Version2.1 2021-01-14T04:57:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1nc2c(n1[C@H]3CCS(=O)(=O)C3)cc(nc2C(=O)N[C@H]4CCCC[C@@H]4C)c5cccs5 C36638782 RHF 6-31G(d) (6D,7F) Cc1nc2c(n1[C@H]3CCS(=O)(=O)C3)cc(nc2C(=O)N[C@H]4CCCC[C@@H]4C)c5cccs5 C01[X(C23H28N4O3S2)] 174 C1 544 C[C@H]1CCCC[C@@H]1NC(=O)c1nc(cc2c1nc(n2[C@H]1CCS(=O)(=O)C1)C)c1cccs1 C[C@H]1CCCC[C@@H]1NC(=O)c1nc(cc2c1nc(n2[C@H]1CCS(=O)(=O)C1)C)c1cccs1 C[C@H]1CCCC[C@@H]1NC(=O)c2nc(cc3n([C@H]4CC[S](=O)(=O)C4)c(C)nc23)c5sccc5 InChIKey=QRFLRIXEZIHCDV-XIRDDKMYSA-N InChI=1S/C23H28N4O3S2/c1-14-6-3-4-7-17(14)26-23(28)22-21-19(12-18(25-22)20-8-5-10-31-20)27(15(2)24-21)16-9-11-32(29,30)13-16/h5,8,10,12,14,16-17H,3-4,6-7,9,11,13H2,1-2H3,(H,26,28)/t14-,16-,17-/m0/s1 InChI=1/C23H28N4O3S2/c1-14-6-3-4-7-17(14)26-23(28)22-21-19(12-18(25-22)20-8-5-10-31-20)27(15(2)24-21)16-9-11-32(29,30)13-16/h5,8,10,12,14,16-17H,3-4,6-7,9,11,13H2,1-2H3,(H,26,28)/t14-,16-,17-/m0/s1/f/h26H Cc1nc2c(n1[C@H]3CCS(=O)(=O)C3)cc(nc2C(=O)N[C@H]4CCCC[C@@H]4C)c5cccs5 C01[X(C23H28N4O3S2)] 174 C01 544 C[C@H]1CCCC[C@@H]1NC(=O)c1nc(cc2c1nc(n2[C@H]1CCS(=O)(=O)C1)C)c1cccs1 C[C@H]1CCCC[C@@H]1NC(=O)[C]1[N][C]([CH][C]2[C]1[N]=C(N2[C@H]1CC[S@@](=O)([O])C1)C)C1=[CH][CH]=[CH]S1 C[C@H]1CCCC[C@@H]1NC(=O)[C]2[N][C]([CH][C]3[C]2N=C(C)N3[C@H]4CC[S]([O])(=O)C4)c5sccc5 InChIKey=QRFLRIXEZIHCDV-XIRDDKMYSA-N InChI=1S/C23H28N4O3S2/c1-14-6-3-4-7-17(14)26-23(28)22-21-19(12-18(25-22)20-8-5-10-31-20)27(15(2)24-21)16-9-11-32(29,30)13-16/h5,8,10,12,14,16-17H,3-4,6-7,9,11,13H2,1-2H3,(H,26,28)/t14-,16-,17-/m0/s1 InChI=1/C23H28N4O3S2/c1-14-6-3-4-7-17(14)26-23(28)22-21-19(12-18(25-22)20-8-5-10-31-20)27(15(2)24-21)16-9-11-32(29,30)13-16/h5,8,10,12,14,16-17H,3-4,6-7,9,11,13H2,1-2H3,(H,26,28)/t14-,16-,17-/m0/s1/f/h26H 3622.8952593028 -2124.6493115 1-A 20577.3251 125 419 544 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.19579 -91.96819 -20.56648 -20.56391 -20.50927 -15.64501 -15.57401 -15.56439 -15.55826 -11.33789 -11.33640 -11.33121 -11.30131 -11.29872 -11.29251 -11.29228 -11.29043 -11.28096 -11.26948 -11.26655 -11.26156 -11.25559 -11.25474 -11.25035 -11.23628 -11.23531 -11.22236 -11.21278 -11.21181 -11.21068 -11.20833 -11.20353 -9.17405 -8.97852 -6.85987 -6.85886 -6.85877 -6.66109 -6.66011 -6.65847 -1.47676 -1.38371 -1.37727 -1.35926 -1.28272 -1.23464 -1.22464 -1.17621 -1.15895 -1.11321 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0.1640 0.2899 0.8244 0.2702 0.5112 0.3886 0.8245 0.7892 0.8494 0.6851 0.3792 0.5283 0.3516 0.2609 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 6 6 7 6 6 7 6 1 6 6 16 8 8 6 6 6 7 6 6 8 7 6 1 6 6 6 6 6 1 6 6 6 6 6 16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 1.00783 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 