Version2.1 2021-01-15T09:33:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)[C@@H](CNC(=O)c1c2c(n(n1)[C@@H]3CCS(=O)(=O)C3)CCCC2)c4ccccc4 C40988326 RHF 6-31G(d) (6D,7F) CC[NH+](CC)[C@@H](CNC(=O)c1c2c(n(n1)[C@@H]3CCS(=O)(=O)C3)CCCC2)c4ccccc4 C01[X(C24H35N4O3S1)] 195 C1 554 CC[NH+]([C@H](c1ccccc1)CNC(=O)c1nn(c2c1CCCC2)[C@@H]1CCS(=O)(=O)C1)CC CC[NH+]([C@H](c1ccccc1)CNC(=O)c1nn(c2c1CCCC2)[C@@H]1CCS(=O)(=O)C1)CC CC[NH+](CC)[C@@H](CNC(=O)c1nn([C@@H]2CC[S](=O)(=O)C2)c3CCCCc13)c4ccccc4 InChIKey=VUVGQWKJVFNODB-KNQAVFIVSA-O InChI=1S/C24H34N4O3S/c1-3-27(4-2)22(18-10-6-5-7-11-18)16-25-24(29)23-20-12-8-9-13-21(20)28(26-23)19-14-15-32(30,31)17-19/h5-7,10-11,19,22H,3-4,8-9,12-17H2,1-2H3,(H,25,29)/p+1/t19-,22+/m1/s1 InChI=1/C24H34N4O3S/c1-3-27(4-2)22(18-10-6-5-7-11-18)16-25-24(29)23-20-12-8-9-13-21(20)28(26-23)19-14-15-32(30,31)17-19/h5-7,10-11,19,22H,3-4,8-9,12-17H2,1-2H3,(H,25,29)/p+1/t19-,22+/m1/s1/fC24H35N4O3S/h25,27H/q+1 CC[NH+](CC)[C@@H](CNC(=O)c1c2c(n(n1)[C@@H]3CCS(=O)(=O)C3)CCCC2)c4ccccc4 C01[X(C24H35N4O3S1)] 195 C01 554 CC[NH+]([C@H](c1ccccc1)CNC(=O)c1nn(c2c1CCCC2)[C@@H]1CCS(=O)(=O)C1)CC CC[NH]([C@H]([C]1[CH][CH][CH][CH][CH]1)CNC(=O)[C]1[N][N@]([C]2[C]1CCCC2)[C@@H]1CC[S@](=O)([O])C1)CC CC[NH](CC)[C@@H](CNC(=O)[C]1[N]N([C]2CCCC[C]12)[C@@H]3CC[S]([O])(=O)C3)[C]4[CH][CH][CH][CH][CH]4 InChIKey=XHRJGYYMLWRWLG-KNQAVFIVSA-N InChI=1S/C24H35N4O3S/c1-3-27(4-2)22(18-10-6-5-7-11-18)16-25-24(29)23-20-12-8-9-13-21(20)28(26-23)19-14-15-32(30,31)17-19/h5-7,10-11,19,22,27H,3-4,8-9,12-17H2,1-2H3,(H,25,29)/t19-,22+/m1/s1 InChI=1/C24H35N4O3S/c1-3-27(4-2)22(18-10-6-5-7-11-18)16-25-24(29)23-20-12-8-9-13-21(20)28(26-23)19-14-15-32(30,31)17-19/h5-7,10-11,19,22,27H,3-4,8-9,12-17H2,1-2H3,(H,25,29)/t19-,22+/m1/s1/f/h25H 3721.3521522678 -1768.8733227 1-A 16656.3169 123 431 554 |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|A|A| -92.28031 -20.65573 -20.64839 -20.63600 -15.80623 -15.75037 -15.69664 -15.69633 -11.46065 -11.42158 -11.41262 -11.40315 -11.40155 -11.38830 -11.37437 -11.37203 -11.36868 -11.36012 -11.35959 -11.35935 -11.34550 -11.34514 -11.34070 -11.33652 -11.33549 -11.33461 -11.33443 -11.33156 -11.31986 -11.30922 -11.30745 -11.30068 -9.25871 -6.94457 -6.94345 -6.94338 -1.56154 -1.51356 -1.49956 -1.44660 -1.44248 -1.35087 -1.28105 -1.27007 -1.22936 -1.21097 -1.18979 -1.17660 -1.13795 -1.13035 -1.12518 -1.11892 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|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|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|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|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| 0.02078 0.03014 0.03399 0.08471 0.09001 0.09919 0.11063 0.11551 0.12253 0.12889 0.12938 0.14407 0.15299 0.15414 0.16301 0.16589 0.16992 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4695.53 4697.32 4702.09 4702.44 4721.16 4742.36 4745.31 4748.89 4751.65 4760.07 4763.09 4767.91 4771.86 4789.86 4799.52 4841.55 4844.57 4847.73 4849.87 4856.40 4861.94 4873.24 4885.52 4897.95 5253.72 5565.80 0.624528 0.653492 0.654436 0.562595 -1768.248794 -1768.219831 -1768.218887 -1768.310728 3.080362D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2021 DUDE CC[NH+](CC)[C@@H](CNC(=O)c1c2c(n(n1)[C@@H]3CCS(=O)(=O)C3)CCCC2)c4ccccc4 C40988326 RHF 6-31G(d) (6D,10F) C1 459.242988 |X|Y|Z| 67.002080 105.941520 30.715213 60.186996 24 6 7 16 20 3 1 |36.858105| |12.516625|36.858105| |7.479748|12.622127|53.358707| |7.171857|9.331805|25.620112|0.500000| |4.944961|7.671063|17.197915|0.260333|36.858105| |4.342090|6.075887|10.283936|0.208341|12.505410|36.858105| |6.136940|7.521211|16.961164|0.259019|7.448583|4.928796|36.858105| |7.228838|7.195331|12.590738|0.233383|5.588821|4.200015|17.648869|0.500000| |4.283807|4.898598|10.219410|0.200002|6.214083|4.494095|12.359904|0.248798|36.858105| |4.093377|4.514420|9.200029|0.220870|5.777745|4.763111|7.698706|0.190569|13.239736|53.358707| |3.323532|3.730861|7.107294|0.165850|5.283544|4.796386|5.283276|0.129629|7.745967|18.989615|36.858105| |2.951317|3.397919|6.307889|0.135841|5.178565|4.632161|4.735325|0.112095|6.790384|11.482454|15.887815|73.516695| |3.062671|3.301692|5.800042|0.141458|4.244040|4.331453|4.047219|0.106155|5.070512|10.847076|12.823363|14.353458|36.858105| |2.520529|2.694482|4.479168|0.104409|3.394292|3.592092|3.133109|0.082754|3.769165|6.921663|7.235957|11.018432|13.487342|36.858105| |2.470890|2.575197|4.119758|0.097318|3.044099|3.324142|2.822502|0.076556|3.219926|5.748400|5.223270|7.880688|8.727977|13.946585|36.858105| |2.891788|2.953043|4.718891|0.116314|3.334223|3.651004|3.166896|0.087778|3.521560|6.505031|5.436962|7.641417|9.059924|8.682671|14.034122|53.358707| |3.419183|3.549636|6.034097|0.156466|4.133431|4.354075|4.043302|0.111131|4.648526|9.655848|7.970381|9.795062|14.616128|8.486975|8.615556|19.618745|53.358707| |2.904890|2.874119|4.346245|0.106475|3.014536|3.371934|2.858339|0.080992|3.004089|5.204847|4.018564|5.922001|5.509257|5.287868|7.518068|17.845624|10.895465|36.858105| |2.518102|2.475744|3.690794|0.087805|2.584899|2.851140|2.486516|0.070577|2.627471|4.428237|3.442195|5.225671|4.590439|4.763257|6.980167|12.646220|8.066082|17.647177|0.500000| |2.918533|2.965348|4.365325|0.105424|3.140608|3.755785|2.742460|0.076250|2.788941|4.646506|3.612903|5.554342|4.615637|4.485077|5.795416|10.413444|8.144351|12.165175|0.242063|36.858105| |3.237398|3.175058|4.411421|0.105816|3.070163|3.646003|2.725167|0.077282|2.647755|4.249925|3.123973|4.843777|3.687093|3.421295|4.054325|7.062023|6.391642|7.524153|0.167943|12.428857|36.858105| |4.223302|3.864647|5.339013|0.134137|3.415818|3.810152|3.304460|0.097596|3.132467|5.090531|3.494236|5.215675|4.006991|3.444596|3.906046|7.245927|7.391545|7.104131|0.151031|7.288794|10.703624|388.023441| |5.556792|5.318423|7.546630|0.207289|4.590788|5.165238|4.268662|0.124348|3.892229|6.383456|4.216406|6.181135|4.585957|3.688005|3.920005|7.124075|8.373687|5.810674|0.123079|6.115534|7.264597|93.562703|73.516695| |4.152827|3.547180|4.615871|0.110047|2.916041|3.138871|2.958387|0.089553|2.738962|4.239550|2.857326|4.374601|3.143655|2.768379|3.075904|5.323978|5.409145|4.937