Version2.1 2021-01-11T16:53:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C4=c5ccccc5=[NH+]C4 C63830750 RHF 6-31G(d) (6D,7F) c1ccc(cc1)[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C4=c5ccccc5=[NH+]C4 C01[X(C25H25N2O4S1)] 165 C1 534 O=S(=O)(c1ccc2c(c1)OCCCO2)NC[C@@H](C1=c2ccccc2=[NH+]C1)c1ccccc1 O=S(=O)(c1ccc2c(c1)OCCCO2)NC[C@@H](C1=c2ccccc2=[NH+]C1)c1ccccc1 O=[S](=O)(NC[C@@H](C1=C2C=CC=CC2=[NH+]C1)c3ccccc3)c4ccc5OCCCOc5c4 InChIKey=FRDHWJCOXMHNNL-OAQYLSRUSA-O InChI=1S/C25H24N2O4S/c28-32(29,19-11-12-24-25(15-19)31-14-6-13-30-24)27-17-21(18-7-2-1-3-8-18)22-16-26-23-10-5-4-9-20(22)23/h1-5,7-12,15,21,27H,6,13-14,16-17H2/p+1/t21-/m1/s1 InChI=1/C25H24N2O4S/c28-32(29,19-11-12-24-25(15-19)31-14-6-13-30-24)27-17-21(18-7-2-1-3-8-18)22-16-26-23-10-5-4-9-20(22)23/h1-5,7-12,15,21,27H,6,13-14,16-17H2/p+1/t21-/m1/s1/fC25H25N2O4S/h26H/q+1 c1ccc(cc1)[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C4=c5ccccc5=[NH+]C4 C01[X(C25H25N2O4S1)] 165 C01 534 O=S(=O)(c1ccc2c(c1)OCCCO2)NC[C@@H](C1=c2ccccc2=[NH+]C1)c1ccccc1 O=S(=O)([C]1[CH][CH][C]2[C]([CH]1)OCCCO2)NC[C@@H](C1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1)[C]1[CH][CH][CH][CH][CH]1 O=[S](=O)(NC[C@H]([C]1[CH][CH][CH][CH][CH]1)C2=C3C=CC=C[C]3NC2)[C]4[CH][CH][C]5OCCCO[C]5[CH]4 InChIKey=QRCMWXQNEXWPDP-OAQYLSRUSA-N InChI=1S/C25H25N2O4S/c28-32(29,19-11-12-24-25(15-19)31-14-6-13-30-24)27-17-21(18-7-2-1-3-8-18)22-16-26-23-10-5-4-9-20(22)23/h1-5,7-12,15,21,26-27H,6,13-14,16-17H2/t21-/m1/s1 InChI=1/C25H25N2O4S/c28-32(29,19-11-12-24-25(15-19)31-14-6-13-30-24)27-17-21(18-7-2-1-3-8-18)22-16-26-23-10-5-4-9-20(22)23/h1-5,7-12,15,21,26-27H,6,13-14,16-17H2/t21-/m1/s1 3366.5200756264 -1766.8231566 1-A 16882.8785 118 416 534 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12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 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 10680.1301 21933.0357 28666.9511 0.99993 -0.01170 0.00114 0.01169 0.99989 0.00957 -0.00125 -0.00956 0.99995 1 0.00811 0.00395 0.00302 0.16898 0.08228 0.06296 3.91 14.81 24.59 28.37 52.77 68.19 77.92 98.31 119.85 184.14 190.71 209.44 240.69 265.39 284.67 297.56 323.75 358.58 367.92 381.74 385.28 414.61 443.09 496.19 530.43 554.98 576.95 604.25 633.64 654.55 682.64 697.64 713.10 756.45 759.17 769.17 782.80 808.85 821.30 831.24 861.98 878.80 907.66 934.27 937.82 966.29 977.98 1004.17 1030.25 1059.95 1107.11 1132.67 1155.97 1159.98 1196.23 1198.57 1219.22 1233.78 1263.34 1305.51 1345.57 1364.18 1368.60 1378.87 1383.84 1407.33 1442.40 1474.18 1491.99 1511.38 1512.08 1519.61 1528.16 1536.33 1565.90 1577.70 1594.65 1599.79 1614.97 1629.70 1638.65 1644.21 1647.85 1666.19 1695.74 1706.83 1715.95 1717.34 1738.48 1761.95 1769.70 1787.60 1807.89 1823.83 1828.56 1850.18 1868.21 1881.91 1886.46 1890.72 1916.81 1918.51 1924.87 1962.74 1967.11 2012.61 2034.52 2048.54 2053.69 2056.82 2101.70 2106.12 2119.89 2149.44 2171.64 2195.58 2196.88 2208.54 2239.32 2254.57 2255.35 2275.25 2275.50 2297.67 2319.48 2319.88 2331.15 2362.82 2377.88 2385.39 2395.62 2407.41 2423.73 2497.06 2540.95 2546.90 2566.25 2587.17 2597.88 2654.34 4624.96 4632.46 4639.75 4662.03 4664.01 4690.58 4701.08 4734.73 4745.77 4761.30 