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 1.00783 1.00783 9200.5226 28619.6405 35748.2739 0.99995 0.00941 -0.00423 -0.00939 0.99994 0.00525 0.00428 -0.00521 0.99998 1 0.00941 0.00303 0.00242 0.19616 0.06306 0.05048 22.00 31.45 39.42 40.58 50.25 65.03 85.45 103.99 116.94 147.80 189.01 203.67 226.97 238.79 262.90 302.42 307.26 325.56 338.45 346.58 377.09 387.53 419.48 442.86 464.12 497.06 505.01 524.35 554.95 572.18 599.10 609.76 624.18 658.41 676.55 699.04 714.32 732.94 748.17 767.56 793.52 835.12 863.90 876.02 884.51 903.47 923.96 956.32 1008.73 1058.45 1062.93 1116.89 1121.72 1148.61 1165.67 1167.64 1197.34 1211.95 1212.89 1234.53 1293.12 1306.93 1320.97 1332.13 1337.33 1369.97 1384.43 1406.45 1417.27 1434.61 1439.21 1456.35 1472.53 1481.21 1517.79 1526.98 1533.31 1550.63 1567.94 1599.40 1624.23 1632.22 1645.66 1665.43 1666.90 1681.03 1683.68 1692.90 1734.02 1748.95 1752.36 1758.02 1782.22 1811.45 1843.77 1849.46 1862.79 1885.28 1927.42 1936.88 1950.29 1977.23 1999.72 2004.19 2006.18 2020.08 2036.54 2063.60 2087.56 2093.72 2106.51 2109.75 2122.74 2129.53 2156.56 2169.40 2170.52 2192.34 2200.60 2202.43 2221.42 2228.81 2243.41 2254.57 2259.90 2296.66 2310.06 2315.46 2329.23 2341.51 2345.77 2347.41 2355.07 2356.98 2361.73 2364.44 2372.02 2372.18 2381.79 2469.58 2516.38 2542.72 2566.40 2614.99 2813.95 4525.17 4575.91 4578.32 4582.10 4589.04 4606.70 4619.21 4642.55 4648.31 4656.77 4671.18 4686.32 4691.75 4696.56 4698.30 4717.79 4722.37 4729.21 4750.90 4775.00 4797.54 4803.12 4824.60 4889.59 4899.89 4934.35 4954.25 5583.64 0.528745 0.555548 0.556493 0.468194 -2124.120566 -2124.093763 -2124.092819 -2124.181117 2.961529D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE Cc1nc2c(n1[C@H]3CCS(=O)(=O)C3)cc(nc2C(=O)N[C@H]4CCCC[C@@H]4C)c5cccs5 C36638782 RHF 6-31G(d) (6D,10F) C1 472.160285 |X|Y|Z| 123.464957 67.503938 27.873676 61.473653 27 6 7 16 21 4 2 |36.858105| |12.735943|36.858105| |7.791453|14.911404|53.358707| |5.332510|8.992986|18.794938|36.858105| |5.227663|8.650706|11.410028|13.650592|36.858105| |7.521904|13.749939|11.637664|8.644599|13.822754|53.358707| |6.222600|7.534085|7.180901|5.259728|7.508727|17.930141|36.858105| |7.539168|7.402559|6.782745|4.542779|5.683055|12.762385|17.660630|0.500000| |4.626204|5.305964|5.703994|4.354290|5.936590|10.367668|12.326732|0.248457|36.858105| |3.654456|3.900681|4.375070|3.315866|4.253094|6.891481|7.745406|0.188527|12.471122|36.858105| |3.368198|3.703163|4.252419|3.319494|4.341418|6.666979|7.087411|0.162736|7.317920|10.675837|388.023441| |2.951404|3.084591|3.596389|2.731707|3.359393|5.141145|5.069568|0.131701|5.000094|7.137693|94.505753|73.516695| |2.949038|3.371120|4.062424|3.331149|4.399