427|0.118178|4.952103|7.097334|94.572945|13.695422|73.516695| |3.367004|3.146498|4.630429|0.115132|3.022774|3.254697|3.075806|0.090761|3.127068|5.330024|3.773116|5.488273|4.707723|4.137273|5.050442|10.503960|9.386469|12.354044|0.246465|7.539777|7.336954|75.689431|12.691911|12.740608|36.858105| |2.097862|2.167346|3.350499|0.076974|2.496896|2.738714|2.310317|0.062996|2.573835|4.320169|3.748762|6.045512|5.218022|7.469647|12.698514|10.135875|7.081497|5.974546|0.183272|5.037549|3.613068|23.357779|5.617240|4.807975|4.141758|36.858105| |1.896891|1.992252|3.087853|0.069261|2.365645|2.577395|2.150093|0.057720|2.418672|3.944034|3.507667|6.010335|4.532427|6.724200|7.706071|6.857320|5.603404|4.127213|0.119957|3.815136|2.920031|19.032003|4.732057|4.017915|3.155253|12.382443|36.858105| |1.897729|2.004485|3.164815|0.070329|2.429504|2.559170|2.262694|0.060257|2.630229|4.287993|3.942654|6.960021|4.935299|7.676511|6.774903|6.262026|5.591732|3.592737|0.100857|3.233537|2.579480|17.652761|4.508542|3.762153|2.911898|7.476633|12.421050|36.858105| |2.161644|2.328042|3.804720|0.084966|2.968455|3.092554|2.722049|0.071092|3.280509|5.529803|5.599909|10.150990|7.129123|12.669148|7.527104|7.118055|6.971327|3.810153|0.100718|3.440689|2.748417|19.318624|5.135413|4.043020|3.131165|6.196692|7.486563|12.403881|36.858105| |5.082924|6.219655|10.155425|0.156824|5.992950|4.087060|12.547751|0.249727|7.487208|6.800179|3.952608|6.833271|3.139258|2.576571|2.333347|3.457934|4.187873|2.333200|0.057704|2.276690|2.280862|18.955744|5.829989|4.386113|2.478370|1.972882|1.873768|1.976657|2.334143|36.858105| |5.048399|5.404224|7.385864|0.123839|4.353440|3.294575|7.594437|0.208271|5.233322|5.329256|3.168477|5.413651|2.650400|2.226704|2.061350|3.064294|3.617810|2.115911|0.052937|2.059027|2.101449|17.578676|5.245724|4.207608|2.289145|1.773762|1.678054|1.757090|2.027269|13.695189|36.858105| |3.867232|4.129691|5.492940|0.095104|3.555667|2.807208|5.020511|0.134897|3.974277|4.242081|2.652117|4.653003|2.258033|1.949031|1.809394|2.646268|3.052023|1.837559|0.046555|1.802141|1.837366|14.983028|4.356705|3.623738|1.963308|1.584082|1.515994|1.588134|1.811023|7.884661|13.749419|36.858105| |3.256614|3.654523|5.035086|0.087096|3.520576|2.776743|4.420647|0.111723|3.736926|3.999152|2.586296|4.681155|2.184486|1.909087|1.755030|2.526490|2.895582|1.740270|0.044249|1.720305|1.733746|13.819809|4.005966|3.304183|1.823017|1.544525|1.497981|1.577544|1.804017|6.823046|7.945122|13.766706|36.858105| |3.260586|3.870927|5.688241|0.096398|4.228365|3.198249|4.986972|0.116904|4.347716|4.517869|2.961494|5.509659|2.432977|2.114608|1.912310|2.731155|3.160901|1.853210|0.046874|1.838978|1.827958|14.439604|4.242252|3.384013|1.912164|1.669372|1.631192|1.729851|2.009160|7.894514|6.895465|7.952739|13.742900|36.858105| |3.875725|4.850758|7.864963|0.126560|5.796866|3.977642|7.463849|0.155502|6.183399|5.905925|3.738718|6.916913|2.945374|2.483067|2.216828|3.197087|3.801444|2.139070|0.053390|2.113426|2.086298|16.709647|5.045689|3.842836|2.208384|1.895531|1.838035|1.954750|2.317113|13.664483