Version2.1 2021-01-12T19:46:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 05-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1c2cc3c(cc2[nH]c(=O)c1[C@H](c4nnnn4C[C@@H]5CCCO5)[NH+]6CCCCC6)OCO3 C06445236 RHF 6-31G(d) (6D,7F) c1c2cc3c(cc2[nH]c(=O)c1[C@H](c4nnnn4C[C@@H]5CCCO5)[NH+]6CCCCC6)OCO3 C01[X(C22H27N6O4)] 171 C1 534 O=c1[nH]c2cc3OCOc3cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCCCC1 O=c1[nH]c2cc3OCOc3cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCCCC1 O=C1Nc2cc3OCOc3cc2C=C1[C@@H]([NH+]4CCCCC4)c5nnnn5C[C@@H]6CCCO6 InChIKey=ZRNVWJMCEYFMAK-MGPUTAFESA-O InChI=1S/C22H26N6O4/c29-22-16(9-14-10-18-19(32-13-31-18)11-17(14)23-22)20(27-6-2-1-3-7-27)21-24-25-26-28(21)12-15-5-4-8-30-15/h9-11,15,20H,1-8,12-13H2,(H,23,29)/p+1/t15-,20+/m0/s1 InChI=1/C22H26N6O4/c29-22-16(9-14-10-18-19(32-13-31-18)11-17(14)23-22)20(27-6-2-1-3-7-27)21-24-25-26-28(21)12-15-5-4-8-30-15/h9-11,15,20H,1-8,12-13H2,(H,23,29)/p+1/t15-,20+/m0/s1/fC22H27N6O4/h23,27H/q+1 c1c2cc3c(cc2[nH]c(=O)c1[C@H](c4nnnn4C[C@@H]5CCCO5)[NH+]6CCCCC6)OCO3 C01[X(C22H27N6O4)] 171 C01 534 O=c1[nH]c2cc3OCOc3cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCCCC1 [O][C]1N[C]2[CH][C]3[C](=[CH][C]2[CH]=C1[C@H]([C]1[N][N][N][N]1C[C@@H]1CCCO1)[NH]1CCCCC1)OCO3 [O][C]1N[C]2[CH][C]3OCOC3=C[C]2C=C1[C@H]([C]4[N][N][N]N4C[C@@H]5CCCO5)[NH]6CCCCC6 InChIKey=WRDSNAVZPWNTJG-MGPUTAFESA-N InChI=1S/C22H27N6O4/c29-22-16(9-14-10-18-19(32-13-31-18)11-17(14)23-22)20(27-6-2-1-3-7-27)21-24-25-26-28(21)12-15-5-4-8-30-15/h9-11,15,20,27H,1-8,12-13H2,(H,23,29)/t15-,20+/m0/s1 InChI=1/C22H27N6O4/c29-22-16(9-14-10-18-19(32-13-31-18)11-17(14)23-22)20(27-6-2-1-3-7-27)21-24-25-26-28(21)12-15-5-4-8-30-15/h9-11,15,20,27H,1-8,12-13H2,(H,23,29)/t15-,20+/m0/s1/f/h23H 3383.2895589609 -1474.7338385 1-A 15157.1474 116 418 534 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0.3210 0.8099 0.5976 0.4450 0.8449 0.8518 0.8330 0.6409 0.6476 0.2796 0.8485 0.3656 0.5401 0.2477 0.3562 0.3438 0.8480 0.1551 0.2144 0.5836 0.6595 0.3046 0.8568 0.7569 0.2753 0.6146 0.5942 0.8571 0.4962 0.4766 0.1593 0.2730 0.8000 0.7627 0.7832 0.8471 0.7654 0.5784 0.7850 0.8370 0.7505 0.3376 0.5762 0.5583 0.5688 0.6734 0.5860 0.3690 0.7284 0.6814 0.5896 0.6370 0.7559 0.8082 0.8546 0.8035 0.8473 0.8290 0.7139 0.4775 0.5377 0.4614 0.8464 0.5319 0.4709 0.5827 0.4547 0.6546 0.6013 0.4273 0.3277 0.3246 0.5429 0.4452 0.7012 0.3753 0.6251 0.8571 0.4459 0.4336 0.5670 0.5936 0.5913 0.2283 0.6870 0.4110 0.6876 0.6029 0.8230 0.8197 0.8552 0.3266 0.8412 0.4552 0.8221 0.7381 0.8569 0.5384 0.5742 0.8426 0.6093 0.3361 0.5727 0.2706 0.7295 0.4124 0.3089 0.3330 0.4756 0.2043 0.2568 0.5386 0.3819 0.8403 0.5670 0.1109 0.7648 0.2472 0.8132 0.4754 0.2463 0.3808 0.8450 0.2052 0.7239 0.6048 0.5154 0.8370 0.5673 0.5752 0.4697 0.4602 0.4078 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 6 6 6 6 6 6 6 7 1 6 8 6 6 1 6 7 7 7 7 6 6 1 6 6 6 8 7 1 6 6 6 6 6 8 6 8 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 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 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 