4770.34 4832.56 4838.57 4863.47 4877.72 4878.53 4887.44 4893.94 4895.26 4906.18 4910.88 4919.99 4922.00 5444.00 5571.26 0.498049 0.523561 0.524505 0.435900 -1766.325107 -1766.299596 -1766.298651 -1766.387257 2.971860D-04 MUNgauss RevisionA2.0 retrievium 11-Jan-2021 DUDE c1ccc(cc1)[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C4=c5ccccc5=[NH+]C4 C63830750 RHF 6-31G(d) (6D,10F) C1 449.153504 |X|Y|Z| 68.944639 104.373578 35.149705 63.241804 30 6 7 8 16 25 2 2 1 |36.858105| |13.750179|36.858105| |7.936520|13.754337|36.858105| |6.826046|7.894865|13.698949|36.858105| |7.928452|6.881100|7.956097|13.684252|36.858105| |13.755047|7.953594|6.889389|7.895634|13.740485|36.858105| |4.412889|5.014784|7.580202|12.477865|7.446340|4.975587|36.858105| |4.014272|4.821391|7.385898|8.970955|5.633739|4.218509|17.590521|0.500000| |3.677126|3.867208|5.049395|7.368633|6.254231|4.335632|12.326727|0.250102|36.858105| |3.654218|3.836180|4.815744|6.320817|5.591944|4.196609|7.804952|0.203730|13.143519|53.358707| |2.846436|2.909344|3.402401|4.094837|3.923061|3.215878|4.780722|0.129780|7.148904|15.612319|388.023441| |2.833491|2.851165|3.197493|3.676178|3.638893|3.151859|3.907445|0.107529|5.077651|10.614928|94.939253|73.516695| |2.616425|2.613092|3.009834|3.685107|3.691996|3.023478|4.332957|0.111644|6.649349|10.302758|94.634538|13.595549|73.516695| |2.439956|2.580370|3.037664|3.452253|3.133658|2.638717|4.200595|0.124369|5.527820|9.652312|76.858417|12.933608|13.085873|36.858105| |2.383938|2.568929|2.993566|3.233241|2.884215|2.499109|3.772385|0.117208|4.445784|7.808256|49.670783|11.141662|8.780470|13.722841|36.858105| |2.094919|2.272408|2.618960|2.756742|2.454534|2.162629|3.206518|0.100576|3.585770|5.701213|33.817768|7.723276|6.820265|7.996446|13.816994|36.858105| |1.918477|2.065939|2.378670|2.532806|2.272918|1.995568|3.003147|0.092464|3.381824|5.025004|29.951969|6.525587|6.584489|6.901478|7.913082|13.702679|36.858105| |1.947517|2.071673|2.399865|2.633395|2.389361|2.064935|3.203787|0.095745|3.788849|5.426232|33.728201|6.837431|7.922701|7.949725|6.826817|7.906796|13.673429|36.858105| |2.172869|2.288095|2.676965|3.038723|2.780699|2.351965|3.767555|0.109695|4.858212|7.158381|49.717223|8.915984|11.707528|13.760362|7.890443|6.880363|7.936712|13.754298|36.858105| |1.771444|1.872687|2.148695|2.352351|2.158501|1.879141|2.841792|0.083290|3.286589|4.466508|26.718028|5.536308|6.743580|5.265350|4.598496|5.203466|7.922427|14.071962|8.104180|73.516695| |1.578074|1.655657|1.864227|2.014291|1.877553|1.664959|2.354705|0.068442|2.674191|3.691327|22.242554|4.850874|5.646702|4.121690|3.804734|4.384365|6.275717|8.023705|5.559871|23.897140|36.858105| |1.490435|1.576194|1.764226|1.867737|1.728244|1.550358|2.153379|0.063559|2.365419|3.292602|19.208189|4.321525|4.709620|3.521821|3.509809|4.306003|6.123357|6.135331|4.317559|13.895158|12.539229|36.858105| |1.549371|1.649566|1.845208|1.931560|1.774673|1.598604|2.208071|0.066212|2.408381|3.455827|20.196897|4.646596|4.746925|3.827087|4.115525|5.547392|8.020086|6.298051|4.401436|11.179541|7.492539|12.539852|36.858105| |1.727218|1.863308|2.116960|2.210790|1.991559|1.776095|2.570923|0.078966|2.787263|4.030107|23.082953