738|6.055955|5.559676|0.124115|6.109292|7.302004|94.132165|13.592116|73.516695| |4.559479|5.246088|5.656866|4.342399|5.977290|10.348292|12.278292|0.247913|7.550081|7.184760|75.428172|12.673430|12.923221|36.858105| |3.823357|5.326620|7.228753|7.839132|13.740522|10.225664|5.926033|0.125309|5.426986|4.192259|32.214780|6.105715|9.156922|5.543628|36.858105| |3.202598|4.266944|6.340820|6.990192|8.108481|7.011093|4.169898|0.095508|3.945598|3.242578|24.676844|4.976222|7.068191|4.006032|13.737548|36.858105| |3.225653|4.306515|7.035389|8.096769|7.026713|6.387190|3.650305|0.087289|3.381059|2.782640|20.615299|4.299904|5.624232|3.406712|7.985118|14.286575|53.358707| |3.880756|5.453538|10.217584|13.671383|7.985640|7.378050|3.912228|0.095552|3.480854|2.795038|20.223568|4.247210|5.272679|3.482644|6.874829|8.236547|19.717394|36.858105| |3.414254|4.368370|8.230830|7.465156|5.006463|5.457194|3.085820|0.078894|2.792029|2.317230|16.590083|3.597352|4.267284|2.782467|4.445169|5.187168|10.732323|12.559755|36.858105| |3.646043|4.488622|8.723164|6.546809|4.442247|5.234077|2.978611|0.078308|2.688144|2.230577|15.667070|3.433449|3.944419|2.631786|3.773944|4.086513|7.417937|8.026483|15.879496|73.516695| |2.771536|3.391420|5.840441|5.170182|3.989321|4.416891|2.627250|0.067245|2.422491|2.069591|15.039856|3.302368|3.931629|2.454008|3.850726|4.753515|9.665009|7.929333|14.170220|15.030779|53.358707| |2.410298|2.812438|4.688118|3.819947|3.089246|3.608255|2.215948|0.057851|2.063548|1.796556|12.979275|2.901585|3.364908|2.083083|2.977981|3.502165|6.294677|5.023839|7.732207|11.944545|17.860821|36.858105| |2.500460|2.878829|4.851905|3.787421|3.015672|3.600655|2.205208|0.058199|2.056749|1.781135|12.682211|2.840033|3.250876|2.039422|2.828174|3.216251|5.646813|4.757148|7.570516|14.049188|12.716263|17.602686|0.500000| |2.271906|2.595684|4.233033|3.348568|2.779850|3.322460|2.071050|0.054551|1.900396|1.681391|12.339078|2.796326|3.177614|1.989279|2.677461|3.070466|5.239606|4.134976|5.636662|9.203891|10.569692|12.417175|0.247044|36.858105| |1.976260|2.192933|3.481335|2.675702|2.286669|2.804849|1.787807|0.047614|1.660114|1.487195|10.840586|2.485373|2.779842|1.720172|2.210215|2.479236|4.044485|3.145719|4.032742|7.039722|6.795196|7.495806|0.188718|12.457846|36.858105| |1.779547|1.974495|3.086690|2.410355|2.105550|2.571043|1.658594|0.043975|1.566652|1.411410|10.256293|2.351900|2.655492|1.599066|2.079771|2.360411|3.800763|2.846694|3.518837|5.996299|6.031430|6.425794|0.157494|7.561454|12.459739|36.858105| |1.844096|2.065401|3.251534|2.570101|2.230955|2.696967|1.730220|0.045649|1.654194|1.477288|10.613717|2.413174|2.761413|1.646485|2.211436|2.540367|4.151809|3.094215|3.896471|6.599862|6.805665|7.553321|0.