10506.6116 19366.2797 24660.7725 0.99988 0.01024 0.01159 -0.01025 0.99995 0.00005 -0.01159 -0.00017 0.99993 1 0.00824 0.00447 0.00351 0.17177 0.09319 0.07318 34.41 36.77 44.65 64.74 77.67 78.19 85.94 111.31 115.76 125.06 145.80 162.48 185.72 230.25 245.76 296.18 309.89 310.99 341.95 396.04 403.65 422.26 456.61 482.91 507.52 512.33 545.71 590.97 604.20 623.99 657.33 687.09 689.62 711.11 727.85 736.60 754.95 852.76 877.89 913.15 938.06 1007.41 1034.67 1047.05 1091.08 1115.96 1128.17 1156.29 1167.46 1172.11 1174.66 1229.28 1235.73 1260.64 1270.80 1291.09 1306.67 1311.69 1329.80 1338.29 1356.89 1367.42 1396.98 1399.84 1406.94 1423.71 1434.79 1438.09 1464.69 1505.39 1511.37 1548.67 1610.72 1611.80 1617.50 1619.94 1632.47 1644.41 1682.80 1689.85 1695.21 1702.39 1751.73 1768.99 1791.75 1801.27 1804.49 1810.14 1814.45 1829.70 1857.46 1865.93 1897.49 1918.37 1920.36 1928.53 1945.43 1954.79 1958.95 1983.61 1990.90 2001.69 2030.62 2041.80 2064.82 2066.67 2099.31 2106.98 2130.73 2142.01 2151.11 2155.99 2161.77 2175.66 2205.81 2213.98 2220.47 2223.31 2230.54 2249.19 2265.01 2279.34 2282.72 2302.29 2317.95 2332.32 2344.70 2348.06 2352.73 2360.92 2363.02 2365.43 2373.55 2389.19 2395.59 2398.16 2401.17 2426.77 2465.38 2495.96 2571.47 2632.42 2651.98 2707.52 4616.33 4621.63 4635.27 4643.51 4648.43 4651.88 4662.80 4681.56 4689.80 4704.64 4715.09 4716.24 4724.23 4727.76 4734.05 4740.93 4753.97 4784.88 4801.37 4820.98 4825.57 4833.69 4873.96 4895.44 4898.26 4951.90 5513.69 0.532793 0.558014 0.558958 0.474509 -1474.201046 -1474.175825 -1474.174880 -1474.259330 2.832467D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE c1c2cc3c(cc2[nH]c(=O)c1[C@H](c4nnnn4C[C@@H]5CCCO5)[NH+]6CCCCC6)OCO3 C06445236 RHF 6-31G(d) (6D,10F) C1 439.209379 |X|Y|Z| 67.322515 95.220758 39.468689 63.248208 31 6 7 8 22 6 3 |36.858105| |13.308574|36.858105| |7.625065|13.394299|36.858105| |5.152897|8.047637|14.130704|36.858105| |4.569489|6.954238|7.932078|13.589860|36.858105| |5.108403|7.784797|6.687045|7.853837|14.016977|36.858105| |7.883521|13.679982|7.810046|6.950382|8.116195|13.533584|36.858105| |7.028132|8.011039|5.169112|4.626061|5.268027|7.901571|13.827376|53.358707| |5.135940|5.801775|4.240996|4.048158|4.844477|7.351073|9.248643|25.951671|0.500000| |7.847828|6.704136|4.467984|3.796432|3.982485|5.157429|7.816600|19.144218|0.266130|36.858105| |5.356950|4.693622|3.476128|3.076713|3.262943|4.104625|5.401691|11.603991|0.221424|15.615606|73.516695| |14.135274|7.813032|5.096610|3.964437|3.818913|4.521644|6.788502|10.888327|0.161719|13.047534|14.292331|36.858105| |7.627723|4.967592|3.816463|3.085843|2.941794|3.324315|4.404560|6.862465|0.116149|7.390295|11.609636|12.498682|36.858105| |7.220575|4.689317|3.803153|3.030263|2.805079|3.064129|3.950176|5.752388|0.098666|5.557503|8.722520|8.902520|17.659659|0.500000| |5.813303|4.229291|3.413837|2.831339|2.709879|3.022058|3.838585|5.859365|0.103106|5.749038|9.555979|7.666431|12.640530|0.249770|36.858105| |4.941397|3.956288|3.197381|2.742908|2.704922|3.072573|3.828274