Version2.1 2020-12-04T03:38:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1cccc2c1NC(=O)[C@@]23[C@H]4[C@@H]([C@@H]([NH2+]3)CCSC)C(=O)N(C4=O)CCc5ccccc5 C08789977 RHF 6-31G(d) (6D,7F) CCc1cccc2c1NC(=O)[C@@]23[C@H]4[C@@H]([C@@H]([NH2+]3)CCSC)C(=O)N(C4=O)CCc5ccccc5 C01[X(C26H30N3O3S1)] 183 C1 559 CSCC[C@@H]1[NH2+][C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cccc1CC CSCC[C@@H]1[NH2+][C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cccc1CC CCc1cccc2c1NC(=O)[C@]23[NH2+][C@@H](CCSC)[C@@H]4[C@H]3C(=O)N(CCc5ccccc5)C4=O InChIKey=OZPDLDAFYHUBIS-LMMUWCHVSA-O InChI=1S/C26H29N3O3S/c1-3-17-10-7-11-18-22(17)27-25(32)26(18)21-20(19(28-26)13-15-33-2)23(30)29(24(21)31)14-12-16-8-5-4-6-9-16/h4-11,19-21,28H,3,12-15H2,1-2H3,(H,27,32)/p+1/t19-,20+,21-,26-/m0/s1 InChI=1/C26H29N3O3S/c1-3-17-10-7-11-18-22(17)27-25(32)26(18)21-20(19(28-26)13-15-33-2)23(30)29(24(21)31)14-12-16-8-5-4-6-9-16/h4-11,19-21,28H,3,12-15H2,1-2H3,(H,27,32)/p+1/t19-,20+,21-,26-/m0/s1/fC26H30N3O3S/h27-28H/q+1 CCc1cccc2c1NC(=O)[C@@]23[C@H]4[C@@H]([C@@H]([NH2+]3)CCSC)C(=O)N(C4=O)CCc5ccccc5 C01[X(C26H30N3O3S1)] 183 C01 559 CSCC[C@@H]1[NH2+][C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cccc1CC CSCC[C@@H]1[NH2][C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)CC[C]1[CH][CH][CH][CH][CH]1)C(=O)N[C]1[C]2[CH][CH][CH][C]1CC CC[C]1[CH][CH][CH][C]2[C]1NC(=O)[C@]23[NH2][C@@H](CCSC)[C@@H]4[C@H]3C(=O)N(CC[C]5[CH][CH][CH][CH][CH]5)C4=O InChIKey=LGBIVEXHSMEKOO-LMMUWCHVSA-N InChI=1S/C26H30N3O3S/c1-3-17-10-7-11-18-22(17)27-25(32)26(18)21-20(19(28-26)13-15-33-2)23(30)29(24(21)31)14-12-16-8-5-4-6-9-16/h4-11,19-21H,3,12-15,28H2,1-2H3,(H,27,32)/t19-,20+,21-,26-/m0/s1 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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| 13.0125 22.7644 23.8915 29.2544 32.5261 37.0319 41.2804 56.6745 60.1461 66.2125 80.9035 93.1520 102.6045 123.4006 131.4668 142.0523 159.1885 170.5662 195.5376 200.9476 210.9530 221.9858 246.3023 253.3255 269.4653 283.6071 295.8510 308.0982 310.2237 338.3832 376.2666 381.4519 395.6608 416.6833 449.7485 455.7009 471.1232 484.4073 522.2547 555.3353 561.7686 588.8493 594.3149 597.7308 609.9243 644.1724 661.7498 680.9004 682.8925 687.4963 703.9700 725.4319 766.0652 780.8593 785.1937 791.9485 806.6999 833.4582 839.5826 842.2672 845.8037 849.6458 858.9979 874.1059 896.2878 898.0507 906.6601 917.6873 943.4336 953.5660 959.8120 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34.37 42.09 46.80 53.28 59.39 81.54 86.54 95.27 116.40 134.02 147.62 177.55 189.15 204.38 229.04 245.41 281.34 289.12 303.51 319.39 354.37 364.48 387.70 408.05 425.66 443.28 446.34 486.86 541.36 548.82 569.27 599.51 647.09 655.65 677.84 696.95 751.41 799.00 808.26 847.22 855.09 860.00 877.55 926.82 952.11 979.66 982.53 989.15 1012.86 1043.73 1102.20 1123.48 1129.72 1139.44 1160.66 1199.16 1207.97 1211.83 