189611|6.491402|7.560124|12.454644|36.858105| |2.076382|2.390048|3.835192|3.145753|2.680427|3.146227|1.982700|0.051643|1.892055|1.667486|12.006627|2.694230|3.150148|1.876996|2.678998|3.187660|5.473843|4.014726|5.265836|8.262269|10.525134|12.374016|0.246477|7.488125|6.382766|7.454371|12.397927|36.858105| |1.995171|2.306189|3.648395|3.050510|2.662056|3.094988|1.966006|0.050857|1.877369|1.667383|12.157238|2.729542|3.223110|1.889595|2.731458|3.322105|5.637698|3.909995|4.777393|7.196075|9.658231|8.901569|0.174669|6.846528|5.689005|6.824951|8.910145|17.444256|0.500000| |2.087075|2.408564|3.837262|3.168864|2.729177|3.195758|2.019766|0.052426|1.969914|1.723331|12.194175|2.716561|3.214130|1.882146|2.746087|3.267580|5.538335|4.010528|5.015132|8.009853|8.730061|7.472935|0.192275|4.871640|4.335575|4.884079|7.550245|12.448367|0.247212|36.858105| |2.584337|3.227468|4.658167|4.536330|5.103375|5.168821|3.361051|0.078924|3.329532|2.910325|22.539647|4.657834|6.768674|3.386700|7.612127|12.894606|10.892291|5.262927|3.986186|5.770506|5.436511|3.125546|0.078571|2.786853|2.308053|2.262017|2.431805|3.012672|0.090222|3.103023|36.858105| |2.253842|2.736506|4.019992|3.755023|3.912700|4.177826|2.738807|0.066340|2.735878|2.434864|18.456639|3.940661|5.393103|2.733110|5.070202|7.538146|9.016153|4.552482|3.800660|5.500026|5.554781|3.281888|0.080878|2.890599|2.415835|2.436474|2.656852|3.333109|0.103216|3.470089|14.095337|36.858105| |1.966884|2.320434|3.326986|2.969901|3.148234|3.536828|2.410316|0.059050|2.445533|2.254442|17.250413|3.755942|5.110626|2.459254|3.964243|5.076752|6.054128|3.404080|2.962523|4.466052|4.318419|2.702639|0.067461|2.456520|2.121454|2.169570|2.332895|2.803465|0.087004|2.902785|8.194914|13.306956|36.858105| |1.974988|2.316963|3.238779|2.862746|3.163860|3.613190|2.534835|0.061596|2.596652|2.450097|19.239325|4.178076|5.918438|2.657801|4.083191|4.843835|5.398009|3.132684|2.669947|4.096702|3.765610|2.366335|0.060012|2.190672|1.904549|1.919038|2.033233|2.393445|0.072748|2.458096|7.680206|8.248073|14.160381|36.858105| |2.349368|2.827414|3.877877|3.525840|4.178912|4.627715|3.261218|0.076530|3.321080|3.091043|25.206558|5.224017|8.225610|3.497765|5.992002|6.739078|6.487914|3.716606|2.972723|4.538650|4.015571|2.445943|0.062636|2.261619|1.933396|1.899702|2.004571|2.377744|0.070769|2.430699|10.947727|7.460925|7.465220|11.059962|388.023441| |17.549221|8.867202|8.211327|4.567607|4.676277|9.023911|6.201943|0.221301|5.040861|3.940850|24.181073|5.300072|5.231408|4.346689|3.570032|2.983521|4.023569|3.454904|3.052978|5.771798|3.430535|2.213797|0.063949|2.067405|1.821338|1.662405|1.735937|1.944762|0.051893|1.985007|2.453813|2.150152|1.894442|1.910571|16.086372|0.500000| |17.549497|8