|6.046188|0.109885|5.773162|10.120122|6.382641|7.691234|0.159427|14.743323|53.358707| |3.930228|3.298739|2.818191|2.461719|2.406343|2.653543|3.159409|4.739863|0.088471|4.152003|7.284817|4.557868|5.348077|0.126086|9.075762|19.461254|53.358707| |3.823742|3.143048|2.757833|2.379860|2.271577|2.446982|2.898624|4.207459|0.077773|3.648652|6.270589|4.252483|5.275347|0.134505|8.904138|12.183122|20.707354|53.358707| |4.635430|3.554628|3.061390|2.565094|2.411296|2.600841|3.167697|4.593958|0.082793|4.136386|6.941397|5.264874|7.473946|0.198188|14.259351|12.163796|12.431798|19.508876|53.358707| |4.068600|3.176024|2.861119|2.397492|2.209558|2.322826|2.768795|3.886954|0.070533|3.374950|5.642642|4.295338|5.816326|0.183737|7.388027|7.247552|7.502926|10.794894|17.753912|36.858105| |4.365253|3.436483|3.230091|2.650476|2.363154|2.418992|2.866923|3.844862|0.069017|3.210580|5.163540|4.169748|5.026682|0.166407|5.637778|5.896721|5.965030|7.714348|10.373109|12.530743|36.858105| |4.379637|3.558130|3.394491|2.792828|2.476977|2.516660|2.961948|3.911637|0.070228|3.195420|5.080989|4.071218|4.596149|0.141256|5.434137|6.054582|6.366204|8.208835|9.821018|8.918221|17.552119|0.500000| |3.359171|2.800286|2.733163|2.309607|2.059019|2.073123|2.382692|3.172027|0.058033|2.583452|4.236573|3.191711|3.703739|0.120909|3.945351|4.421243|4.546473|5.644392|6.740874|7.485339|12.469460|0.244708|36.858105| |3.454883|2.942788|2.988278|2.503913|2.176522|2.145645|2.446194|3.167624|0.057690|2.521082|4.062259|3.120314|3.419541|0.112705|3.419448|3.894967|3.875024|4.538130|5.349931|5.125591|8.038917|0.187546|12.469146|36.858105| |4.463206|3.611707|3.603378|2.897311|2.486995|2.470466|2.895195|3.727864|0.066594|3.007293|4.741442|3.904005|4.263610|0.149950|3.957755|4.337907|4.111704|4.700413|5.855632|5.376839|8.122549|0.179367|8.033036|12.482377|36.858105| |5.606972|4.150792|3.877856|3.049616|2.660083|2.715922|3.296032|4.338587|0.076193|3.636655|5.659977|5.029602|5.880590|0.218188|5.592499|5.688712|5.292767|6.219776|8.501739|7.942057|13.454299|0.258666|8.130791|8.090039|13.367974|73.516695| |5.147240|3.886685|3.090915|2.624197|2.580292|2.945667|3.731425|6.113124|0.110328|6.551231|12.802319|7.621818|12.593151|0.251962|7.678546|8.281604|6.087543|5.833913|7.402842|4.539930|3.809267|0.096394|3.061560|2.828654|3.396653|7.534447|53.358707| |4.944703|3.923912|3.064555|2.650523|2.675141|3.136860|3.983558|6.978154|0.128851|7.973514|18.975460|7.558909|9.427759|0.183218|6.937389|8.727145|6.170135|5.554825|6.567840|3.895833|3.340114|0.087498|2.712914|2.526733|2.971935|6.468572|25.363825|0.500000| |4.758184|3.743998|3.041426|2.601621|2.552718|2.885096|3.588482|5.701563|0.104102|5.605912|10.503753|6.279251|7.669718|0.202598|5.002425|5.685846|4.534070|4.451855|5.462559|3.694695|3.322217|0.083389|2.805986|2.702035|3.311710|6.870362|17.255723|0.259040|36.858105| |3.528848|2.998787|2.513853|2.232186|2.238603|2.529023|3.004150|4.805875|0.092878|4.424451|9.034920|4.392666|4.972295|0.129825|3.832488|4.699473|3.892673|3.769790|4.378700|2.984396|2.673439|0.068182