|7.958939|6.878998|7.931185|13.766486|36.858105| |17.610171|8.796986|9.319454|0.213795|4.649658|4.339789|5.554676|0.184606|4.222118|5.909159|3.521382|5.394011|3.365047|2.739422|2.738198|4.503026|5.351521|3.397723|0.080372|3.374206|3.832951|38.820209|13.365540|9.517323|4.120888|2.300785|2.039631|2.021466|2.295929|4.322820|4.162709|3.271172|2.823330|2.867272|3.409267|0.500000| |17.618624|8.714525|8.880262|0.169151|4.392095|3.709739|6.536374|0.239947|4.458835|5.532343|3.222760|5.109338|2.917372|2.406249|2.336596|3.679432|4.354123|2.675859|0.065379|2.615907|2.836470|26.014077|8.076838|6.492735|3.106098|1.991393|1.810852|1.833864|2.085597|5.649972|6.153429|4.477782|3.568567|3.457646|4.072887|0.299276|0.500000| |17.578445|8.988882|7.521470|0.146765|4.161710|3.843480|4.645849|0.144347|3.465343|4.535500|2.822030|4.546091|2.653309|2.246236|2.227628|3.506231|4.009060|2.641984|0.064539|2.709097|3.076667|27.552433|8.505105|7.114443|3.039797|1.930036|1.753042|1.739191|1.952650|4.202014|4.349731|3.560955|3.029117|2.973075|3.384706|0.302877|0.303813|0.500000| |8.931332|17.684761|12.464680|0.222509|7.471851|7.157659|5.562938|0.146165|4.128446|5.484599|3.525433|5.761908|3.234127|2.689252|2.607635|4.068462|4.777610|2.965680|0.070629|3.189169|3.484740|29.087473|10.147066|6.582243|3.189439|2.211540|2.030721|2.011433|2.321058|4.758610|4.187829|3.428710|3.153867|3.370420|4.076242|0.210876|0.173373|0.221312|0.500000| |8.775971|17.653833|12.398707|0.182130|6.920234|5.224217|6.976557|0.177155|4.551130|5.381490|3.335521|5.600292|2.907141|2.425291|2.296385|3.495531|4.125206|2.483433|0.060542|2.556514|2.704321|22.559048|7.269287|5.293947|2.676047|1.962706|1.833155|1.858815|2.149025|7.118918|6.382445|4.951626|4.372148|4.580444|5.627299|0.172464|0.211050|0.210396|0.302151|0.500000| |4.665427|7.362602|12.377543|0.183129|17.650904|8.776294|6.495490|0.138432|5.191538|6.175399|4.175583|7.550097|3.440445|2.869971|2.602879|3.819026|4.560746|2.588612|0.062871|2.710148|2.696286|21.033488|6.773863|4.647548|2.612143|2.196284|2.107103|2.164435|2.590013|6.298339|4.614329|3.897538|3.984193|4.917190|6.642715|0.115810|0.117212|0.113691|0.198634|0.217988|0.500000| |4.110022|5.628135|12.342644|0.214357|17.696187|8.938220|7.310830|0.147904|7.453255|9.227372|6.574808|12.386080|4.776923|3.768690|3.231021|4.683745|5.896876|2.991223|0.071809|3.035941|2.864983|22.414459|7.247005|4.765801|2.936991|2.618274|2.521076|2.655753|3.347600|5.881079|4.155484|3.439139|3.485122|4.326401|6.094354|0.110082|0.106504|0.096784|0.147550|0.146533|0.302026|0.500000| |4.222505|5.398314|9.425842|0.224826|8.800728|17.584077|4.733804|0.116181|4.569635|7.267667|5.584749|8.999279|5.391358|4.328803|4.049082|6.239337|7.634223|4.153694|0.094343|4.691849|4.364438|32.235331|11.311177|6.263991|3.895608|3.213642|2.947995|2.887641|3.534101|3.735533|3.062837|2.592013|2.527314|2.862877|3.536253|0.124360|0.100562|0.102441|0.170204|0.124227|0.172512|0.211146|0.500000| |4.609477|6.485205|9.022642|0.180408|8.704059|17.609006|4.369347|0.108049|3.799450|5.377150|3.857310|6.549077|3.625