.867668|8.209188|4.567633|4.681988|9.031789|6.183522|0.222316|4.385385|3.672948|25.046293|5.639720|5.328014|4.930909|3.577889|2.991475|4.032621|3.457312|3.050108|5.672422|3.466608|2.233354|0.063614|2.149442|1.879243|1.690789|1.731009|1.934102|0.052114|1.921459|2.460196|2.142340|1.892391|1.919615|16.274529|0.300837|0.500000| |17.645469|9.095176|10.249290|4.932406|4.448833|7.662838|4.639475|0.146757|3.716798|3.036439|20.166865|4.507358|4.529725|3.669499|3.363203|2.947455|4.178977|3.763158|3.501796|6.945681|3.845337|2.502108|0.073361|2.368389|2.072789|1.846460|1.908302|2.130256|0.056219|2.128800|2.403196|2.138015|1.865652|1.851345|15.350161|0.300815|0.300674|0.500000| |4.842610|5.241956|5.646840|4.114553|5.157399|9.003824|8.762861|0.224074|17.596770|8.757702|37.732151|7.256973|8.144644|5.533223|4.536588|3.507928|4.266855|3.304140|2.726357|4.772646|3.196674|2.023845|0.056752|1.851776|1.630373|1.539771|1.634390|1.858483|0.050713|1.952885|2.975128|2.516981|2.251062|2.348576|20.587400|0.158115|0.122334|0.108752|0.500000| |4.044097|4.916173|5.657860|4.636940|6.591008|9.686916|8.741511|0.175195|17.616424|8.861934|46.635185|7.923843|11.726259|6.449962|6.696107|4.691562|5.226523|3.812065|2.976987|4.981989|3.535586|2.183250|0.059964|1.985207|1.723521|1.638908|1.744913|2.018936|0.055938|2.123498|3.947048|3.161834|2.795913|2.982673|27.905279|0.118207|0.104705|0.093727|0.302798|0.500000| |3.696922|3.708833|4.117795|3.008380|3.693978|6.159341|6.776450|0.193233|8.710474|17.587206|57.484024|12.386070|9.700746|6.279592|3.513940|2.807731|3.377781|2.536098|2.150946|3.736125|2.615448|1.688431|0.046785|1.592158|1.418795|1.342115|1.398124|1.563379|0.043241|1.608636|2.524823|2.155716|2.004991|2.157157|18.820383|0.113331|0.105701|0.085241|0.212363|0.172852|0.500000| |3.091354|3.304857|3.853678|2.963182|3.703354|5.626033|5.557277|0.137757|8.647183|17.622559|57.344370|10.810996|12.340938|5.305056|3.809858|3.054980|3.559023|2.578599|2.161831|3.687378|2.662731|1.709223|0.046996|1.593558|1.418207|1.358189|1.427446|1.607309|0.044758|1.674236|2.834824|2.401323|2.260579|2.477674|21.898433|0.092594|0.085136|0.073474|0.197971|0.216116|0.299150|0.500000| |4.158609|5.074411|5.820791|4.746258|6.726751|9.960299|8.621767|0.178166|5.999635|5.487422|57.509358|10.350552|12.890028|17.648191|6.702924|4.727855|5.300509|3.879833|3.020774|4.953549|3.655386|2.244859|0.060235|2.152364|1.837953|1.705660|1.750501|2.014319|0.056856|2.001264|3.943747|3.091142|2.750567|2.990473|29.008769|0.106488|0.122435|0.096221|0.127724|0.161353|0.131542|0.123701|0.500000| |4.541781|4.806878|5.199337|3.801530|4.791350|8.299621|8.661310|0.231073|5.722519|5.846257|57.170361|12.646224|9.868037|17.633091|4.346779|3.370150|