|2.342096|2.249653|2.645761|5.289217|10.413456|0.200010|12.506844|36.858105| |2.972903|2.535766|2.178145|1.947161|1.941113|2.158548|2.515305|3.941173|0.076892|3.552554|7.228636|3.608459|4.340715|0.115499|3.653535|4.511596|3.873263|3.806863|4.361516|3.020047|2.613138|0.066115|2.328045|2.180771|2.493483|4.975444|8.816562|0.164352|7.562043|12.468386|36.858105| |3.078989|2.588284|2.204008|1.961538|1.956144|2.185789|2.568046|4.073975|0.079256|3.769484|7.861112|3.841405|4.919881|0.124442|4.445877|5.573752|4.755637|4.616895|5.247069|3.478642|2.861573|0.072732|2.492042|2.264580|2.551301|5.264468|10.429416|0.198015|6.547923|7.607902|12.469348|36.858105| |3.810169|3.033532|2.541330|2.204299|2.161759|2.411461|2.915791|4.596608|0.086225|4.443089|8.810435|4.939972|7.485493|0.183742|6.641936|7.464330|6.075604|6.052454|7.474014|4.759528|3.697019|0.092007|3.068094|2.725496|3.131430|6.811898|17.284069|0.255283|7.718720|6.517417|7.522547|12.485000|36.858105| |3.471914|4.697135|5.437567|8.551117|14.287322|7.871455|5.245060|5.382084|0.106399|3.148462|4.802760|3.014364|2.439681|0.065217|2.286639|3.127433|2.845051|2.699600|2.826217|1.926992|2.057287|0.059895|1.831807|1.939759|2.168670|4.044382|2.980085|0.062926|2.178579|1.955335|1.719348|1.726602|1.879548|73.516695| |3.225726|4.205841|5.364923|8.560366|8.566648|5.358357|4.219661|4.448952|0.086110|2.744508|4.214308|2.742921|2.279065|0.062187|2.150665|2.899530|2.680650|2.589458|2.715404|1.887360|2.054706|0.060052|1.856726|2.000883|2.216197|4.040873|2.761129|0.057338|2.024520|1.809956|1.608789|1.613451|1.764165|23.884118|36.858105| |3.866243|5.183765|7.800023|14.103918|8.517736|5.392764|4.680217|4.760008|0.088524|2.991348|4.490832|3.120704|2.567283|0.071078|2.400221|3.171534|2.919498|2.855320|3.040228|2.130821|2.373058|0.069559|2.129996|2.338490|2.632263|4.765579|3.032844|0.062121|2.223515|1.945051|1.723409|1.729699|1.921456|14.921704|13.523604|73.516695| |17.714007|8.827704|7.033338|4.713018|3.966831|4.144997|5.632299|6.849357|0.110605|5.592243|7.608183|9.094078|7.111959|0.219526|5.671223|6.203716|5.197176|5.342032|6.700202|4.617996|5.370561|0.147023|4.020840|4.266846|5.920584|13.793181|6.443868|0.120040|4.434024|3.291451|2.854447|2.950857|3.700269|5.584057|3.044442|6.631626|0.500000| |6.921138|8.745254|17.745159|8.989777|5.629645|4.856821|5.578526|5.694665|0.097474|3.879180|5.532833|4.651176|3.724352|0.107535|3.361017|4.172905|3.754101|3.779220|4.244425|3.015140|3.553455|0.103810|3.039158|3.451057|4.227945|7.787515|4.060256|0.080189|2.945184|2.420411|2.126776|2.150201|2.499304|7.791915|4.648890|12.197356|0.209771|0.500000| |4.147904|5.561050|4.857346|5.597588|8.943034|17.750373|8.750850|9.675265|0.217091|4.721998|7.105384|3.928508|3.004146|0.076261|2.767964|3.911812|3.400750|3.102156|3.249497|2.125821|2.176063|0.062646|1.883340|1.928875|2.190086|4.267288|3.754225|0.083003|2.702829|2.440012|2.091806|2.117305|2.289565|12.315742|4.655822|7.758714|0.095637|0.105931|0.500000| |3.922746|3.045759|2.727895|2.293997|2.125367|2.244060|2.675931|3.800704|0.069230|3.