Version2.4 2021-06-07T04:34:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCNC(=O)[C@@H](c1c(cc(cc1O)O)O)N(Cc2ccco2)C(=O)c3cc(ccc3[O-])[N+](=O)[O-] C36499660 RHF 6-31G(d) (6D,7F) CCCCNC(=O)[C@@H](c1c(cc(cc1O)O)O)N(Cc2ccco2)C(=O)c3cc(ccc3[O-])[N+](=O)[O-] C01[X(C24H24N3O9)] 174 C1 588 CCCCNC(=O)[C@H](N(C(=O)c1cc(ccc1[O-])[N+](=O)[O-])Cc1ccco1)c1c(O)cc(cc1O)O CCCCNC(=O)[C@H](N(C(=O)c1cc(ccc1[O-])[N+](=O)[O-])Cc1ccco1)c1c(O)cc(cc1O)O CCCCNC(=O)[C@H](N(Cc1occc1)C(=O)c2cc(ccc2[O-])[N+]([O-])=O)c3c(O)cc(O)cc3O InChIKey=AQSKZFKBDMPKGM-JOCHJYFZSA-M InChI=1S/C24H25N3O9/c1-2-3-8-25-23(32)22(21-19(30)11-15(28)12-20(21)31)26(13-16-5-4-9-36-16)24(33)17-10-14(27(34)35)6-7-18(17)29/h4-7,9-12,22,28-31H,2-3,8,13H2,1H3,(H,25,32)/p-1/t22-/m1/s1 InChI=1/C24H25N3O9/c1-2-3-8-25-23(32)22(21-19(30)11-15(28)12-20(21)31)26(13-16-5-4-9-36-16)24(33)17-10-14(27(34)35)6-7-18(17)29/h4-7,9-12,22,28-31H,2-3,8,13H2,1H3,(H,25,32)/p-1/t22-/m1/s1/fC24H24N3O9/h29h,25H/q-1 CCCCNC(=O)[C@@H](c1c(cc(cc1O)O)O)N(Cc2ccco2)C(=O)c3cc(ccc3[O-])[N+](=O)[O-] C01[X(C24H24N3O9)] 174 C01 588 CCCCNC(=O)[C@H](N(C(=O)c1cc(ccc1[O-])[N+](=O)[O-])Cc1ccco1)c1c(O)cc(cc1O)O CCCC[NH][C]([O])[C@H](N(C(=O)[C]1[CH][C]([CH][CH][C]1[O])[N]([O])[O])CC1=[CH][CH]=CO1)[C]1[C]([CH][C]([CH][C]1O)O)O CCCCN[C]([O])[C@@H]([C]1[C](O)[CH][C](O)[CH][C]1O)N(Cc2occc2)C(=O)[C]3[CH][C]([CH][CH][C]3[O])N([O])[O] InChIKey=DLULBRFPODSCOC-JOCHJYFZSA-N InChI=1S/C24H24N3O9/c1-2-3-8-25-23(32)22(21-19(30)11-15(28)12-20(21)31)26(13-16-5-4-9-36-16)24(33)17-10-14(27(34)35)6-7-18(17)29/h4-7,9-12,22,28,30-31H,2-3,8,13H2,1H3,(H,25,32)/t22-/m1/s1 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7.5633 7.7250 7.8763 8.3509 8.6563 10.2386 10.6569 0.4507 0.1569 0.1340 1.1129 1.0016 0.7452 1.0257 0.4170 0.0916 0.3800 0.2211 2.3995 1.5221 4.7883 2.9782 0.3267 1.7305 4.8573 9.8566 0.7408 5.3122 2.3533 2.1521 0.8455 7.7765 7.7768 1.5845 0.3090 6.7350 6.4853 6.8838 12.0254 103.4949 14.0364 11.2285 13.2272 8.8443 4.5818 13.9352 5.3239 6.2755 22.9894 43.0302 44.0981 20.2307 8.6000 6.0201 21.4847 10.6560 5.9509 6.1046 11.5234 20.2325 8.3388 1.6648 7.3508 39.3872 60.7927 7.4065 0.9694 30.8017 9.8698 1.8344 91.4157 39.8874 74.1872 5.5664 5.7849 81.7587 38.4855 98.2067 14.9132 41.5147 59.3381 33.3299 13.2844 68.1860 2.0535 0.9547 5.8565 0.7400 12.4735 9.2101 6.8768 17.0410 12.2513 8.9822 2.6433 38.7721 1.5692 18.3920 5.0273 49.5238 4.2236 22.7539 19.8252 151.2767 299.5855 3.5974 112.1684 32.1142 30.2910 37.1966 121.6973 88.6079 43.0372 76.1484 45.4235 172.7895 8.4579 16.0660 130.5471 91.6548 49.2898 234.0573 40.7886 2.1629 5.6526 9.4974 6.2939 19.5771 20.0017 23.3069 199.2834 1531.4868 205.1184 18.4570 187.4302 31.6474 27.8496 61.0258 1.0490 46.8518 1.3541 4.0134 36.2356 3.2331 14.7718 52.0001 18.5616 30.2636 310.7034 383.9237 329.5956 152.6901 458.1342 882.9727 229.7347 187.2904 361.8583 27.1180 23.5114 58.8287 25.7141 37.5617 6.8580 82.8113 53.6059 86.6443 12.5629 3.2889 15.5108 17.0826 1.4176 1.7640 6.8266 0.8349 13.1655 2.3031 5.4788 807.9167 1008.4068 