4.058628|3.096967|2.562648|4.376583|3.096067|1.962473|0.053582|1.902604|1.658640|1.533385|1.564160|1.762773|0.049190|1.751467|2.905927|2.414199|2.196828|2.357061|21.266976|0.118693|0.146470|0.102271|0.128792|0.134409|0.159901|0.124357|0.300720|0.500000| |3.497531|4.561825|5.841102|5.576110|8.791785|8.897690|6.160878|0.126971|6.072987|4.912535|39.931136|7.140254|12.606016|6.281955|17.757967|8.870345|7.733819|4.957109|3.556549|5.541854|4.338714|2.564839|0.067890|2.344703|1.977270|1.878205|1.985526|2.358337|0.067176|2.423101|6.952074|4.678390|3.922642|4.303344|48.719142|0.093105|0.093269|0.084551|0.132424|0.219739|0.109384|0.125173|0.212519|0.130330|0.500000| |2.628662|3.233778|5.376684|4.967897|4.059112|4.381685|2.639549|0.066641|2.450438|2.108870|15.549635|3.400379|4.138634|2.512773|4.149477|5.485406|11.580706|7.725046|9.510772|10.903488|26.062834|8.962004|0.180606|6.534518|4.431971|4.141723|4.602414|7.074241|0.210487|6.011390|4.756956|5.022899|3.746444|3.180897|23.870727|0.066804|0.067907|0.072992|0.065089|0.073933|0.053923|0.055636|0.077543|0.064167|0.095310|0.500000| |2.488364|2.836182|4.689353|3.609943|2.939324|3.554944|2.193863|0.058163|1.978025|1.743873|12.826207|2.910782|3.265576|2.103429|2.756467|3.083596|5.229172|4.330557|5.935943|10.178462|9.693109|8.882379|0.216952|17.553286|8.800028|5.497151|4.864227|5.487257|0.140575|4.064971|2.726411|2.741790|2.330197|2.117650|15.891973|0.061958|0.065560|0.072865|0.053529|0.056840|0.046077|0.045523|0.063189|0.056292|0.066737|0.162588|0.500000| |2.177664|2.502176|4.008956|3.250894|2.770755|3.276679|2.059854|0.053842|1.890141|1.685264|12.540055|2.844716|3.260331|2.012770|2.737617|3.195621|5.392819|4.038173|5.072884|7.831457|9.704787|8.861723|0.174452|17.486591|8.846257|6.806275|5.695020|6.753167|0.202121|4.494159|2.969591|3.121659|2.661301|2.356478|17.118601|0.055111|0.057837|0.062129|0.050645|0.055112|0.044144|0.044451|0.061177|0.053383|0.066929|0.192134|0.303010|0.500000| |2.010389|2.204939|3.511676|2.635511|2.234979|2.777672|1.768978|0.047478|1.644214|1.468631|10.598584|2.432779|2.696741|1.684062|2.127128|2.347662|3.810788|3.038046|3.946198|7.289996|6.254095|6.755204|0.199844|8.854704|17.499307|8.856558|6.807296|5.622464|0.131634|4.159749|2.160840|2.236001|1.966040|1.779657|12.950034|0.051563|0.052791|0.059292|0.045225|0.047162|0.039098|0.038862|0.049529|0.045234|0.052900|0.109877|0.214427|0.173647|0.500000| |1.882860|2.067126|3.234743|2.464315|2.138398|2.650733|1.706018|0.045623|1.576563|1.424869|10.462588|2.417376|2.674653|1.659415|2.070411|2.295720|3.664630|2.830999|3.478039|6.077051|5.632235|5.475736|0.139616|8.830602|17.535146|8.805703|5.496591|4.797897|0.127245|3.508128|2.153015|2.237884|1.993923|