344417|5.690001|4.246768|6.052184|0.205139|6.682255|6.498756|6.321754|8.142319|12.439616|17.609485|8.886745|0.174977|6.662430|4.867532|5.372818|13.203750|6.865253|0.114652|4.184614|3.340626|3.446871|3.944153|5.562764|3.301628|1.814063|3.628018|0.122722|0.079573|0.057304|0.500000| |3.346861|2.733955|2.507452|2.150331|1.998334|2.089861|2.436567|3.420675|0.063194|2.909310|4.962458|3.516851|4.499115|0.134813|5.738340|6.345674|7.154686|10.753166|12.788178|17.647050|8.873179|0.207306|6.996359|4.599689|4.417975|10.189324|5.155413|0.093253|3.140425|2.649033|2.744593|3.185341|4.145322|3.142590|1.737288|3.448873|0.102838|0.073113|0.053709|0.301691|0.500000| |3.095810|2.577972|2.484244|2.120674|1.915348|1.944142|2.230542|3.015615|0.055562|2.480852|4.140335|3.029857|3.614954|0.119264|3.770998|4.209665|4.291136|5.283008|6.362034|7.234394|8.807564|0.174291|17.523959|8.811951|6.854815|12.061305|4.231256|0.075506|2.882849|2.428332|2.461155|2.624691|3.218663|3.041418|1.723372|3.478477|0.100638|0.075587|0.049467|0.206241|0.194073|0.500000| |2.956047|2.536087|2.498380|2.151965|1.931704|1.937312|2.194076|2.920412|0.053972|2.349699|3.885426|2.823686|3.210992|0.100382|3.533421|4.126874|4.396363|5.487058|6.083777|6.274826|8.729134|0.220102|17.603671|8.663899|5.710412|10.360812|3.686165|0.068017|2.466047|2.104719|2.109479|2.275467|2.747413|3.087311|1.766037|3.569096|0.095479|0.076515|0.049222|0.149118|0.185380|0.301319|0.500000| |2.972983|2.590393|2.648299|2.266917|1.986136|1.951151|2.192918|2.849965|0.052452|2.253058|3.675824|2.723066|2.968769|0.096775|2.926950|3.394154|3.376172|3.891878|4.492366|4.200838|5.715173|0.136898|8.678990|17.604646|8.727683|10.359253|3.470391|0.063494|2.489912|2.113808|2.064620|2.114876|2.489348|3.186172|1.856446|3.820041|0.098963|0.084148|0.049115|0.115837|0.108571|0.217179|0.194502|0.500000| |3.380225|2.969855|3.105579|2.617753|2.246895|2.182080|2.458256|3.129716|0.057082|2.442993|3.906341|2.984015|3.152105|0.100367|3.208657|3.756765|3.778938|4.370873|4.966953|4.474234|6.861566|0.188311|8.822686|17.567468|8.817446|11.893340|3.534164|0.065682|2.465730|2.072429|1.995657|2.078650|2.474942|3.578327|2.103078|4.404104|0.115136|0.101278|0.054278|0.113389|0.114290|0.173958|0.217028|0.301756|0.500000| |4.074672|3.311016|3.247153|2.660840|2.324768|2.330036|2.720211|3.564207|0.064184|2.902688|4.656807|3.711740|4.153081|0.149453|3.703308|4.058166|3.803392|4.298232|5.361412|4.913488|6.353849|0.138830|6.638240|8.760533|17.565693|16.540067|4.722857|0.082954|3.519535|2.813276|2.661299|2.663514|3.237886|3.625972|2.070183|4.310159|0.142967|0.102923|0.057939|0.148407|0.113629|0.184422|0.135317|0.219786|0.174430|0.500000| |4.770166|4.002517|4.197556|3.304492|2.747215|2.670357|3.110921|3.875847|0.068837|3.040252|4.702903|3.918701|3.980019|0.134710|3.620950|4.084485|3.828039|4.240341|5.122921|4.337570|6.086434|0.152524|5.772928|8.684157|17.610207|16.546019|4.325136|0.078861|3.159125|2.537565|2.341614|2.366616|2.848422|4.239582|2.473702|5.358734|0.180342|0.144535|0.064843|0.118408|0.101524|0.138190