1216.92 1222.45 1235.91 1257.64 1289.56 1292.09 1304.48 1320.35 1357.39 1371.97 1380.96 1415.02 1469.56 1495.20 1508.14 1512.43 1537.41 1551.69 1564.09 1568.83 1580.74 1587.54 1596.41 1609.63 1618.63 1620.72 1627.16 1630.55 1635.24 1646.35 1649.35 1675.05 1694.64 1704.01 1707.92 1717.81 1731.14 1760.82 1787.03 1793.43 1861.61 1874.77 1875.09 1898.33 1901.46 1911.94 1944.58 1960.15 1970.57 1987.02 2007.87 2016.84 2034.00 2038.64 2046.59 2067.38 2089.76 2103.63 2115.66 2141.57 2144.96 2151.92 2158.52 2187.64 2190.67 2195.51 2213.76 2224.63 2230.26 2254.66 2258.09 2262.34 2320.85 2324.77 2332.87 2334.07 2339.15 2347.63 2354.23 2361.46 2365.90 2368.09 2383.85 2391.52 2405.56 2570.00 2588.05 2606.81 2616.42 2620.35 2864.68 2890.41 2974.14 4591.73 4614.75 4627.44 4641.24 4646.25 4667.89 4682.35 4687.24 4703.33 4711.57 4718.33 4727.42 4732.91 4736.32 4756.26 4766.21 4776.07 4788.81 4817.62 4819.69 4821.25 4842.96 4847.02 4860.28 4862.87 4881.83 4896.16 5168.41 5360.21 5574.63 0.566317 0.595430 0.596374 0.501055 -1786.797445 -1786.768332 -1786.767387 -1786.862707 3.197048D-04 MUNgauss RevisionA2.0 retrievium 04-Dec-2020 DUDE CCc1cccc2c1NC(=O)[C@@]23[C@H]4[C@@H]([C@@H]([NH2+]3)CCSC)C(=O)N(C4=O)CCc5ccccc5 C08789977 RHF 6-31G(d) (6D,10F) C1 464.200789 |X|Y|Z| 82.099588 108.692964 36.620318 68.879213 24 6 7 21 3 |36.858105| |12.412861|36.858105| |7.485207|12.581048|36.858105| |5.532600|7.491982|13.663987|36.858105| |4.084953|4.971073|7.800328|13.735478|36.858105| |3.694251|4.374164|6.705470|7.922801|13.740900|36.858105| |4.148906|4.969088|7.822129|6.960105|8.022670|13.791874|36.858105| |5.695228|7.491976|13.777463|8.113847|6.948128|7.915663|13.694816|36.858105| |5.257123|6.222192|7.609033|5.144718|4.606195|5.299325|8.320269|13.520364|53.358707| |3.915505|4.350976|5.276234|4.145865|4.082420|5.082696|8.010744|8.364722|19.338029|36.858105| |3.377237|3.576118|4.032300|3.306583|3.268192|3.927590|5.428136|5.548442|11.281455|15.974554|73.516695| |3.452304|3.916235|5.183482|4.516989|4.963677|7.231847|12.636511|8.129012|11.117449|12.303270|14.080560|36.858105| |2.797809|3.214596|4.025566|3.715137|4.166100|5.738402|7.337540|5.430359|7.446668|7.233427|10.627218|12.215076|36.858105| |2.791455|3.305941|4.215735|4.035815|4.646995|6.387872|7.364619|5.431879|6.832975|5.800156|8.382225|8.800519|17.654100|0.500000| |2.383090|2.628980|3.193066|3.070035|3.519274|4.706696|5.289520|4.025652|5.484686|5.179347|8.593086|7.646205|12.407895|0.239517|36.858105| |2.190301|2.426666|2.930485|2.909962|3.400370|4.438961|4.580520|3.539587|4.659862|4.113613|6.791374|5.729692|8.680290|0.219994|17.592292|0.500000| |2.492811|2.668665|3.277933|3.190679|3.723875|5.083512|5.595203|4.129824|5.490920|5.138818|8.497171|7.720228|7.718965|0.167855|12.429235|0.246264|36.858105| |2.516745|2.710219|3.399934|3.455701|4.248866|6.006013|5.885875|4.165217|5.189048