1.809490|13.061222|0.048109|0.050294|0.054802|0.042873|0.045219|0.037901|0.037703|0.049279|0.044784|0.051913|0.105723|0.211360|0.214648|0.303480|0.500000| |1.644469|1.799546|2.780234|2.140138|1.890130|2.339352|1.524422|0.040666|1.445681|1.310843|9.493852|2.190972|2.448511|1.470895|1.862802|2.082687|3.286448|2.468088|2.980883|5.199904|4.861877|4.823856|0.126857|5.498019|8.809049|17.531612|8.830215|5.458824|0.140043|4.073261|2.006301|2.149770|1.946015|1.738341|12.203063|0.042898|0.043536|0.047524|0.039621|0.041816|0.034784|0.035120|0.043303|0.039368|0.047177|0.093236|0.123121|0.139511|0.214618|0.210956|0.500000| |1.718117|1.913871|2.965134|2.346701|2.080222|2.525657|1.638764|0.043243|1.548931|1.403608|10.292224|2.363404|2.682828|1.597401|2.086895|2.390756|3.812440|2.779827|3.323182|5.497467|5.766866|5.647848|0.131336|6.805753|8.855115|17.494607|8.849107|6.717126|0.200993|4.499475|2.335064|2.549306|2.292143|2.014373|13.994556|0.044589|0.045642|0.049072|0.042004|0.045156|0.036973|0.037590|0.047624|0.042510|0.052607|0.115832|0.139501|0.200532|0.173767|0.214498|0.303344|0.500000| |1.866395|2.070417|3.267291|2.530593|2.180908|2.668666|1.710917|0.045452|1.638365|1.458778|10.377726|2.362159|2.679328|1.611944|2.128510|2.402078|3.905013|2.990181|3.814066|6.787742|6.265148|6.804621|0.201170|5.698813|6.816133|8.861585|17.487040|8.855691|0.174358|6.985458|2.266448|2.432742|2.139290|1.888476|13.391066|0.048961|0.048381|0.054150|0.045346|0.047761|0.038515|0.039123|0.047212|0.042643|0.053119|0.113392|0.127559|0.131778|0.200953|0.139681|0.215147|0.173752|0.500000| |1.696593|1.890891|2.931159|2.324280|2.059528|2.497368|1.621344|0.042737|1.566425|1.408825|10.111637|2.305066|2.644109|1.549181|2.069301|2.376086|3.796116|2.763235|3.325652|5.599720|5.630485|5.502957|0.140065|4.857229|5.500804|8.822404|17.528510|8.842085|0.215580|6.966128|2.327468|2.585061|2.314953|2.005887|13.804510|0.044724|0.044376|0.048449|0.042996|0.046031|0.037010|0.038054|0.045655|0.040839|0.052178|0.110650|0.106982|0.127239|0.139723|0.123213|0.212491|0.214438|0.303681|0.500000| |1.877692|2.139467|3.332061|2.730275|2.423517|2.870202|1.847735|0.048049|1.821792|1.613392|11.418842|2.558919|3.023604|1.736062|2.476293|2.921499|4.738212|3.342864|3.929181|6.377367|6.546741|5.456144|0.141173|4.050012|3.817161|4.554785|6.952349|8.795575|0.212757|17.538554|2.875544|3.287265|2.847350|2.395759|16.411310|0.050018|0.048370|0.052948|0.050169|0.054579|0.041877|0.043877|0.051121|0.044965|0.061846|0.132149|0.094811|0.107522|0.101170|0.088344|0.109632|0.120097|0.174795|0.211472|0.500000| |2.240033|2.639450|4.222344|3.616190|3.115720|3.556475|2.226357|0.057083|2.184904|1.890713|13.360076|2.941627|3.554301|2.062696|3.186013