|0.127459|0.191721|0.220829|0.301050|0.500000| |4.500233|3.511156|2.954871|2.507544|2.405553|2.645007|3.236824|4.880615|0.088869|4.540346|8.069695|5.446333|6.980686|0.219161|4.728988|5.182814|4.296188|4.384151|5.501026|3.963021|3.595547|0.087484|3.089180|2.987791|3.736202|7.611127|12.412261|0.181571|17.585722|8.781299|6.819351|5.814618|7.110232|3.679646|1.957923|3.861484|0.124295|0.081718|0.068204|0.130340|0.092537|0.089964|0.074004|0.077018|0.074067|0.114799|0.096904|0.500000| |5.621588|4.445531|3.498637|2.964601|2.920219|3.349047|4.280029|6.840824|0.121572|6.708310|11.610566|7.399574|7.310995|0.190833|4.691333|5.457854|4.326199|4.195662|5.076373|3.413864|3.213230|0.082220|2.705562|2.677895|3.334615|6.834701|12.362003|0.224008|17.674734|8.805961|5.500321|4.900341|5.626902|4.353638|2.252296|4.419480|0.138492|0.092291|0.086099|0.103620|0.080572|0.075650|0.066180|0.068300|0.068827|0.097041|0.091305|0.301391|0.500000| |3.250936|2.833727|2.425758|2.173272|2.174652|2.426658|2.828609|4.394996|0.085447|3.844657|7.495914|3.841603|4.142993|0.112998|3.248973|3.996178|3.388498|3.316869|3.821906|2.676264|2.464504|0.062885|2.204870|2.158153|2.540951|4.926186|7.599283|0.145944|8.971750|17.571973|8.787688|5.514984|4.890764|3.405590|1.781830|3.397450|0.085228|0.065157|0.065095|0.082976|0.066436|0.063626|0.055052|0.057003|0.055253|0.076010|0.068425|0.213567|0.213781|0.500000| |3.465011|3.027705|2.508367|2.258495|2.313235|2.665577|3.151214|5.233100|0.104105|4.815098|10.623354|4.377433|4.652067|0.115646|3.703598|4.755716|3.897717|3.671577|4.156270|2.756485|2.482085|0.064566|2.163183|2.080164|2.419423|4.854050|9.397399|0.212580|8.904362|17.540458|8.808766|6.783173|5.691608|3.591822|1.843839|3.481705|0.087230|0.065928|0.072650|0.083304|0.068620|0.061488|0.054626|0.054107|0.053969|0.070079|0.065237|0.173430|0.215568|0.303434|0.500000| |2.850880|2.421442|2.115636|1.883942|1.853617|2.029404|2.352383|3.587067|0.069308|3.173907|6.176109|3.353235|4.085955|0.114878|3.455346|4.160811|3.653362|3.690806|4.279103|3.089310|2.683771|0.066807|2.438313|2.284825|2.611453|5.123383|7.659823|0.134955|6.766274|8.843488|17.519463|8.841286|6.723715|2.930820|1.559714|2.988042|0.078000|0.058190|0.054206|0.100576|0.078109|0.072905|0.060932|0.060692|0.057367|0.079057|0.067359|0.199192|0.139122|0.215142|0.173311|0.500000| |2.590777|2.272329|1.975075|1.793245|1.804008|2.002616|2.288320|3.574062|0.071154|3.123573|6.402453|3.076548|3.533199|0.093728|3.087358|3.939957|3.450292|3.363153|3.744175|2.597795|2.279440|0.058405|2.061395|1.942068|2.186207|4.292714|6.640573|0.132206|5.510007|8.832873|17.587485|8.843147|5.496226|2.871618|1.509205|2.845288|0.068868|0.053383|0.054555|0.080719|0.066834|0.060337|0.052524|0.051469|0.049794|0.064468|0.057533|0.139294|0.123349|0.208891|0.214802|0.303473|0.500000| |2.693808|2.295186|1.993543|1.786642|1.774888|1.958713|2.264489|3.516953|0.068814|3.150650|6.383830|3.242761|4.091451|0.107023|3.931023|4.990638|4.484770|4.443407|4.921530|3.356532|2.730716|0.069318|2.431180|2.180926|2.401709|4.892151|7.610