|5.211510|5.239668|4.639014|5.265743|8.110754|14.135626|7.949674|5.225558|11.982262|6.274594|7.794017|13.424284|73.516695| |3.754560|4.165023|5.672948|7.558267|5.690842|4.171404|12.617933|0.252042|7.659411|6.909026|26.491475|5.481488|6.492328|3.455580|3.097806|2.772289|2.712866|2.940999|3.337550|4.858108|2.272409|2.078534|2.081250|4.246412|36.858105| |3.016301|3.363602|4.334525|5.053854|4.054148|3.226818|7.403933|0.195473|5.726218|5.673876|23.610212|4.886469|5.844995|3.308747|2.994798|2.787559|2.816249|3.068237|3.349152|5.209566|2.410934|2.217566|2.190005|4.486206|14.031055|36.858105| |2.631055|2.968383|3.757621|4.132254|3.337887|2.747608|5.849323|0.180809|5.004099|5.407001|23.524331|4.853893|5.688294|3.569864|3.296824|3.184048|3.295989|3.560311|3.716231|6.070825|2.740748|2.552125|2.521191|5.294868|7.426719|13.194383|36.858105| |2.248573|2.499681|3.022096|3.227682|2.731447|2.327214|4.160929|0.124385|3.763794|4.275354|19.666270|4.153345|4.851834|3.029630|2.837447|2.842034|3.035627|3.266429|3.255880|5.859251|2.701946|2.555701|2.468177|5.081431|5.134953|7.955173|14.202223|36.858105| |2.130295|2.326640|2.739346|2.927375|2.559531|2.213017|3.594905|0.101744|3.261679|3.690373|17.147743|3.678563|4.335404|2.547447|2.372563|2.355684|2.502595|2.705723|2.728965|4.944759|2.359153|2.225063|2.122378|4.232001|4.646782|6.883953|7.865885|13.171713|36.858105| |2.287615|2.468103|2.893169|3.145212|2.791928|2.403846|3.796532|0.102320|3.378221|3.724193|17.019490|3.662205|4.360020|2.430942|2.240289|2.174085|2.268289|2.463772|2.559613|4.442319|2.140057|1.996371|1.915103|3.784609|5.284523|7.654231|6.608186|7.707259|14.054517|36.858105| |2.731484|2.956786|3.579390|4.052128|3.519284|2.921979|5.087797|0.130257|4.277797|4.463216|19.527085|4.149730|4.986660|2.703514|2.460388|2.324509|2.376806|2.591037|2.781739|4.540080|2.160566|1.994086|1.940043|3.873709|8.404501|13.202466|7.642769|6.817062|8.078865|13.455945|36.858105| |3.004459|3.160435|3.743683|4.347414|3.962107|3.287758|5.054369|0.121119|4.227389|4.396083|19.049186|4.105294|4.918253|2.529817|2.295873|2.134353|2.150094|2.337107|2.553217|4.059528|1.961992|1.805553|1.765782|3.489431|8.263031|8.448168|5.292513|4.656305|5.259104|7.720053|14.493253|53.358707| |2.778831|2.864895|3.261182|3.687366|3.506296|3.026057|4.054824|0.099086|3.532035|3.816475|16.975755|3.718009|4.419993|2.251827|2.055661|1.923923|1.943430|2.105578|2.281156|3.693276|1.812307|1.673585|1.630086|3.184514|5.820600|5.920511|4.233365|3.949724|4.641317|6.813271|9.271067|26.015172|0.500000| |3.801084|3.968389|4.897431|6.276671|5.666298|4.344662|7.164177|0.152706|5.485317|5.418798|22.136707|4.750226|5.639039|2.814864|2.537172|2.293924|2.258901|2.447116|2.748667|4.135149|1.988042|1.821389|1.807181|3.599494|12.695975|8.214462|5.079309|4.103202|4.153064|5.196642|8.364747|17.922820|0.244126|36.858105| |17.731669|8.910480|5.644934|4.928701|5.641973|8.914543|3.533536|0.091287|3.060703|4.191678|17.817096|4.511307|4.129930|2.173695|2.140994|1.902776|1.747193|1.765117|1.950037|2.872168|1.454683|1.380913|1.435886|2.822329|3.115867|2.593555|2.300125|2.006076|1.918023|2.052722|2.399102|3.579026|0.068878|3.200670|0.500000| |8.911486|17.728690