695|3.093456|2.968988|4.489851|5.162166|3.197393|0.075653|3.666557|3.767799|27.689381|9.325952|5.839053|3.155221|2.512913|2.346796|2.292336|2.683841|3.763949|3.169597|2.732355|2.675305|2.999108|3.603581|0.126552|0.105409|0.118073|0.247027|0.153625|0.210355|0.173327|0.300879|0.500000| |3.510206|4.648918|7.552768|0.149954|8.968668|17.583170|4.118490|0.097709|3.958720|5.632757|4.422554|8.121066|4.012597|3.499577|3.189913|4.558831|5.242606|3.061383|0.073519|3.428341|3.241263|23.031704|7.284438|4.827009|2.871092|2.686405|2.605233|2.594432|3.138666|3.617298|2.945277|2.588739|2.630158|3.071263|3.719098|0.096725|0.086109|0.088720|0.146530|0.118970|0.210306|0.220871|0.301768|0.302759|0.500000| |3.666793|4.355118|8.722922|0.163376|6.402128|4.549242|8.697092|0.174334|17.705399|12.709904|7.612713|14.405657|4.805142|3.728503|3.103018|4.442699|5.670672|2.767335|0.067978|2.621769|2.458508|19.882790|6.075994|4.349703|2.787953|2.513047|2.426046|2.675108|3.389962|6.933719|4.747608|3.834557|3.829803|4.739347|6.911759|0.098965|0.103918|0.085387|0.105813|0.116970|0.153080|0.242954|0.124486|0.104357|0.116780|0.500000| |3.860701|4.129799|7.573483|0.149997|4.645250|3.585527|8.997342|0.225969|17.568982|12.373236|6.071938|9.725046|4.359447|3.390033|2.937072|4.330578|5.510287|2.747992|0.068075|2.508649|2.396672|20.200693|6.020984|4.534064|2.901136|2.396487|2.257883|2.477141|3.018635|6.817396|5.296751|4.076688|3.760506|4.208247|5.594425|0.105531|0.116712|0.088444|0.097041|0.109515|0.114884|0.146973|0.101349|0.087415|0.089802|0.305021|0.500000| |4.278329|4.389031|8.259985|0.211526|4.862511|4.251704|6.722012|0.192072|9.002371|26.037090|9.434182|10.905193|7.681757|4.955305|4.376737|7.177058|11.041823|4.269699|0.099790|3.636042|3.360227|30.135556|9.302404|6.242601|4.614509|3.268678|2.884372|3.079057|3.826569|4.456576|3.715416|2.954815|2.721995|2.974429|3.752964|0.132090|0.118810|0.096034|0.108940|0.104493|0.109250|0.145795|0.135134|0.102317|0.101562|0.179962|0.212820|0.500000| |3.064375|3.241860|4.904465|0.119275|3.657984|4.605179|2.994798|0.081322|3.061322|5.152787|4.129774|6.373508|5.288965|5.037116|6.128322|10.473524|9.015371|8.791709|0.179033|17.619607|8.866099|45.164961|11.367163|7.768156|6.081407|4.991459|3.976399|3.425340|3.804690|2.465456|2.187377|1.907341|1.834782|1.987228|2.308947|0.097001|0.075614|0.078161|0.098130|0.077259|0.085873|0.098303|0.169529|0.121681|0.116758|0.080910|0.074792|0.108635|0.500000| |2.515027|2.563487|3.734227|0.087517|2.741452|3.257098|2.390153|0.066135|2.445265|3.982609|3.144204|4.984617|3.953158|4.101070|5.368720|8.378324|6.448796|8.659055|0.225844|17.608431|8.806030|37.959452|8.118575|7.267674|5.679302|5.283687|4.015009|3.243801|3.304134|2.031023|1.849606|1.641102|1.578376|1.684671|1.911794|0.078978|0.063360|0.065830|0.076488|0.062685|0.067028|0.074320|0.108906|0.088820|0.085415|0.064840|0.061815|0.085262|0.302726|0.500000| |3.311793|3.327471|4.500801|0.105809|3.204093|3.949877|2.708677|0.075829|2.579423|4.039842|2.968762|4.701087|3.377274|3.128761|3.557373|5.872487|5.585151|5.499727|0