|4.526255|7.175894|6.853493|6.661945|0.164720|8.938092|0.226808|17.610500|0.500000| |3.016570|3.202303|4.006795|3.685580|4.130966|5.710916|7.466395|5.462788|7.590368|7.860708|12.262943|12.600863|7.923608|0.164707|8.052108|0.161641|12.591461|0.255338|53.358707| |3.207718|3.307457|4.166323|3.890223|4.373719|5.914025|7.320700|5.509657|7.268864|6.691550|10.356590|9.078963|5.830275|0.134797|5.846412|0.130674|9.022963|0.229410|25.700784|0.500000| |2.893966|3.011170|3.595724|3.227177|3.466650|4.466923|5.769061|4.792240|7.330396|8.101747|15.244802|9.266201|6.726530|0.139074|6.938839|0.140261|9.104269|0.181447|25.513950|0.325443|0.500000| |2.176180|2.261706|2.665776|2.602632|2.951366|3.713453|3.962084|3.206529|4.384818|3.970429|7.089596|4.986415|4.948109|0.114744|7.218301|0.171047|12.475937|0.246161|10.289712|0.185132|0.200572|36.858105| |2.169689|2.199786|2.575622|2.555911|2.897608|3.528031|3.629827|3.007800|4.024100|3.468182|6.112396|4.167554|3.821567|0.093391|4.797317|0.121145|7.470069|0.196322|8.285923|0.179766|0.159105|12.434935|36.858105| |1.835478|1.838320|2.081448|2.060855|2.275159|2.641500|2.709552|2.361401|3.221930|2.715567|4.946892|3.051851|2.911564|0.072607|3.551647|0.093025|4.602145|0.120323|5.443998|0.114400|0.112439|6.977882|10.504263|388.023441| |1.803635|1.774455|1.990938|1.997643|2.192807|2.467367|2.474746|2.199825|2.951222|2.399431|4.296738|2.648114|2.457034|0.062865|2.830078|0.075123|3.575615|0.099288|4.527667|0.100146|0.091507|4.571715|6.854337|74.877475|36.858105| |2.152362|2.339420|2.715256|2.555219|2.799858|3.492597|3.981671|3.342748|4.853378|4.619347|8.543112|5.559657|7.883121|0.163818|12.436191|0.250429|7.282468|0.151731|8.033331|0.125946|0.170038|6.166789|4.144512|24.100305|2.640998|36.858105| |1.932640|2.063302|2.352506|2.237937|2.442367|2.964810|3.275765|2.815232|4.066041|3.733814|7.083783|4.283086|5.340859|0.121381|7.863588|0.190997|6.085700|0.131533|6.584789|0.109636|0.143182|6.307952|4.210801|26.155180|2.760521|16.058977|73.516695| |2.243414|2.475272|2.827235|2.590929|2.756124|3.364919|3.972308|3.502305|5.310727|5.083615|9.618745|5.537123|8.090664|0.170464|8.086813|0.177977|5.320442|0.119968|6.950868|0.111722|0.150558|4.439529|3.322263|19.828332|2.273901|13.900057|14.857202|53.358707| |2.593501|2.958355|3.459261|3.096555|3.268166|4.063479|5.066142|4.459620|6.834955|6.638815|11.274042|7.342996|12.462172|0.248922|7.870953|0.172078|5.298557|0.125048|7.595773|0.121448|0.155102|4.055267|3.179085|18.418974|2.183371|8.297348|9.876532|18.924172|36.858105| |2.701989|3.145349|3.562815|3.105772|3.151134|3.739147|4.661327|4.489707|7.146373|6.316563|10.644345|6.001914|7.906285|0.196977|5.341089|0.127268|4.077043|0.100969|6.083975|0.103366|0.125282|3.271628|2.699972|16.031236|1.949958|5.550215|7.501390|11.346861|16.080251|73.516695| |2.016628|2.195319|2.417274|2.211224|2.300307|2.693902|3.109