536.3938 73.8014 0.0672 1.1612 4.2244 2.4746 1.0411 2.1282 1.6347 2.2618 1.2914 1.2001 1.6550 1.5816 1.4762 1.0775 1.6053 0.2592 0.7211 1.4095 0.4431 1.3988 2.5126 2.9403 0.6314 0.3152 1.6976 1.5665 0.8529 0.9069 1.0959 1.9520 2.4797 1.0480 1.1530 3.1673 0.8514 0.5758 2.1981 1.3199 1.1544 1.6801 2.7067 3.3390 2.8716 2.9274 0.2725 0.7503 4.7426 2.4578 0.9549 16.3998 1.0089 1.3763 0.7672 4.0614 0.1227 1.7427 1.9007 1.2153 9.4888 0.0937 3.2863 1.8530 2.1662 0.6016 1.9490 0.6539 0.8732 2.6338 1.3169 2.0746 2.8517 2.5854 11.3078 1.7645 6.0059 2.2387 5.1954 12.4632 7.2981 10.7000 1.9512 11.0056 6.6522 5.2916 1.5805 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0.8253 0.5020 0.1722 0.8132 0.4463 0.5516 0.3555 0.4399 0.4269 0.5706 0.7086 0.3198 0.2629 0.2682 0.5891 0.5598 0.4625 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 6 6 7 6 8 6 1 6 6 6 6 6 6 8 8 8 7 6 6 6 6 6 8 6 8 6 6 6 6 6 6 8 7 8 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 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 15.99491 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 16510.2001 18987.1164 26471.8694 0.99798 -0.06335 0.00392 0.06338 0.99796 -0.00816 -0.00339 0.00840 0.99996 1 0.00525 0.00456 0.00327 0.10931 0.09505 0.06818 15.07 30.02 34.99 42.49 49.20 60.23 68.84 78.12 85.26 97.25 112.66 120.69 137.89 157.57 177.36 178.58 208.36 226.43 245.84 250.67 284.68 305.20 322.01 342.01 358.47 376.82 381.21 385.90 387.39 410.50 446.31 484.25 519.06 527.95 539.61 579.14 582.74 605.63 622.10 630.46 683.24 693.96 706.45 730.03 790.55 799.52 833.26 848.98 859.36 935.97 944.63 950.29 961.44 976.67 996.27 1002.67 1035.32 1045.71 1101.24 1140.06 1150.36 1156.08 1191.95 1208.90 1221.67 1224.27 1249.75 1258.18 1265.38 1275.16 1296.03 1303.80 1315.09 1329.05 1333.33 1344.04 1351.82 1397.50 1400.51 1409.57 1423.20 1467.21 1482.62 1485.18 1534.71 1562.50 1579.79 1596.85 1601.30 1604.99 1605.78 1643.03 1662.93 1701.93 1712.67 1744.28 1746.17 1796.10 1800.00 1812.38 1825.76 1841.09 1858.08 1861.71 1870.75 1917.10 1928.92 1939.66 1969.73 1970.77 1991.37 2009.54 2033.65 2039.46 2052.77 2063.16 2074.21 2096.89 2116.92 2179.87 2185.85 2189.94 2206.13 2221.28 2230.11 2245.05 2249.31 2253.85 2264.37 2283.57 2317.70 2354.18 2356.12 2362.36 2365.33 2374.01 2380.72 2400.69 2410.07 2417.96 2453.61 2497.84 2556.80 2572.23 2590.64 2592.61 2595.96 2630.47 2696.18 2753.40 4579.37 4595.25 4600.26 4610.48 4616.75 4662.71 4680.97 4691.90 4713.03 4744.36 4832.31 4841.20 4860.30 4883.79 4914.69 4920.59 4928.17 4931.69 4969.23 5003.31 5200.41 5329.38 5805.03 5925.23 0.502321 0.533695 0.534639 0.435091 -1759.351412 -1759.320038 -1759.319094 -1759.418642 3.338856D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CCCCNC(=O)[C@@H](c1c(cc(cc1O)O)O)N(Cc2ccco2)C(=O)c3cc(ccc3[O-])[N+](=O)[O-] C36499660 RHF 6-31G(d) (6D,10F) C1 498.151255 |X|Y|Z| 90.817299 80.407018 50.595860 71.756158 21 6 7 8 19 1 1 |36.858105| |12.464335|36.858105| |7.482058|12.458679|36.858105| |4.878163|7.504696|12.489483|36.858105| |3.821784|5.004894|7.811897|13.153136|53.358707| |3.062789|3.853668|5.164335|7.859629|19.591615|36.858105| |2.881468|3.664262|4.528961|6.950700|11.653117|15.580662|73.516695| |2.588554|3.061176|3.949246|5.022301|10.728351|12.318089|13.843814|36.858105| |2.716526|3.149082|4.180326|4.962082|10.832537|9.158213|10.578363|17.770634|0.500000| |2.230784|2.576617|3.160682|3.839977|7.057430|7.277596|11.079126|12.392180|0.252023|36.858105| |2.072300|2.322431|2.816990|3.216971|5.677244|5.065103|7.755679|7.562419|0.210171|13.509379|36.858105| |1.836427|2.029772|2.386364|2.673933|4.445555|3.842898|6.307492|4.982571|0.135935|7.758388|13.772690|36.858105| |1.738947|1.934539|2.231094|2.536535|4.093134|3.609569|6.296228|4.373959|0.112348|6.750102|7.999000|13.799568|36.858105| |1.821114|2.063695|2.377244|2.792678|4.498706|4.170583|7.674376|4.890143|0.116922|7.803136|6.932836|7.960361|13.822856|36.858105| |2.052822|2.376439|2.805699|3.433945|5.794902|5.895595|10.853080|7.234021|0.154908|13.550313|7.989569|6.861124|7.933317|13.696687|36.858105| |2.085865|2.457555|2.847569|3.603163|5.805569|6.033135|13.128117|6.181289|0.130518|7.858227|5.220058|4.636059|5.334400|8.310768|14.239095|73.516695| |1.565165|1.718460|1.943954|2.166470|3.389383|2.884989|5.100307|3.338994|0.087889|4.564360|5.286087|8.135935|14.092175|7.989520|5.221413|7.242219|73.516695| |2.140255|2.355396|2.893355|3.170204|5.626142|4.594799|6.736050|6.673595|0.226768|7.867782|14.113900|8.297602|5.336582|4.653551|5.218576|7.011627|7.304346|73.516695| |2.407240|2.811508|3.505510|4.324571|8.236370|7.803300|10.655976|12.990338|0.259718|7.479201|5.569090|4.083264|3.687343|4.086681|5.562817|9.281068|5.225062|9.340119|53.358707| |2.199651|2.578542|3.064596|3.824444|6.512888|6.214698|10.315295|7.531484|0.156518|5.933485|4.429696|3.567694|3.459656|4.028605|5.398824|10.227383|5.012630|7.039366|17.769938|36.858105| |1.882896|2.154259|2.493726|2.982031|4.878454|4.466879|7.746656|5.574332|0.124440|5.457984|4.376021|3.742832|3.743352|4.348641|5.411583|9.842516|5.477679|6.743761|10.431559|12.687294|36.858105| |1.723902|1.963645|2.223040|2.640556|4.159121|3.769381|6.943460|4.378242|0.100282|4.687793|3.862974|3.543504|3.785092|4.559140|5.269128|10.188201|5.693140|5.806879|7.024580|7.333506|14.188861|36.858105| |1.550345|1.733959|1.946593|2.242985|3.498346|3.043103|5.456934|3.579085|0.086480|3.915774|3.524478|3.387293|3.597858|4.033955|4.247052|7.564266|5.649585|5.437823|5.634134|5.130403|8.561592|13.225390|36.858105| |1.577473|1.751991|1.986288|2.260137|3.581194|3.061907|5.272245|3.750996|0.092834|3.980810|3.717818|3.482119|3.484531|3.706762|3.976491|6.727445|5.426292|5.955319|6.193312|5.316973|8.773180|8.607659|14.234965|36.858105| |1.763672|1.977858|2.284041|2.633819|4.293944|3.722329|6.209532|4.783143|0.115727|4.746232|4.240527|3.692769|3.551405|3.830726|4.433106|7.463024|5.319969|6.879342|8.865487|7.796861|14.157871|8.654367|8.641454|14.190822|73.516695| |2.351890|2.668160|3.299698|3.786093|6.822730|5.440235|7.687691|7.551566|0.207895|5.276681|