|8.930520|5.631667|4.957141|5.651281|4.100304|0.114632|3.259328|4.461018|18.367636|4.551938|4.122588|2.357125|2.392755|2.155092|1.957370|1.937446|2.103685|3.125834|1.567168|1.508246|1.585736|3.178636|3.549627|3.009864|2.732506|2.348204|2.190143|2.297482|2.684009|3.839236|0.071950|3.381051|0.214627|0.500000| |5.651198|8.941892|17.701132|8.899241|5.647796|4.959366|7.069899|0.226039|4.696464|6.134714|23.221151|5.410185|5.083649|3.070351|3.100554|2.766575|2.505973|2.488508|2.721288|3.952143|1.920954|1.837955|1.934587|3.994660|5.547907|4.548701|4.131575|3.295220|2.915671|3.006781|3.657843|4.969825|0.087804|4.514483|0.124283|0.216319|0.500000| |5.657750|4.955918|5.638189|8.852099|17.708007|8.972544|6.838633|0.140839|6.861010|7.915424|30.091915|6.798943|7.477203|3.247710|2.889268|2.445844|2.294930|2.463125|2.919595|3.979557|1.944260|1.764963|1.794707|3.552120|5.550203|4.004432|3.280951|2.706358|2.557486|2.806725|3.535361|5.478259|0.099576|5.724424|0.124490|0.107590|0.123748|0.500000| |8.913512|5.651173|4.961399|5.632142|8.930806|17.727847|4.062259|0.096910|3.784973|5.031011|21.278154|5.295239|5.132299|2.437853|2.294756|1.995442|1.854100|1.927781|2.194104|3.142918|1.581347|1.468638|1.507560|2.945280|3.556378|2.839604|2.441931|2.107494|2.028066|2.206949|2.637789|4.063657|0.078066|3.813156|0.214751|0.124153|0.107648|0.217513|0.500000| |3.650667|3.641657|4.495861|6.599353|6.647186|4.538425|8.689892|0.174187|17.574015|12.259427|44.794314|8.361979|12.178403|4.621719|3.722871|3.072901|2.951885|3.343398|4.243290|5.328309|2.494027|2.189393|2.197526|4.407169|6.850067|5.096097|4.260344|3.372270|3.062377|3.270392|4.149220|5.904251|0.102594|5.752085|0.085119|0.084852|0.112070|0.236644|0.113998|0.500000| |3.076751|3.268542|4.159944|5.453387|4.673291|3.500635|8.859209|0.218141|17.617382|12.598048|48.886481|8.288602|12.136731|6.215040|4.728221|3.914130|3.852136|4.531546|5.971068|7.002673|3.076930|2.667188|2.674189|5.554247|7.186223|6.256633|5.887276|4.352652|3.648295|3.669274|4.543906|5.752516|0.097732|5.044890|0.073006|0.079086|0.113276|0.140486|0.086974|0.304366|0.500000| |4.227570|4.319797|5.257667|6.892548|6.542916|4.954949|6.955438|0.176845|9.131060|25.865167|61.539126|13.951825|11.014752|5.493133|4.862721|3.655887|3.187896|3.347396|4.205151|5.006448|2.396877|2.170294|2.288834|4.674167|4.583859|3.692983|3.443883|2.784356|2.457129|2.511166|3.002496|4.135361|0.074300|3.799935|0.097758|0.100414|0.129851|0.183076|0.119956|0.212881|0.180065|0.500000| |2.548530|2.752295|3.169755|3.357803|3.005568|2.643195|3.739327|0.116217|4.271386|7.944724|47.283178|12.411012|8.058079|8.890394|17.751250|8.920866|5.632613|4.930735|5.626474|6.493202|3.146264|2.967094|3.461199|7.555879|2.993561|2.824371|3.030371|2.600739|2.206408|2.110611|2.335505|3.012542|0.055246|2.479480|0.063666|0.071420|0.090705|0.082265|0.067170|0.100108|0.118708|0.147022|0.500000| |2.012377|2.195965|2.494878|2.556901|2.278034|2.043881|2.890133|0.091101|3.108931|4.902404|27.832436|6.714111|5.704149|5.658536|8.900559|17.743984|8.986213|5.653002|4.958383|7.493184|3.769394|3.933377|5.283873|13.309352|2.517874|2.533565|2.882393|2.611770|2.185403|2.016295|2.139390|2.684264|0.049697