538|0.144629|4.910543|5.514521|8.786066|17.573779|8.972942|2.813588|1.490256|2.833192|0.072978|0.054481|0.052816|0.106043|0.088100|0.072036|0.062326|0.057050|0.055517|0.069747|0.061399|0.130345|0.107959|0.123172|0.138729|0.215005|0.209142|0.500000| |3.008283|2.580944|2.180919|1.961999|1.986739|2.248993|2.629173|4.272754|0.084871|3.953982|8.733381|3.794312|4.596881|0.111362|4.286632|5.741174|4.840799|4.506171|4.933325|3.159588|2.638832|0.068605|2.286455|2.091105|2.339689|4.828236|9.385139|0.209393|5.698561|6.784430|8.823343|17.532934|8.899160|3.121168|1.624376|3.067133|0.078314|0.058342|0.061286|0.095664|0.081163|0.065793|0.058681|0.054095|0.054079|0.066782|0.061126|0.133189|0.127516|0.138795|0.197594|0.173439|0.215622|0.303820|0.500000| |3.676408|2.958007|2.488056|2.167928|2.131171|2.376188|2.857273|4.498042|0.084837|4.298266|8.505959|4.714899|6.992098|0.164446|7.777857|9.240506|7.640652|7.474654|8.877943|5.176487|3.824435|0.097191|3.119869|2.702627|3.023298|6.691618|12.351393|0.220617|5.621975|4.898560|5.498795|8.848021|17.680668|3.302749|1.743994|3.366822|0.099165|0.067900|0.062854|0.158753|0.128701|0.089757|0.079045|0.067953|0.068937|0.084573|0.076224|0.145006|0.126661|0.107831|0.127996|0.138568|0.123614|0.214498|0.217635|0.500000| |3.682180|2.911620|2.495059|2.149971|2.073546|2.269542|2.722365|4.139295|0.077057|3.859117|7.226445|4.511547|6.846981|0.196159|6.031670|6.415009|5.527508|5.874318|7.558680|5.369426|4.086725|0.097645|3.450517|3.022407|3.488292|7.542806|12.390806|0.180033|7.072420|5.756314|6.752402|8.770378|17.581154|3.219602|1.722132|3.361875|0.103680|0.069506|0.059340|0.192696|0.127947|0.103813|0.084153|0.077059|0.074466|0.102827|0.085792|0.216114|0.144951|0.129101|0.132481|0.196534|0.138474|0.214164|0.173371|0.300332|0.500000| |2.923847|3.685442|4.556641|6.516250|6.529671|4.560237|3.698017|4.027064|0.078651|2.522653|3.919674|2.522046|2.132067|0.058049|2.053279|2.795350|2.622096|2.532092|2.620241|1.820396|1.981363|0.058485|1.798730|1.926828|2.095780|3.828170|2.583488|0.053703|1.871378|1.681791|1.512346|1.528918|1.670786|16.557792|17.655071|16.548920|0.077439|0.113661|0.114108|0.048258|0.046946|0.046218|0.048006|0.049670|0.056728|0.054084|0.064439|0.050362|0.057098|0.045779|0.047603|0.040751|0.039508|0.039461|0.042840|0.046261|0.045308|0.500000| |2.883810|3.630867|4.486416|6.408052|6.423433|4.493087|3.643959|3.978718|0.077836|2.494230|3.887162|2.490012|2.100619|0.057739|1.967233|2.637170|2.442192|2.371260|2.494013|1.750597|1.899918|0.054938|1.739251|1.883095|2.081911|3.741888|2.583311|0.053467|1.921330|1.734806|1.542396|1.532309|1.660317|16.562301|17.675316|16.565061|0.076342|0.112191|0.112748|0.047141|0.044895|0.045176|0.045922|0.049064|0.054678|0.054651|0.064501|0.051845|0.059314|0.047895|0.048990|0.041679|0.040378|0.039404|0.042755|0.045324|0.045192|0.296869|0.500000| 1472.947391 -10188.579924 4054.337079 -196.728238 -4858.023693 3383.289802 -1474.733890 2.001213 41175FE000000018 44B074C193AB4E7D 4432149B8D5ED37D 42A2F415B7B21005 C078C00000000001 45043F7E4D9CC5E3