4.647371|3.557019|3.133251|3.289701|4.088777|6.762222|4.608770|8.736842|18.769359|7.921242|5.947061|4.201983|3.680472|4.299655|10.883017|36.858105| |2.192291|2.462284|2.939242|3.316197|5.543787|4.322928|6.553391|5.298319|0.141824|4.109250|3.682684|2.997242|2.722587|2.868850|3.447539|5.926497|4.115856|6.785829|11.606224|7.254855|5.818457|4.145580|3.714088|4.426059|11.214962|15.848031|73.516695| |2.363097|2.601944|3.247845|3.499043|6.256833|4.625504|6.487677|6.308616|0.213455|4.812755|4.795628|3.655064|3.063068|3.054428|3.630605|5.758405|4.559935|10.380575|10.285971|5.002900|4.278195|3.320785|3.066263|3.577067|8.204015|12.619333|14.474670|36.858105| |2.036752|2.196150|2.641338|2.795646|4.726015|3.561832|5.293027|4.687711|0.148209|4.099970|4.388323|3.558902|2.961243|2.859770|3.238277|5.086645|4.514787|9.629497|7.424914|4.147714|3.931968|3.143299|3.063295|3.710498|8.176797|7.814365|11.710544|13.800591|36.858105| |1.954139|2.058017|2.444159|2.500112|4.100607|3.002566|4.537816|3.735208|0.120117|3.410637|3.804485|3.238162|2.680203|2.525669|2.768013|4.353312|4.198308|8.651126|5.445272|3.203612|3.078190|2.586779|2.561533|3.017050|6.230569|5.092127|8.075731|7.900650|13.723980|36.858105| |2.136911|2.213759|2.652968|2.622211|4.266501|2.995570|4.483940|3.575849|0.119384|3.202834|3.551431|3.019229|2.504904|2.366780|2.599479|4.118513|3.941040|8.226065|4.941900|2.893926|2.694864|2.300266|2.234978|2.544706|5.206811|4.432765|6.919949|6.803421|7.882027|13.541825|36.858105| |2.519402|2.623985|3.256412|3.159136|5.254080|3.522884|5.110105|4.121177|0.144824|3.479502|3.722009|3.053435|2.548374|2.457406|2.769831|4.424022|3.947774|8.581940|5.533799|3.128978|2.787632|2.357914|2.228820|2.493387|5.197589|4.934805|7.377653|7.804410|6.865155|7.957319|14.046417|36.858105| |2.732739|2.966185|3.834067|3.893824|6.959532|4.615005|6.347384|5.605088|0.208440|4.248087|4.271546|3.318148|2.789458|2.769988|3.257999|5.232983|4.208483|9.523191|7.738035|4.018488|3.384544|2.763165|2.537191|2.840963|6.175217|7.335421|9.869721|13.211551|7.768023|6.717507|7.766932|13.221409|36.858105| |3.305196|3.676378|5.093305|5.057634|9.362628|5.457054|7.232011|5.868092|0.215541|4.189043|3.968912|3.100653|2.679372|2.729276|3.269381|5.403808|4.038710|8.263408|7.646548|4.045373|3.257275|2.690786|2.411639|2.625121|5.668443|6.436930|8.928341|8.067915|5.297475|4.671221|5.326923|8.137571|15.328926|73.516695| |1.708526|1.784325|2.067838|2.113682|3.371442|2.501444|3.898347|3.035868|0.093517|2.907513|3.273309|2.950514|2.485547|2.310953|2.455837|3.883567|4.003538|7.085687|4.415784|2.753167|2.758315|2.386799|2.441307|2.891509|5.696297|3.916446|6.580406|5.141685|7.828767|13.413930|7.774474|5.164103|4.476099|6.159760|53.358707| |1.598379|1.681730|1.932599|2.006380|3.186490|2.414008|3.817726|2.944614|0.087755|2.876988|3.208509|2.947267|2.524136|2.351656|2.476425|3.927778|4.091129|6.633488|4.391341|2.822649|2.931745|2.548256|2.679050|3.259918|6.287613|3.853242|6.684493|4.666874|7.048209|8.419445|5.389779|4.092096|3.847562|5.484616|21.540