540|2.887182|4.441590|4.021733|7.984452|4.002281|5.045943|0.118881|5.045249|0.123028|3.861080|0.090832|5.163594|0.088074|0.114782|3.523441|2.777168|17.525517|2.035043|7.626497|11.746225|17.636201|7.627683|11.699040|36.858105| |2.036004|2.165062|2.335781|2.104069|2.150508|2.485274|2.907462|2.783249|4.436986|4.043766|8.734315|3.721528|4.181163|0.097923|4.148897|0.099193|3.523254|0.082539|4.986715|0.086853|0.116986|3.358598|2.728891|17.598553|2.053341|5.747235|9.655337|10.407978|5.702951|9.417781|12.441048|36.858105| |1.804506|1.903738|2.009410|1.825885|1.850180|2.086096|2.379711|2.320332|3.633204|3.127558|6.504389|2.886126|3.180505|0.078224|3.164534|0.079287|2.767721|0.067063|3.866078|0.069761|0.088221|2.703045|2.280894|15.218630|1.811195|4.090472|7.259258|6.784706|4.081559|7.174355|7.593378|12.584974|36.858105| |1.616257|1.689745|1.784429|1.646092|1.680491|1.885007|2.106795|2.033833|3.110299|2.642908|5.381708|2.512014|2.755271|0.068581|2.855152|0.073118|2.548801|0.062226|3.464030|0.063344|0.078392|2.578892|2.195824|15.117131|1.790851|3.669716|6.942157|5.591022|3.342056|5.721285|5.723177|7.549114|13.705555|36.858105| |1.474366|1.535394|1.602299|1.485366|1.507844|1.667042|1.840980|1.795665|2.719549|2.250775|4.496450|2.138301|2.318382|0.058973|2.376473|0.061977|2.151463|0.053566|2.927240|0.054429|0.065225|2.177254|1.899896|13.241644|1.600005|2.917895|5.469122|4.378121|2.746874|4.814608|4.199443|5.012268|7.898728|13.752188|36.858105| |1.470586|1.534599|1.582305|1.459743|1.467106|1.606381|1.776384|1.758816|2.674741|2.175531|4.316771|2.036120|2.192016|0.056423|2.185873|0.057116|1.978283|0.049752|2.731422|0.051083|0.060413|1.965650|1.734484|11.960734|1.468773|2.611271|4.740866|4.006471|2.612810|4.728261|3.781400|4.427235|6.829213|7.935597|13.750601|36.858105| |1.607241|1.688591|1.731757|1.579760|1.574937|1.724228|1.929549|1.933025|2.983822|2.420999|4.831606|2.218874|2.386816|0.061391|2.313869|0.059870|2.073924|0.052083|2.913687|0.054232|0.064532|2.017506|1.774279|12.003471|1.479080|2.748561|4.834876|4.380636|2.921510|5.451066|4.195989|5.012906|7.898977|6.888006|7.952344|13.750605|36.858105| |1.796086|1.900506|1.968467|1.777276|1.774772|1.968771|2.242408|2.239977|3.524252|2.930791|5.985498|2.645344|2.872107|0.072463|2.748560|0.069729|2.422748|0.059938|3.441657|0.063036|0.077198|2.324693|2.008220|13.349548|1.626087|3.349092|5.765472|5.596171|3.671525|6.887816|5.714296|7.551115|13.705834|7.963633|6.887752|7.935407|13.752209|36.858105| |17.539093|8.718042|6.743891|4.902233|3.873012|3.706653|4.357826|6.003279|8.265680|4.483579|6.939840|3.763061|2.954867|0.079797|2.523979|0.063422|2.675780|0.073889|4.544122|0.099553|0.090480|2.345608|2.342646|14.031825|1.931246|2.294353|3.661916|3.252110|2.749500|5.051452|2.144032|2.198792|1.932065|1.723806|1.562789|1.553186|1.699387|1.912357|0.500000| |17.569183|8.767661|6.778248