|6.339920|4.947220|53.358707| |3.895448|4.510021|4.216195|3.473211|3.060726|3.090219|3.582698|4.340815|4.937096|7.547879|6.053744|0.129573|6.690976|0.245209|6.220786|0.161988|7.304155|0.146190|9.142700|0.187296|6.171031|8.819925|5.269332|5.292769|6.463733|7.955963|16.464910|8.020075|7.337753|3.892634|6.212141|4.527599|25.818372|0.500000| |3.935376|3.967465|3.671623|3.292050|2.882763|2.763366|2.973856|3.450334|3.512140|5.415030|4.049536|0.094742|5.058018|0.180806|5.267614|0.167675|5.466561|0.125617|7.623398|0.220322|5.204999|8.788582|4.012583|3.712888|4.242584|4.448254|8.262832|5.976047|5.391707|3.197179|5.011713|4.049045|17.459508|0.259011|36.858105| |2.845176|3.080643|2.966184|2.620738|2.417619|2.456948|2.736422|3.061870|3.364252|5.577768|3.791127|0.089607|3.960125|0.129166|4.028892|0.111242|4.959905|0.115446|7.344216|0.168943|6.989319|11.513429|5.574195|4.670347|4.588843|4.831595|10.360034|6.106558|6.621719|4.491310|7.018786|5.378166|17.234251|0.265900|7.807080|36.858105| |5.999630|6.373762|4.263543|3.454287|2.796160|2.639737|2.953154|3.771884|4.170017|6.166594|5.947694|0.178380|7.759550|0.159045|13.690282|0.269228|7.910466|0.221530|5.064817|0.135730|3.897020|5.856040|3.670506|4.219824|6.075469|5.143811|7.099450|11.983247|6.553840|2.878112|4.614334|3.566758|5.613463|0.119930|3.854095|3.159815|73.516695| |3.063102|3.859242|5.187589|4.635206|5.336300|8.222304|14.375111|7.925697|6.646020|12.884901|4.364230|0.108036|3.752676|0.108079|2.890205|0.074221|2.675148|0.065188|2.502663|0.063314|2.228149|3.558931|2.264644|2.525935|2.892760|3.737265|6.947946|4.887186|4.368511|2.008170|3.588123|2.421871|3.829532|0.091340|2.674508|2.624927|4.640365|73.516695| |7.945598|13.504281|7.969867|5.638758|4.198388|3.880076|4.446394|6.279678|6.118636|8.243528|7.050296|0.219431|8.037306|0.162365|6.011576|0.142727|4.259434|0.106243|3.348992|0.087476|2.737360|4.252259|2.686917|3.111485|4.149109|4.610859|6.707298|7.994073|5.179936|2.236292|3.776527|2.743819|4.439769|0.101876|3.168538|2.657055|11.515898|6.450762|73.516695| |17.577923|8.808583|6.747675|6.888203|4.641515|3.713541|3.681798|4.535568|3.840610|5.534419|4.090309|0.110340|5.451130|0.138590|4.742612|0.139733|3.426418|0.087947|2.996024|0.083735|2.424019|3.945285|2.261228|2.437472|3.027157|3.236431|5.146390|5.395520|3.976099|1.920012|3.202300|2.435947|4.113443|0.089672|3.273059|2.468506|8.435023|5.252774|12.671876|0.500000| |17.644263|8.902831|5.466534|4.793533|3.545002|3.077400|3.230142|4.090395|3.858093|5.552824|4.626481|0.126446|6.837674|0.160401|7.196639|0.226318|4.558677|0.118819|3.765743|0.107239|2.927451|4.695352|2.678743|2.893029|3.726848|3.746526|5.725825|6.668542|4.608797|2.214428|3.621208|2.811717|4.846677|0.103573|3.802467|2.783729|13.626165|4.799298|12.958747|0.303595|0.500000| |17.545904|8.728151|6.678835|6.406368|4.450269|3.657931|3.696191|4.617028|3.999162|5.679289|4.443589|0.111470|6.730434|0.193389|5.924439|0.197392|4.137754|0.102445|3.769406|0.107489|2.888452|4.709389|2.592964|2.728935|3.421147|3.678700|5.948638|5.723840|4.308526|2.157667|3.543713|2.738356|5.361746|0.115636|4.586085|3.059577|9.043257|5.303260|10.103630|0.301743|0.298963|0.500000| |7.478320|6.851486|8.913116|17.781789|8.933655|5.658231|4.938979|5.613283|4.096945|5.932142|3.847490|0.098339|4.711502|0.134510|3.726922|0.107066|2.939408|0.073457|2.711195|0.074217|2.235650|3.666790|2.102043|2.247919|2.713879|3.086259|5