.127810|8.653540|17.622330|57.138459|12.130012|10.815027|5.341517|3.197350|2.695198|2.401317|2.578978|2.297979|2.114376|1.858160|1.761973|1.861360|2.117794|0.106657|0.079094|0.089124|0.105205|0.078832|0.078957|0.081320|0.128791|0.118262|0.097511|0.067272|0.064349|0.086617|0.220071|0.196437|0.500000| |2.873828|2.760658|3.777867|0.088520|2.622835|3.026134|2.402248|0.068727|2.339508|3.691242|2.704664|4.246806|3.160540|3.009849|3.585875|6.005584|5.320745|6.408745|0.161891|8.675381|17.593377|57.889888|9.678757|12.285658|6.535155|3.357833|2.721066|2.389285|2.480456|2.048443|1.916515|1.693323|1.596463|1.668194|1.879459|0.093327|0.071209|0.077237|0.082999|0.066576|0.065243|0.068575|0.097144|0.087085|0.076216|0.060512|0.059866|0.081305|0.173398|0.216389|0.299992|0.500000| |3.000864|2.758123|3.945875|0.094801|2.596443|2.773414|2.671766|0.079308|2.696089|4.423470|3.135357|4.698753|3.786510|3.485519|4.236262|7.845442|6.864872|8.743714|0.229440|6.146306|6.456594|58.313554|9.649426|12.675804|17.606670|3.753286|2.892411|2.649456|2.759624|2.213486|2.082666|1.809867|1.679331|1.743800|1.983138|0.100276|0.077923|0.077132|0.077637|0.066366|0.063708|0.070058|0.089405|0.075837|0.069096|0.067419|0.070879|0.104489|0.134980|0.142844|0.132808|0.184830|0.500000| |3.563657|3.285358|4.962856|0.124758|3.141363|3.243120|3.418487|0.103033|3.543159|6.203940|4.210691|5.938745|5.178324|4.307404|4.977217|10.213422|10.567373|8.632883|0.188898|5.626710|5.364930|56.765024|11.916958|10.813428|17.681727|3.930172|3.065248|2.944229|3.232566|2.695123|2.485830|2.105291|1.938667|2.031030|2.365305|0.121638|0.093625|0.087098|0.089567|0.077574|0.074979|0.085942|0.106710|0.085747|0.079024|0.085513|0.092422|0.158772|0.140214|0.124126|0.119463|0.133642|0.300308|0.500000| |1.998861|2.030767|3.109702|0.071142|2.273874|2.441102|2.183550|0.060310|2.430944|4.039351|3.396816|5.448480|4.564045|6.028109|8.957815|8.776468|6.340645|5.521228|0.183091|4.384354|3.322217|22.128340|5.206882|4.673813|4.066129|17.519200|8.785327|6.515641|5.213030|1.874338|1.704153|1.525706|1.480613|1.587021|1.790536|0.060984|0.053224|0.051204|0.057037|0.051276|0.056046|0.066030|0.078307|0.062833|0.065981|0.065335|0.064029|0.086443|0.115598|0.126669|0.080854|0.088240|0.106142|0.108956|0.500000| |2.080654|2.143811|3.252720|0.074691|2.429053|2.725551|2.202812|0.060246|2.392547|3.951060|3.335423|5.406833|4.461287|5.713562|8.863185|9.148552|6.398158|6.358152|0.203955|5.874704|4.040928|24.450069|5.723791|5.020213|4.231307|17.540655|8.794629|5.483750|4.810460|1.891116|1.710299|1.531505|1.491420|1.605383|1.814521|0.063610|0.054337|0.053692|0.061593|0.053791|0.059659|0.069466|0.088918|0.070695|0.074259|0.064752|0.061621|0.083239|0.155029|0.188760|0.098692|0.105585|0.108334|0.106207|0.303230|0.500000| |1.724499|1.796007|2.740022|0.060909|2.086595|2.258996|1.920127|0.051878|2.135020|3.406964|2.938213|5.070051|3.634815|4.919889|5.604990|5.578274|4.630054|3.582962|0.107502|3.343987|2.641843|17.134785|4.195869|3.696359|2.823390|8.850376|17.570773|8.807246|5.472194|1.695223|1.534759|1.397428