|3.913277|6.821242|4.751710|5.695854|8.558639|9.712705|6.760389|0.170136|4.477260|3.778020|4.033728|5.476301|8.738498|0.212699|17.580207|3.692656|4.178392|3.350785|2.791583|19.770996|0.059253|0.056971|0.062727|0.059903|0.066344|0.048570|0.051065|0.061226|0.052709|0.077043|0.196599|0.107799|0.118523|0.100095|0.087598|0.094568|0.107174|0.141373|0.142144|0.301633|0.500000| |2.135287|2.436969|3.900628|3.127810|2.662454|3.174425|2.003172|0.052477|1.956250|1.703953|11.906842|2.657914|3.103783|1.842672|2.612932|3.012940|5.040378|3.836089|4.910261|8.464992|7.759007|6.785250|0.205857|4.521170|4.171886|4.519600|6.807548|8.782884|0.173381|17.532621|2.797590|3.025965|2.561896|2.222503|15.889248|0.056652|0.054148|0.061181|0.054514|0.058116|0.044442|0.045908|0.053854|0.047815|0.064158|0.139375|0.108924|0.110842|0.117851|0.093686|0.108771|0.110719|0.206921|0.169528|0.301476|0.301979|0.500000| |2.242107|2.719354|4.103002|3.823080|3.758040|4.025935|2.587779|0.063526|2.563958|2.257968|16.794176|3.617958|4.765485|2.529247|4.562421|6.744742|9.736700|4.908594|4.313644|6.098913|6.649229|3.876679|0.093502|3.289453|2.715851|2.775865|3.102151|4.056838|0.128240|4.289365|8.940746|17.777176|8.592594|5.737212|37.745152|0.059216|0.058675|0.059904|0.066718|0.081191|0.056189|0.061551|0.078466|0.062771|0.112523|0.174267|0.084649|0.098656|0.069350|0.068695|0.067062|0.080671|0.077850|0.083751|0.111815|0.149338|0.100137|0.500000| |1.789834|2.080198|2.992486|2.613760|2.709874|3.110954|2.128492|0.052900|2.161692|2.008390|15.197996|3.363743|4.416816|2.160473|3.270172|4.051278|5.126970|2.997014|2.714034|4.144537|4.032189|2.605749|0.064967|2.378744|2.091147|2.180719|2.350909|2.785005|0.087444|2.891092|5.713994|8.599471|17.747042|8.913590|37.732505|0.048021|0.047860|0.047575|0.055999|0.067683|0.050193|0.056142|0.066222|0.054332|0.089433|0.096223|0.061898|0.071749|0.053663|0.054643|0.054602|0.064541|0.059489|0.065910|0.080820|0.091153|0.070319|0.201421|0.500000| |1.808436|2.084012|2.882814|2.487385|2.743004|3.227911|2.311464|0.056803|2.383800|2.305467|18.166539|4.027693|5.577904|2.449003|3.420895|3.847692|4.420712|2.669953|2.322608|3.627842|3.268440|2.099945|0.053664|1.968638|1.738422|1.757762|1.848750|2.133587|0.064551|2.184818|5.405085|5.690138|8.761301|17.787959|55.474213|0.048860|0.049160|0.047151|0.060133|0.074993|0.056805|0.065446|0.075534|0.061050|0.101890|0.075368|0.052967|0.058678|0.045254|0.046210|0.044642|0.051312|0.047871|0.050986|0.059759|0.067745|0.055335|0.122556|0.203475|0.500000| 2122.623761 -12243.516390 4604.598343 -231.250592 -5747.544879 3622.895520 -2124.649359 2.000954 40E1040000000014 44C872AD32B1B8FE 444908E281BC21C9 42647A653B1BFFFD 4092C00000000001 4474A1D6D3A96734