503|73.516695| |1.639817|1.688890|1.936678|1.947019|3.050545|2.233591|3.513031|2.632817|0.081166|2.542315|2.864570|2.643376|2.247973|2.079809|2.182403|3.474648|3.684872|6.151960|3.731296|2.362894|2.354876|2.080265|2.124561|2.455942|4.741388|3.205394|5.413635|4.080737|5.421271|8.435688|7.041102|4.692094|3.852390|5.498286|21.509805|16.022097|73.516695| |17.534994|8.765714|5.456034|4.048211|4.390031|2.686202|4.600255|2.292266|0.065938|2.009752|1.870168|1.678313|1.604500|1.682810|1.878463|3.419676|2.589392|3.405271|2.932950|2.006434|1.737360|1.607075|1.450922|1.468725|2.893925|2.102656|3.528883|2.095499|1.833005|1.762328|1.908726|2.207714|2.373115|4.970214|2.123399|2.611077|2.670910|0.500000| |17.536024|8.776705|6.780075|4.509604|5.033301|2.986627|4.961084|2.560057|0.075603|2.239263|2.109467|1.877918|1.769179|1.835723|2.052872|3.660772|2.838630|3.899351|3.180393|2.112960|1.827305|1.677860|1.516993|1.545036|3.058248|2.279455|3.737707|2.332695|2.023141|1.963248|2.169581|2.560323|2.724529|5.804810|2.339017|2.842996|2.950229|0.301454|0.500000| |17.540318|8.779453|6.789438|4.507787|5.047328|2.962584|4.864335|2.563997|0.075520|2.186865|2.045694|1.805244|1.696357|1.766157|1.991579|3.573651|2.714119|3.805164|3.309127|2.205758|1.885799|1.712479|1.547989|1.588839|3.170766|2.430507|4.058142|2.466573|2.124044|2.047847|2.258832|2.683440|2.892306|6.248630|2.426967|2.950040|3.047680|0.301407|0.301860|0.500000| |8.861384|17.502854|8.848099|6.904228|6.317999|3.752454|6.609656|2.946408|0.082872|2.547252|2.287276|2.022361|1.951429|2.095294|2.397304|4.450877|3.093437|4.056730|3.620920|2.476745|2.093419|1.935814|1.705768|1.705319|3.391346|2.473984|4.051750|2.398375|2.047853|1.920007|2.047494|2.389715|2.680502|5.753740|2.287092|2.831885|2.831272|0.212619|0.210788|0.173001|0.500000| |8.865229|17.508038|8.853681|6.888122|6.339145|3.702525|6.383070|2.950451|0.082708|2.470075|2.206049|1.932170|1.854859|1.993416|2.300778|4.295956|2.934226|3.949686|3.810707|2.627533|2.181134|1.988402|1.749281|1.763711|3.544183|2.667634|4.464083|2.542103|2.150907|1.997475|2.120520|2.486885|2.836871|6.177172|2.367624|2.935806|2.915433|0.212827|0.173016|0.210788|0.303853|0.500000| |6.856949|8.840025|17.530975|8.877972|9.780678|4.810458|7.242767|3.921794|0.118292|3.072298|2.777429|2.336700|2.157834|2.274954|2.678573|4.775122|3.346485|5.195762|4.939838|3.113998|2.521392|2.214189|1.954006|2.022307|4.170442|3.573826|5.693174|3.578497|2.867370|2.656576|2.921833|3.676284|4.384613|10.900938|3.019336|3.654864|3.687532|0.140183|0.168726|0.203662|0.173459|0.211487|0.500000| |6.863599|8.838185|17.521713|8.897302|9.697309|4.917627|7.570841|3.911149|0.118785|3.223754|2.944829|2.501445|2.313730|2.429085|2.833058|4.987351|3.587989|5.448116|4.544894|2.870032|2.387691|2.141375|1.893321|1.935197|3.926540|3.144252|4.903674|3.208742|2.636740|2.483190|2.741101|3.385619|3.868189|8.984537|2.858553|3.460934|3.523106|0.140194|0.203581|0.169260|0.211053|0.173490|0.303993|0.500000| |4.515159|6.796830|8.821661|17.597155|12.536494|7.221282