|1.381431|1.494035|1.665236|0.051333|0.045907|0.044637|0.050847|0.046204|0.052310|0.061254|0.070580|0.057973|0.063483|0.059417|0.056014|0.069644|0.094172|0.099981|0.067958|0.069937|0.073812|0.075865|0.219823|0.206911|0.500000| |1.912407|2.036375|3.150685|0.070292|2.467757|2.750988|2.157388|0.057341|2.401150|3.875215|3.466717|6.072010|4.364139|6.184629|6.704500|6.386195|5.380606|3.942290|0.110927|3.908106|2.980129|18.949875|4.778209|3.980920|3.018143|8.841365|17.526531|8.846563|6.901704|1.889018|1.682955|1.524041|1.514487|1.658212|1.868581|0.056825|0.050314|0.049270|0.058285|0.052125|0.061122|0.072885|0.087386|0.069440|0.078690|0.067623|0.061494|0.077512|0.117310|0.115854|0.078012|0.076293|0.076324|0.080421|0.174000|0.220453|0.303448|0.500000| |1.853918|1.929710|3.031403|0.067434|2.276573|2.355899|2.204667|0.059447|2.572517|4.188373|3.736647|6.436689|4.637931|6.695559|6.234173|6.059087|5.403347|3.513089|0.100760|3.042155|2.468987|17.244433|4.347918|3.718816|2.915068|6.891567|8.850025|17.517587|8.832748|1.926550|1.728330|1.562075|1.542489|1.677788|1.888921|0.055011|0.050194|0.047165|0.053320|0.049743|0.056565|0.068807|0.073439|0.059104|0.065394|0.071716|0.068568|0.085184|0.087144|0.084205|0.063173|0.064284|0.074616|0.083169|0.194161|0.139364|0.210841|0.173688|0.500000| |1.745219|1.851722|2.898823|0.063412|2.250893|2.360709|2.081713|0.055169|2.402855|3.796364|3.430889|6.294126|4.009443|5.582318|4.944524|4.998076|4.605809|3.005831|0.084359|2.793374|2.287582|15.596630|3.999162|3.375193|2.504183|5.474367|8.836425|17.567018|8.831118|1.852308|1.652083|1.508875|1.511279|1.659344|1.855523|0.051116|0.046978|0.044716|0.051664|0.048208|0.056496|0.068428|0.072499|0.059030|0.067474|0.068866|0.063219|0.074861|0.082325|0.078585|0.060039|0.059286|0.064058|0.070156|0.137485|0.123210|0.216010|0.211165|0.303525|0.500000| |2.140548|2.350592|3.841071|0.084522|3.112282|3.301789|2.700308|0.069359|3.207244|5.240177|5.305495|10.427109|6.153438|8.940892|6.066536|6.193524|6.207853|3.479467|0.090855|3.325057|2.681996|18.524780|5.002778|3.883513|2.880946|5.224997|6.534420|8.793127|17.538994|2.345889|2.021318|1.816702|1.829735|2.058999|2.371757|0.062505|0.056974|0.053965|0.065750|0.060671|0.075754|0.098360|0.103623|0.078744|0.096178|0.094529|0.080633|0.098089|0.105011|0.089358|0.071422|0.066831|0.070641|0.081365|0.119895|0.121799|0.137552|0.194892|0.173864|0.219025|0.500000| |2.126480|2.285383|3.760906|0.082823|2.907302|2.912478|2.783111|0.072482|3.459855|5.723354|5.781208|10.971592|6.487124|8.896610|5.741294|6.068412|6.299664|3.343027|0.088457|2.988154|2.474028|17.887023|4.792054|3.807900|2.883189|4.800452|5.482862|8.787698|17.578462|2.406148|2.086138|1.867874|1.866995|2.085413|2.403050|0.062182|0.057769|0.053157|0.062330|0.059167|0.071075|0.092618|0.090307|0.070186|0.081752|0.100636|0.090224|0.108367|0.090508|0.078966|0.064736|0.062474|0.071158|0.084664|0.121183|0.107359|0.122989|0.139559|0.219137|0.206387|0.304844|0.500000| |5.800363|5.466028|7.102627|0.124895|3.969568|3.129768|7.063020|0.232243|4.897002|5.258604|3.074307