|5.776935|4.274847|3.721238|3.967357|5.085519|6.039215|3.495037|5.391423|3.238808|2.637244|0.073500|2.294213|0.059126|2.441536|0.069596|3.963451|0.087780|0.076604|2.147093|2.180784|13.115756|1.841814|2.051444|3.299774|2.860260|2.398751|4.362403|1.882750|1.890800|1.679961|1.520597|1.389779|1.379101|1.493852|1.659862|0.302047|0.500000| |17.575642|8.797513|5.478932|4.365312|3.370833|3.076027|3.402725|4.436713|5.892387|3.362833|5.339676|2.949505|2.473029|0.068596|2.130769|0.054764|2.203059|0.061411|3.556513|0.076179|0.070683|1.954093|1.944996|11.924335|1.651208|1.959905|3.155421|2.798637|2.349663|4.400002|1.881888|1.912125|1.720145|1.544115|1.420705|1.427360|1.562162|1.730662|0.301788|0.301528|0.500000| |8.812857|17.534483|8.897193|5.695207|4.210695|3.939996|4.658050|6.970068|9.210394|4.601733|6.801559|3.918716|3.290291|0.093363|2.645446|0.067403|2.619830|0.072503|4.279490|0.087825|0.083783|2.223693|2.125760|12.736235|1.707261|2.402382|3.747610|3.544521|3.150542|6.160802|2.335213|2.313367|2.037892|1.787253|1.624179|1.636241|1.820994|2.059971|0.208265|0.172682|0.213267|0.500000| |8.853977|17.580927|8.965795|7.193247|4.739918|3.962422|4.200149|5.650622|6.403343|3.562275|5.343713|3.345607|2.871767|0.083734|2.388434|0.062390|2.404622|0.068585|3.796319|0.079715|0.072653|2.057551|2.008138|12.070126|1.648846|2.131215|3.367955|3.057586|2.654556|5.021891|2.010837|1.965543|1.750656|1.565846|1.434198|1.437772|1.576003|1.755686|0.172598|0.211289|0.213331|0.305780|0.500000| |5.394445|6.986921|8.954035|17.717018|8.966260|5.654071|4.997220|5.727029|5.627662|3.401746|5.015539|3.600660|3.088281|0.092884|2.627260|0.070154|2.717512|0.081433|4.165102|0.089647|0.076076|2.283786|2.267384|13.307799|1.838133|2.237450|3.536735|3.091068|2.660448|4.790304|1.977891|1.890899|1.666589|1.512525|1.377452|1.359669|1.467438|1.633978|0.125500|0.164830|0.123063|0.145435|0.218245|0.500000| |3.487468|4.073387|5.597025|8.926379|17.744017|8.917754|5.681174|4.993274|4.978020|3.344536|4.946992|4.011067|3.566939|0.110846|3.160675|0.087380|3.346088|0.107798|4.806655|0.103833|0.083548|2.734033|2.726002|15.482797|2.128152|2.544286|4.015127|3.369759|2.859496|4.887899|2.094521|1.952622|1.700629|1.561247|1.410228|1.371004|1.461581|1.631699|0.091129|0.103591|0.082508|0.097388|0.112939|0.217138|0.500000| |3.070104|3.507975|4.864155|5.639259|8.911725|17.707731|8.849935|5.615561|5.837692|4.399549|6.360641|6.444143|5.759711|0.179500|5.208767|0.143415|5.765854|0.210830|7.765315|0.161100|0.121865|4.121022|3.891084|20.292720|2.637843|3.688798|5.611498|4.638352|3.969485|6.274134|2.702661|2.456161|2.062902|1.885951|1.665109|1.591132|1.691936|1.925136|0.086133|0.086473|0.072970|0.089846|0.090338|0.124434|0.215045|0.500000| |5.857815|6.601270|6.689402|4.540795|3.917193|4.239208|5.873186|8.868679|26.015063|9.297758|12.847096|5.788805|4.348993|0.112569|3.383026|0