|13.226820|4.616081|0.123233|3.787616|3.157660|2.680658|2.595933|2.896170|3.531803|6.726952|3.956720|5.381662|5.251547|3.533269|2.841002|2.585415|2.192065|2.172128|4.420794|3.305723|5.186448|3.066690|2.522486|2.276585|2.371208|2.790445|3.330544|7.279557|2.662819|3.323222|3.221238|0.107982|0.119506|0.110919|0.204847|0.168826|0.173623|0.213131|0.500000| |4.543513|6.902114|8.830394|17.514609|12.408290|6.781573|11.598120|4.567281|0.120818|3.512055|2.925653|2.461729|2.366089|2.629112|3.221515|6.198705|3.620133|5.085087|5.812532|3.985456|3.052718|2.702545|2.276239|2.283601|4.742742|3.768715|6.087428|3.342774|2.694538|2.385758|2.462018|2.915067|3.595360|8.065330|2.769155|3.467509|3.320886|0.108887|0.111478|0.119581|0.172872|0.208238|0.210186|0.173749|0.303585|0.500000| |3.799733|4.689099|7.405475|8.965079|25.700512|9.508753|10.906226|7.634948|0.252769|4.928990|4.208212|3.250509|2.904457|3.092332|3.884837|6.648826|4.299661|7.907579|8.482174|4.593071|3.492035|2.922637|2.513778|2.635720|5.671950|5.684061|7.951557|5.574863|3.993105|3.461114|3.689105|4.789533|6.814258|19.143076|3.757225|4.556517|4.421388|0.087985|0.102944|0.106368|0.116025|0.120840|0.220342|0.194703|0.180625|0.196001|0.500000| |1.740403|1.893468|2.207448|2.410613|3.935699|3.264725|5.337656|4.099748|0.116918|5.578269|8.951279|17.773829|8.889962|5.650377|4.950479|6.537001|13.096189|13.616163|4.766050|3.062987|3.214753|3.048298|3.007943|3.148387|5.832426|3.207660|4.885222|3.426858|3.465542|3.290020|3.078977|3.029665|3.159358|5.158984|4.185579|5.430245|4.972980|0.044286|0.049710|0.047737|0.052243|0.049960|0.060505|0.064696|0.066776|0.061740|0.081393|0.500000| |1.719761|1.946467|2.198134|2.575580|4.008572|3.644193|6.995326|4.010835|0.096672|5.609465|4.983401|5.638566|8.863879|17.715240|8.989963|13.774071|12.701299|6.552007|4.769356|3.616667|3.952041|4.399451|3.917086|3.446753|6.130174|2.872312|4.576962|2.644156|2.492739|2.223093|2.091838|2.166205|2.420413|4.279808|2.804811|3.746746|3.326794|0.044540|0.048008|0.046153|0.055344|0.052554|0.058150|0.061973|0.075102|0.068264|0.075916|0.123689|0.500000| |2.315813|2.792437|3.281170|4.360015|7.088654|7.993049|20.690517|7.016625|0.143346|7.538919|4.902846|4.152443|4.472470|6.182092|10.009937|35.106459|6.225850|6.904897|7.742830|6.155725|5.235875|5.053844|3.771832|3.465463|7.059288|4.029327|6.213874|3.382765|2.898021|2.473497|2.373196|2.601726|3.136041|5.933083|2.960453|3.867140|3.465638|0.058948|0.063091|0.061666|0.079152|0.076371|0.084820|0.088609|0.128598|0.117133|0.120860|0.093723|0.158187|0.500000| |1.516877|1.670196|1.870690|2.096039|3.231865|2.760192|4.999635|3.109301|0.080544|4.145844|4.458511|6.077682|10.061387|7.899252|5.021769|7.360526|35.772699|6.254872|3.777291|2.737456|3.014048|3.231828|3.200042|2.978895|5.115384|2.432783|3.911657|2.364040|2.326543|2.153927|2.025428|2.038825|2.184979|3.767414|2.801398|3.755118|3.375287|0.039413|0.042832|0.040975|0.047222|0.044767|0.050101|0.053601|0.060270|0.055158|0.063402|0.150759|0.231587|0.097336|0.500000| |2.208435|2