|5.109113|2.635605|2.207612|2.073107|3.126166|3.684382|2.186166|0.054673|2.108017|2.179188|18.663381|5.530027|4.547860|2.419585|1.784019|1.668048|1.735453|1.985616|8.890953|17.715587|8.962114|5.661328|4.963819|5.646873|0.131358|0.220985|0.136725|0.116364|0.167940|0.112421|0.103869|0.082715|0.084824|0.076720|0.117510|0.140739|0.106251|0.061469|0.052353|0.060478|0.055454|0.061430|0.073596|0.047916|0.047895|0.042469|0.046209|0.047720|0.045075|0.054444|0.056514|0.500000| |3.573169|3.620149|4.670283|0.083375|3.020077|2.476580|4.104348|0.115652|3.353837|3.726426|2.352450|4.098546|2.047311|1.786010|1.675945|2.452851|2.793541|1.721770|0.043915|1.686244|1.732295|14.121720|4.034223|3.471790|1.851903|1.480666|1.414105|1.474864|1.662173|5.627906|8.929146|17.731493|8.912607|5.649623|4.956313|0.084674|0.116210|0.094177|0.085249|0.117576|0.090578|0.080777|0.064249|0.067867|0.063637|0.088967|0.096867|0.073583|0.049106|0.042842|0.048590|0.044743|0.047915|0.055028|0.039840|0.039889|0.036418|0.039381|0.040477|0.038977|0.046125|0.047525|0.216932|0.500000| |2.804374|3.083151|4.185965|0.074177|2.982154|2.439777|3.538499|0.091431|3.104794|3.441368|2.271431|4.132224|1.951534|1.731856|1.600594|2.288521|2.587199|1.585086|0.040604|1.571098|1.584733|12.493561|3.566953|3.008668|1.654086|1.424153|1.388184|1.459652|1.652328|4.927058|5.648219|8.916951|17.730863|8.911718|5.644444|0.068466|0.084460|0.074078|0.075973|0.100557|0.093128|0.082159|0.062011|0.065885|0.065078|0.088808|0.087368|0.065661|0.046329|0.040346|0.044789|0.040819|0.042661|0.048581|0.038028|0.038286|0.035767|0.039000|0.039693|0.039068|0.046615|0.047484|0.124464|0.214605|0.500000| |2.808314|3.318784|4.884907|0.084902|3.821126|2.997539|4.069857|0.096553|3.767678|4.070304|2.765987|5.271339|2.292188|2.027931|1.827962|2.575543|2.945180|1.744345|0.044381|1.740384|1.717850|13.332626|3.874484|3.117433|1.776706|1.610144|1.591569|1.692648|1.959789|5.631760|4.964760|5.651930|8.910343|17.730669|8.941879|0.069911|0.081106|0.072190|0.083174|0.106440|0.123539|0.110720|0.074428|0.077913|0.082362|0.117653|0.100961|0.074257|0.052344|0.044660|0.048709|0.043677|0.045167|0.052044|0.042438|0.043019|0.040606|0.045135|0.045421|0.045497|0.056305|0.056596|0.107728|0.124140|0.214739|0.500000| |3.560878|4.541221|7.881238|0.129535|6.649726|4.438584|6.845567|0.139302|6.535299|6.368672|4.224866|8.222608|3.226669|2.719925|2.380869|3.386661|4.046033|2.228558|0.055487|2.212181|2.145718|16.901860|5.121960|3.817325|2.253695|2.023093|1.982315|2.124586|2.563208|8.846095|5.640490|4.957372|5.663706|8.996604|17.737145|0.089789|0.100383|0.086508|0.110713|0.138710|0.208104|0.216928|0.108441|0.107035|0.118836|0.233169|0.153977|0.108003|0.068059|0.055679|0.060563|0.053352|0.055824|0.066728|0.052595|0.053557|0.049541|0.056355|0.056455|0.056151|0.073941|0.073996|0.123703|0.107620|0.124630|0.218108|0.500000| 1766.952861 -11563.711645 4520.148171 -213.615182 -5490.225796 3721.352420 -1768.873376 2.001087 409F20000000000F 44906519B37E5E1A 4410FE07FB545518 4244362736F7FFFD BC2D83C940000007 43E0E186500EF341