.176261|4.670537|3.693325|1.811670|3.066613|2.284454|3.991913|0.089063|3.215459|2.477533|6.111927|6.538427|9.354460|0.247505|0.147236|0.209805|0.500000| |3.880543|4.061049|5.653484|8.896913|17.713549|9.008309|5.660240|4.952160|3.578486|5.598211|3.071782|0.078529|3.325135|0.097727|2.695598|0.075375|2.312864|0.058093|2.206216|0.059538|1.899814|3.150374|1.821738|1.935689|2.238820|2.595804|4.571371|3.829089|3.244141|1.612926|2.783464|2.031884|3.333125|0.074563|2.621156|2.196642|4.424248|7.645417|6.275840|0.116532|0.088526|0.110598|0.216999|0.500000| |3.060080|3.522709|4.919951|5.608362|8.900572|17.748041|8.944923|5.628286|4.129552|6.958884|3.214544|0.081402|3.149257|0.092549|2.514265|0.067697|2.258196|0.056166|2.159089|0.056648|1.905583|3.127984|1.876532|2.020903|2.297541|2.769305|5.043674|3.906261|3.445026|1.678703|2.953754|2.081791|3.305080|0.075716|2.467412|2.253803|4.091823|13.485047|5.702314|0.086310|0.072987|0.085122|0.124105|0.214550|0.500000| |3.003617|3.567478|3.058036|2.510056|2.237355|2.295296|2.698871|3.234760|4.164464|7.230110|5.628679|0.181921|4.509321|0.107658|4.957147|0.108985|6.077141|0.166057|4.417534|0.103414|4.322869|6.060764|5.285589|8.459395|10.040794|6.768155|9.060602|35.323532|17.253663|4.177881|7.113842|4.634245|4.995614|0.110295|2.988868|3.212073|9.022644|4.664077|6.770871|0.073731|0.087873|0.077263|0.065479|0.055389|0.057614|0.500000| |2.065990|2.157215|1.973330|1.772942|1.635767|1.645568|1.803141|1.998901|2.231783|3.847706|2.586802|0.068684|2.597317|0.073391|2.979170|0.080624|3.890956|0.113638|4.734978|0.125227|7.534968|16.489514|7.376819|4.837730|3.784062|3.153696|5.687975|5.721327|7.345536|9.370810|10.983343|26.051898|5.333663|0.096347|3.248710|4.228938|4.812409|3.133436|3.626322|0.051385|0.059823|0.058544|0.047926|0.042229|0.042688|0.089653|0.500000| |1.808491|1.911199|1.781857|1.607978|1.505410|1.533056|1.683107|1.836212|2.060301|3.640915|2.325239|0.062380|2.258161|0.063464|2.492139|0.066448|3.126911|0.089436|3.550219|0.091874|4.982299|9.432254|5.755499|4.273971|3.257653|2.818419|5.168314|5.099622|7.130561|9.564572|14.070748|26.026481|4.287137|0.081090|2.644119|3.496885|4.103639|2.976774|3.262725|0.045592|0.051855|0.050825|0.043190|0.038955|0.040149|0.082831|0.311772|0.500000| |4.933753|4.732715|4.152712|3.700416|3.109724|2.895860|3.093560|3.693306|3.675682|5.501478|4.346343|0.102239|6.001865|0.215830|6.457454|0.230679|5.883492|0.135310|7.150791|0.218939|4.671787|7.709273|3.706388|3.574197|4.307291|4.462114|7.774044|6.258015|5.243303|2.940796|4.630472|3.735851|12.272837|0.217797|17.675709|5.628814|8.067688|4.817210|6.452172|0.109335|0.132720|0.167287|0.102585|0.078190|0.070712|0.085039|0.082731|0.067746|0.500000| |3.392902|3.318887|3.065208|2.818800|2.508819|2.402984|2.547609|2.887864|2.943334|4.652010|3.359518|0.081456|4.044175|0.133894|4.425878|0.142203|4.758667|0.116905|6.875802|0.225561|5.208986|9.674549|3.872122|3.426246|3.722889|3.709105|6.850007|5.373438|5.016692|3.179026|4.914766|4.175758|12.405200|0.181573|17.648782|7.163219|6.116129|4.137846|4.891965|0.080375|0.093462|0.108445|0.077761|0.064571|0.060565|0.075813|0.095526|0.075912|0.300029|0.500000| |3.729498|3.809363|3.761226|3.459882|3.105674|2.993047|3.178218|3.584617|3.529293|5.477527|3.831396|0.088903|4.620219|0.169923|4.393342|0.134637|4.395793|0.102444|5.550445|0.152617|4.232782|7.219632|3.481237|3.287634|3.700274|4.105112|7.954835|5