|2.110387|0.051197|0.058699|0.073905|0.062280|0.052415|0.074922|0.091847|0.090559|0.213425|0.500000| |2.142731|2.223863|2.588496|2.997408|2.804326|2.356362|3.727025|0.104014|4.974241|6.826567|47.161056|8.282403|13.588361|8.881722|5.620101|4.959554|5.656302|8.968028|17.762663|13.225387|5.283413|3.934452|3.776497|7.501413|3.406947|3.413376|3.672222|3.247310|2.789651|2.654636|2.890502|3.638439|0.066556|2.861439|0.053444|0.056422|0.071997|0.083768|0.061648|0.127055|0.174543|0.112293|0.123729|0.107682|0.500000| |1.570535|1.635333|1.828865|1.981818|1.868186|1.663286|2.287520|0.065962|2.636256|3.722123|23.278368|5.161561|5.939020|4.283116|3.923358|4.406075|5.948731|7.434579|5.659249|16.505535|17.541127|8.803737|6.804813|9.934760|2.174443|2.259580|2.510862|2.432818|2.147375|1.982990|2.027143|2.543824|0.048090|1.916381|0.040315|0.042928|0.051918|0.053981|0.044115|0.068886|0.082953|0.067584|0.090485|0.104865|0.149808|0.500000| |1.506817|1.572755|1.763483|1.910591|1.794283|1.594454|2.226783|0.063916|2.515587|3.395205|20.130610|4.391353|5.262371|3.529057|3.207382|3.553968|4.714643|5.928608|4.651172|16.982748|17.634654|8.864092|5.487574|8.438404|2.192760|2.344482|2.640169|2.654595|2.367006|2.149586|2.142172|2.648507|0.050277|1.946188|0.038675|0.041339|0.050266|0.051876|0.042261|0.066239|0.080341|0.061638|0.075605|0.086736|0.131626|0.301445|0.500000| |1.379323|1.449874|1.606278|1.694636|1.583784|1.433255|1.925465|0.056328|2.105686|2.933281|17.120349|3.923577|4.240139|3.019495|3.011499|3.580463|4.674747|4.680782|3.587762|10.101349|8.936854|17.521107|8.947064|10.089875|1.866040|1.978126|2.237467|2.253261|2.003016|1.814250|1.804954|2.245259|0.042816|1.659735|0.035707|0.038656|0.046258|0.044984|0.037939|0.054830|0.065035|0.054394|0.072582|0.093346|0.093367|0.212111|0.215966|0.500000| |1.482253|1.576296|1.770124|1.865275|1.713403|1.535799|2.162497|0.064142|2.334196|3.188780|18.059581|4.034950|4.432941|3.255862|3.245490|3.943823|5.458142|5.465231|3.951622|12.672244|8.912161|17.560209|8.912204|12.630627|2.120567|2.304155|2.700654|2.771475|2.399903|2.115050|2.080882|2.533574|0.047918|1.854951|0.038118|0.042006|0.051579|0.048407|0.040282|0.059848|0.073466|0.058367|0.077018|0.101481|0.101371|0.173539|0.214439|0.301813|0.500000| |1.541077|1.628919|1.809920|1.900163|1.763549|1.594911|2.148105|0.063882|2.373290|3.473337|20.895726|4.908874|4.892094|3.944480|4.275960|5.638827|7.421662|5.965963|4.422770|9.943218|6.804416|8.807192|17.543410|16.509244|2.000254|2.069383|2.333639|2.252901|1.959149|1.795077|1.836586|2.303386|0.043498|1.748221|0.039773|0.043428|0.052264|0.049711|0.041974|0.060556|0.072337|0.064344|0.100596|0.149296|0.105175|0.202066|0.139986|0.212447|0.173574|0.500000| |1.465588|1.564284|1.736953|1.795684|1.649648|1.499610|2.027647|0.060941|2.167923|3.099062|17.702842|4.142630|4.151882|3.225891|3.529839|4.649533|5.935520|4.728966|3.566150|8.456570|5.487694|8.863942|17.642027|16.998105|1.922717|2.027764|2.330684|2.309075|2.001494|1.802686|1.812370|2.248087|0.042554|1.682123|0.037918|0.042098|0.050814|0.046046|0.039307|0.055145|0.066014|0.057754|0.085564|0.131929|0.086874|0.139962|0.123610|0.216166|0.214496|0.301493|0.500000| |2