.081426|3.381599|0.088833|6.073283|0.121128|0.124777|2.825208|2.633451|15.447169|2.012626|3.120517|4.763724|4.694343|4.263972|8.229840|3.021586|3.103657|2.605868|2.225916|1.967315|1.957597|2.199847|2.580559|0.196360|0.129137|0.137740|0.218319|0.135351|0.106663|0.089220|0.098148|0.500000| |2.135368|2.202611|2.544905|2.429369|2.677018|3.295938|3.647950|3.072685|4.378988|4.059218|7.688840|4.736348|4.697476|0.106430|6.482808|0.147521|8.834941|0.173915|9.492410|0.166055|0.217865|17.583731|8.796191|46.854620|4.257137|6.626807|12.902788|6.515861|4.160838|5.975794|3.898592|3.870711|3.054566|2.924834|2.422032|2.156693|2.205554|2.565354|0.064555|0.057912|0.053666|0.060925|0.055392|0.059534|0.068417|0.097766|0.079509|0.500000| |1.969117|2.060900|2.407531|2.384207|2.715118|3.351034|3.457702|2.832211|3.836409|3.381608|6.018534|4.190454|4.487409|0.108189|6.791350|0.182004|8.991921|0.208544|7.571613|0.137895|0.147098|17.592945|8.850864|46.792135|4.281600|6.080572|12.021626|5.796973|3.779918|5.449765|3.449131|3.189749|2.621614|2.549449|2.164852|1.941443|1.971357|2.248838|0.058204|0.054071|0.049546|0.056440|0.052759|0.058797|0.071208|0.105316|0.069425|0.306283|0.500000| |2.151025|2.194238|2.596119|2.649034|3.082095|3.741417|3.647647|2.975931|3.846853|3.217242|5.495289|3.962516|3.671128|0.093005|4.531610|0.120467|6.830515|0.212017|7.362438|0.163755|0.132950|8.812474|17.554483|56.311941|6.530281|3.741351|6.625973|4.149204|2.985455|4.552022|2.546211|2.453275|2.077094|1.998255|1.748692|1.609666|1.648902|1.853254|0.063638|0.060764|0.053416|0.058260|0.056173|0.065477|0.082138|0.118899|0.069734|0.172912|0.212041|0.500000| |2.383461|2.375085|2.779854|2.719720|3.034964|3.673869|3.883678|3.269220|4.407329|3.792092|6.690283|4.419613|3.774437|0.091680|4.414257|0.108080|6.735657|0.175577|9.125422|0.221426|0.179025|8.744736|17.517425|56.547489|6.511961|3.837418|6.719632|4.373033|3.154349|4.836427|2.702062|2.718101|2.267805|2.158202|1.871369|1.722442|1.775411|2.014770|0.072584|0.066695|0.058911|0.063389|0.059542|0.066693|0.078118|0.108471|0.080212|0.208194|0.172733|0.301505|0.500000| |1.648202|1.618213|1.792547|1.794887|1.950194|2.165689|2.176344|1.963266|2.652810|2.142846|3.870495|2.325464|2.189273|0.056328|2.501813|0.066938|3.038252|0.083652|3.866851|0.083937|0.079195|3.810455|5.105934|57.386869|17.616149|2.390512|4.496108|2.832329|1.984022|3.176850|1.896300|1.923985|1.722544|1.722179|1.551657|1.422117|1.421562|1.549407|0.048860|0.046660|0.042285|0.043448|0.041983|0.046266|0.052804|0.063888|0.050748|0.101938|0.102332|0.135070|0.134930|0.500000| |1.795045|1.775504|2.006044|2.046823|2.277299|2.548581|2.491717|2.195084|2.889360|2.321393|4.081793|2.607353|2.431654|0.063154|2.794382|0.075585|3.525812|0.101951|4.382175|0.097492|0.086028|4.328926|6.407057|55.957714|17.605020|2.545879|4.674868|2.986667|2.130553|3.388147|1.950150|1.937737