.337376|4.918190|2.879514|4.640882|3.633520|12.322985|0.225955|17.634837|7.201342|5.948330|5.073819|5.375040|0.088262|0.096518|0.122114|0.092683|0.078613|0.074536|0.075311|0.079606|0.067206|0.299837|0.299080|0.500000| |2.665454|2.955573|2.850161|2.487224|2.312568|2.391211|2.711949|3.026241|3.454934|5.903532|3.900813|0.093020|3.817953|0.119562|3.859087|0.102102|4.944114|0.115628|6.748402|0.146898|7.426927|11.249580|6.797443|5.587040|5.047512|5.307173|12.040459|6.566652|7.843139|5.475687|8.703170|6.085806|12.299235|0.231560|5.664687|17.705662|5.506697|4.729579|4.655491|0.064734|0.072823|0.077636|0.064705|0.058128|0.061219|0.098282|0.127266|0.109395|0.126280|0.144644|0.147238|0.500000| |2.790604|3.025424|3.030658|2.722320|2.558786|2.621865|2.895527|3.161034|3.373757|5.616981|3.608933|0.084572|3.762072|0.126175|3.620459|0.100891|4.131944|0.096997|5.468388|0.133465|5.016627|8.503043|4.313478|3.860295|3.907253|4.373614|9.629624|5.416478|5.740085|3.669836|6.002847|4.461489|12.395327|0.231151|7.361691|17.638309|5.113716|4.955406|4.588117|0.067986|0.074195|0.084372|0.070918|0.064697|0.067208|0.079485|0.095820|0.083087|0.147818|0.181059|0.227287|0.299641|0.500000| |2.612115|2.741886|2.611300|2.354048|2.175981|2.186334|2.388248|2.643901|2.855628|4.759845|3.213301|0.078328|3.412227|0.108074|3.617495|0.102674|4.438282|0.109277|6.717656|0.171703|7.134418|14.030152|5.304848|4.184076|3.980803|3.941127|7.944871|5.501971|6.021915|4.514451|6.853122|5.772471|12.252484|0.183432|7.016518|17.719112|5.201223|4.073313|4.260758|0.063535|0.072042|0.078277|0.062859|0.055696|0.056177|0.081012|0.131933|0.104433|0.143130|0.212957|0.173254|0.299038|0.296938|0.500000| |4.964871|5.717948|4.040760|3.240654|2.681278|2.587491|2.946761|3.752734|4.355075|6.578568|6.380627|0.213117|6.986715|0.142865|9.832264|0.190564|7.469710|0.211676|4.695354|0.120684|3.818953|5.648228|3.789319|4.601198|6.814286|5.526615|7.353110|16.031342|7.360365|2.980223|4.836370|3.632338|5.225311|0.113653|3.454478|3.037374|35.615156|4.713855|11.407178|0.114854|0.162761|0.117567|0.087720|0.066070|0.063008|0.177423|0.075236|0.065355|0.108409|0.086062|0.084802|0.084929|0.076719|0.077658|0.500000| |3.028098|3.897014|4.949046|4.173508|4.461476|6.079251|10.108782|7.775975|8.014853|18.653954|4.937985|0.122226|3.953341|0.111615|3.041109|0.076491|2.864126|0.069403|2.644239|0.065915|2.370942|3.739757|2.452034|2.790522|3.202126|4.259125|7.935581|5.418243|4.877565|2.166291|3.899160|2.579391|4.005908|0.096691|2.715899|2.749121|4.881305|35.387864|6.664617|0.079877|0.075352|0.081031|0.094031|0.101554|0.153271|0.081450|0.051781|0.049425|0.076031|0.065571|0.079317|0.078876|0.080055|0.066140|0.078715|0.500000| |7.293681|9.788865|7.506712|5.951507|4.439431|3.992114|4.377824|5.782252|5.194741|7.355477|5.377916|0.163100|5.929233|0.132741|4.711793|0.118589|3.527177|0.089909|2.892753|0.076709|2.415057|3.816836|2.370376|2.698126|3.442023|3.797706|5.760127|6.596582|4.551004|2.012851|3.421438|2.493730|3.886513|0.087968|2.830345|2.381533|9.053579|6.304452|35.711420|0.212976|0.179822|0.146730|0.158095|0.104854|0.091884|0.090231|0.051482|0.046713|0.089306|0.069213|0.076206|0.065020|0.064981|0.060227|0.139301|0.099405|0.500000| 1627.333531 -11465.625296 4597.666764 -210.715075 -5451.340076 3821.665287 -1629.674789 2.001439 3D82940000000003 45010580A8777105 44820196E938887C 41B07626FEFFFFFF BFF0000000000003 42C8E6DDB3D6A97F