.684831|3.067379|3.941260|4.288370|3.389780|2.784650|6.209720|0.215459|5.438343|6.157907|26.499431|5.410862|6.143553|4.213896|3.961283|3.827414|3.903258|4.131417|4.296175|6.732868|2.974063|2.784641|2.816377|6.124919|6.563467|8.699914|17.745452|9.033223|5.588812|4.815107|5.494539|5.834958|0.098075|4.425544|0.064995|0.078589|0.123126|0.091667|0.068324|0.121334|0.180891|0.106302|0.099776|0.095120|0.112878|0.075704|0.077654|0.066844|0.081337|0.072175|0.071777|0.500000| |2.057697|2.286113|2.721384|2.854100|2.440110|2.111356|3.579192|0.109288|3.336644|3.958186|18.744291|3.999466|4.581489|2.988496|2.857002|2.959387|3.233287|3.417182|3.258202|6.239300|2.886384|2.794045|2.687415|5.571089|4.103578|5.626827|9.048894|17.757998|8.769292|5.585576|4.928517|5.021191|0.089923|3.356090|0.051463|0.060389|0.082961|0.067061|0.053430|0.082846|0.107078|0.071746|0.072054|0.076129|0.088593|0.070907|0.078549|0.067871|0.086173|0.066879|0.070331|0.215869|0.500000| |1.907593|2.069485|2.386567|2.514752|2.236982|1.969326|2.994301|0.085081|2.776169|3.232294|15.367611|3.340068|3.894819|2.301859|2.165127|2.182504|2.341031|2.512350|2.483774|4.679604|2.279363|2.177189|2.056050|4.041212|3.681868|4.959098|5.657095|8.799709|17.723042|9.093253|5.704160|5.715649|0.108474|3.398713|0.048259|0.054705|0.070420|0.062166|0.050613|0.073098|0.085566|0.060280|0.055953|0.056737|0.070424|0.057327|0.064217|0.054886|0.065934|0.052471|0.054351|0.124085|0.215597|0.500000| |2.127605|2.262544|2.584016|2.783006|2.540216|2.232496|3.221279|0.086007|2.918175|3.283899|15.244320|3.326662|3.937449|2.157357|1.996083|1.941603|2.024471|2.191099|2.268929|3.981798|1.955627|1.830549|1.748991|3.407295|4.288400|5.494694|4.815880|5.520174|8.945810|17.753556|8.755963|9.236551|0.192602|4.541924|0.053670|0.058898|0.073700|0.071257|0.057683|0.080211|0.086500|0.062361|0.052550|0.050351|0.065673|0.050597|0.055015|0.046704|0.053766|0.045735|0.045980|0.105219|0.123136|0.216774|0.500000| |3.728995|3.689641|4.376084|5.846342|6.002665|4.517198|6.414233|0.133947|5.688674|5.563675|23.161723|4.952504|6.112437|2.840166|2.510296|2.243886|2.212513|2.427924|2.776771|4.108844|1.985052|1.797407|1.775411|3.501870|8.846519|6.208324|4.285085|3.557883|3.598651|4.381188|6.303343|12.347997|0.205444|17.554365|0.087905|0.086710|0.108750|0.188025|0.114225|0.185348|0.142032|0.109305|0.068142|0.056999|0.081892|0.053645|0.054180|0.045688|0.050422|0.048091|0.045692|0.107337|0.083063|0.084114|0.110335|0.500000| |4.435786|4.638007|5.567116|6.701766|6.132767|4.948839|6.377009|0.141624|4.692811|4.982693|20.299187|4.494361|5.055326|2.572952|2.373822|2.149923|2.089161|2.220338|2.468831|3.730602|1.817315|1.685247|1.687757|3.355355|8.880060|6.242755|4.302319|3.568897|3.608656|4.393808|6.327971|12.344996|0.205503|17.575868|0.102560|0.108397|0.137776|0.158503|0.117774|0.134359|0.116383|0.100771|0.065556|0.055676|0.070322|0.048884|0.049247|0.042876|0.047605|0.045497|0.043960|0.107709|0.083272|0.084305|0.110555|0.301008|0.500000| 1764.725921 -10853.027445 4165.153566 -210.195564 -5133.343523 3366.520318 -1766.823205 2.001188 40DE180000000005 44C8070BC6D0CCDF 4449F42AF728D4A7 4296B01584E50002 37B16C2614EA0800 44DE449AE594F1F9