|1.711785|1.686214|1.512596|1.395946|1.409529|1.546973|0.052889|0.051307|0.045539|0.047133|0.046117|0.052479|0.062214|0.076794|0.054498|0.107215|0.115512|0.196049|0.163445|0.300979|0.500000| |1.927415|1.869965|2.090075|2.081703|2.260634|2.528890|2.565191|2.307749|3.108489|2.513179|4.507732|2.726084|2.458988|0.062688|2.761747|0.072083|3.508153|0.096862|4.682231|0.106580|0.095467|4.310015|6.398782|55.925595|17.601557|2.570396|4.695317|3.062368|2.187322|3.498219|2.014462|2.057850|1.811550|1.776273|1.587596|1.465828|1.484605|1.635574|0.057825|0.054856|0.048893|0.049784|0.047990|0.053174|0.060477|0.073782|0.059146|0.113955|0.107322|0.164285|0.195218|0.301035|0.298388|0.500000| |2.014698|2.221729|2.419516|2.206272|2.269782|2.616562|3.005815|2.851585|4.378247|3.813983|7.338536|3.730236|4.701238|0.116811|4.371240|0.110356|3.379528|0.082180|4.595377|0.079874|0.099550|3.027401|2.460644|15.539829|1.846564|5.779579|8.827662|12.589521|7.326734|13.128124|17.650342|8.796356|6.894538|5.088895|4.010882|3.825838|4.438356|6.059426|0.058936|0.051937|0.052562|0.066438|0.056903|0.055109|0.057449|0.072142|0.083708|0.090393|0.082530|0.063763|0.066977|0.047938|0.049544|0.050939|0.500000| |1.828637|1.977083|2.175252|2.027135|2.129955|2.478551|2.777534|2.551238|3.815261|3.371335|6.550127|3.472603|4.354283|0.105808|4.712943|0.121037|3.648006|0.086774|4.646267|0.080517|0.101724|3.465269|2.723110|17.613654|2.025247|7.272520|12.953073|12.566761|5.793128|8.861918|17.645402|8.793989|6.875737|6.061527|4.434422|3.816589|3.995980|5.065398|0.053688|0.047905|0.047549|0.057784|0.050807|0.050771|0.054619|0.070301|0.072313|0.106248|0.097735|0.069589|0.072166|0.052804|0.053956|0.055028|0.301506|0.500000| |2.002748|2.100239|2.282653|2.071958|2.137151|2.487164|2.894080|2.725945|4.299684|3.978570|8.724895|3.742477|4.087008|0.094193|4.317877|0.101806|3.818960|0.087511|5.343055|0.092931|0.129562|3.816235|3.054338|19.951560|2.272333|6.148524|11.187530|9.512474|5.111732|7.993611|8.881438|17.557434|8.889064|7.138184|4.724143|3.975627|4.213091|5.666873|0.060479|0.052115|0.052010|0.061483|0.052859|0.051666|0.054062|0.068948|0.082919|0.128208|0.099749|0.074571|0.084214|0.059113|0.058830|0.063136|0.173648|0.212593|0.500000| |2.258886|2.404746|2.574878|2.268291|2.282632|2.632474|3.163745|3.109833|5.175485|4.791994|10.982591|4.086413|4.383652|0.101927|4.063159|0.095411|3.525930|0.083036|5.287821|0.092279|0.125798|3.263371|2.704409|17.115434|2.032330|5.182566|8.224749|9.553534|6.093252|10.726503|8.877421|17.567927|8.874784|5.660259|4.209074|3.972199|4.720081|7.130292|0.068433|0.057528|0.058872|0.072349|0.059909|0.056342|0.056894|0.070832|0.101841|0.103168|0.083949|0.067697|0.076500|0.052610|0.053342|0.057291|0.211793|0.173608|0.302556|0.500000| |1.595232|1.662235|1.772252|1.646919|1.697701|1.917628|2.130716|2.026525|3.068213|2.633622|5.347450|2.557859|2.812