.435195|3.024008|3.313148|6.008571|4.828851|6.856222|7.425782|0.272169|7.335422|9.849754|6.221499|4.481877|4.143116|4.834706|6.796857|6.294792|35.631082|8.548829|4.409492|4.112985|3.396098|3.164660|3.563572|7.627387|6.272916|8.191759|8.215737|7.254402|6.014176|5.512371|5.830883|6.919303|9.870022|6.215938|7.498536|6.778677|0.054666|0.062277|0.062043|0.064600|0.064306|0.086763|0.087510|0.085573|0.083919|0.137246|0.159670|0.093506|0.106598|0.086559|0.500000| |2.279258|2.726055|3.215524|4.192962|6.961020|7.141075|13.518377|7.301533|0.146712|5.977085|4.247793|3.486375|3.501292|4.273742|5.957203|12.909726|5.064585|6.541224|12.440925|17.687704|9.068565|6.954011|4.663378|4.462517|10.235366|5.823766|9.401896|4.149686|3.464694|2.797122|2.599082|2.839679|3.576459|6.657789|3.306675|4.385191|3.780817|0.057942|0.060664|0.062559|0.073908|0.077348|0.088157|0.083111|0.110767|0.122745|0.127541|0.082200|0.108898|0.234488|0.077964|0.109544|0.500000| |2.205547|2.575116|3.013718|3.687562|5.988542|5.202949|8.693764|5.722038|0.131062|4.505681|3.614713|2.996432|2.897608|3.283070|4.143850|7.910982|4.332063|6.017237|12.577469|17.657110|8.992588|5.987205|4.537976|4.796589|12.035574|7.623158|14.989453|4.754683|3.974779|3.092996|2.803645|3.031667|3.874516|6.995412|3.636360|4.872793|4.091957|0.056121|0.058133|0.062090|0.067855|0.074309|0.086727|0.076884|0.092749|0.110910|0.119800|0.073532|0.083889|0.133375|0.065994|0.105439|0.303483|0.500000| |1.735175|1.991801|2.231766|2.683665|4.137120|3.785265|7.361737|4.129343|0.094015|4.455485|3.593596|3.345933|3.698787|4.671560|5.385859|11.702647|5.615318|5.347647|6.225571|6.376702|8.844522|17.812188|8.432580|5.858113|10.479368|3.666722|6.359628|2.959094|2.758009|2.319471|2.108170|2.185064|2.548512|4.510278|2.910201|4.001337|3.361885|0.045139|0.046844|0.047480|0.055134|0.056151|0.060891|0.059570|0.074370|0.076686|0.078899|0.079615|0.131958|0.157619|0.090612|0.085374|0.194354|0.147704|0.500000| |1.436898|1.596829|1.771626|2.021241|3.097538|2.654762|4.819742|3.036757|0.074717|3.361659|3.103493|3.094440|3.369775|3.729687|3.726280|6.684513|5.513198|4.815361|4.595870|4.027680|5.835342|8.428877|17.790280|8.831646|10.459703|3.052657|5.475617|2.631468|2.653820|2.282475|2.012492|1.996565|2.231323|3.787910|3.010600|4.314731|3.473282|0.037570|0.039145|0.039754|0.043874|0.044718|0.049183|0.048053|0.055386|0.056893|0.061668|0.077594|0.104488|0.092185|0.088526|0.076596|0.105925|0.101638|0.192445|0.500000| |1.489680|1.635390|1.845555|2.061452|3.241916|2.702633|4.604658|3.287024|0.084247|3.472395|3.404255|3.255692|3.194687|3.258659|3.395363|5.649426|5.114874|5.646109|5.304371|4.261337|6.036584|5.817530|8.611190|17.833429|16.522481|3.895455|7.218058|3.414545|3.720358|3.089745|2.559522|2.448052|2.720752|4.398101|4.174466|6.360921|4.612888|0.038593|0.040652|0.041857|0.044106|0.045630|0.052498|0.050205|0.054914|0.057610|0.067139|0.084445|0.084280|0.081766|0.077342|0.093884|0.100858|0.110683|0.123105|0.195026|0.500000| 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