381|0.069436|3.022777|0.077497|2.721018|0.065860|3.621700|0.066074|0.082288|2.829493|2.382769|16.651754|1.935879|3.975038|7.943851|5.730986|3.324426|5.500687|5.599338|7.001023|8.904502|17.691897|8.931381|5.647930|4.957836|5.652073|0.047326|0.041959|0.042117|0.048400|0.042769|0.041948|0.043935|0.053808|0.060375|0.090616|0.078493|0.059704|0.064337|0.051821|0.050353|0.052942|0.130219|0.175645|0.214153|0.143595|0.500000| |1.374275|1.424747|1.487804|1.390075|1.416292|1.560642|1.705957|1.656596|2.480608|2.040972|4.036353|1.963593|2.120095|0.054244|2.205148|0.058111|2.020560|0.050623|2.719010|0.050943|0.060233|2.075531|1.827591|12.956769|1.568641|2.675575|5.110649|3.888784|2.450771|4.252673|3.576887|4.090780|5.631832|8.925307|17.719147|8.912416|5.650370|4.959816|0.040371|0.036195|0.036813|0.041592|0.037112|0.035937|0.037007|0.043534|0.049759|0.063931|0.057848|0.046820|0.049744|0.042569|0.041159|0.043037|0.094125|0.107476|0.112120|0.096988|0.215921|0.500000| |1.368899|1.423690|1.459691|1.353317|1.357654|1.474773|1.617053|1.606014|2.420961|1.943519|3.811111|1.827730|1.954790|0.050828|1.950178|0.051417|1.781358|0.045229|2.453814|0.046298|0.053848|1.775403|1.585407|11.012458|1.365764|2.284500|4.153921|3.447734|2.286521|4.148330|3.136148|3.542334|4.929619|5.643904|8.909883|17.722368|8.909738|5.643799|0.039993|0.035764|0.037082|0.042064|0.037257|0.035219|0.035413|0.040599|0.049401|0.053660|0.048881|0.041100|0.043733|0.036905|0.036138|0.037846|0.088723|0.088536|0.090500|0.090435|0.124207|0.214708|0.500000| |1.581650|1.662284|1.685449|1.535691|1.519198|1.646625|1.836409|1.860944|2.865507|2.279719|4.490369|2.077869|2.215269|0.057701|2.117939|0.055105|1.909614|0.048448|2.699720|0.050657|0.059268|1.844476|1.640289|11.071296|1.380520|2.452645|4.267164|3.891864|2.680798|5.102005|3.573035|4.091312|5.631868|4.959915|5.650417|8.912672|17.718750|8.925110|0.046231|0.040730|0.043018|0.050042|0.043299|0.039846|0.039219|0.044655|0.059278|0.055416|0.049989|0.042631|0.045776|0.036881|0.036684|0.038597|0.107462|0.093774|0.097065|0.112046|0.107609|0.124146|0.214713|0.500000| |1.949386|2.080088|2.138901|1.906450|1.884248|2.084501|2.403223|2.441074|3.908049|3.219226|6.568509|2.827606|3.047104|0.077180|2.809186|0.070766|2.466742|0.061274|3.576701|0.065457|0.079883|2.314274|2.006374|13.121054|1.611315|3.336430|5.548599|5.741381|3.980457|7.865753|5.585175|7.004777|8.905636|5.652355|4.957759|5.647660|8.930475|17.692633|0.057665|0.049546|0.052262|0.063495|0.053155|0.048580|0.047784|0.055972|0.080329|0.070229|0.061585|0.051668|0.056370|0.042419|0.042748|0.045261|0.174938|0.129570|0.143745|0.214059|0.124102|0.107608|0.124201|0.215884|0.500000| 1785.661176 -11264.380111 4356.522191 -215.495381 -5337.692125 3550.328295 -1787.363829 2.000954 40C5000000000003 44D0A01A1DFFD8C1 44513B2EC2D97E31 42314C98BDBFFFFC BC40534B51000000 43C7A28A40E919F7