Version2.4 2021-06-07T14:02:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN(C)S(=O)(=O)c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3cccc(c3)[N+](=O)[O-])CCOCCO)[O-] C40110424 RHF 6-31G(d) (6D,7F) CN(C)S(=O)(=O)c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3cccc(c3)[N+](=O)[O-])CCOCCO)[O-] C01[X(C23H24N3O9S1)] 174 C1 592 OCCOCCN1C(=O)C(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1ccc(cc1)S(=O)(=O)N(C)C)[O-] OCCOCCN1C(=O)C(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1ccc(cc1)S(=O)(=O)N(C)C)[O-] CN(C)[S](=O)(=O)c1ccc(cc1)C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@H]2c3cccc(c3)[N+]([O-])=O InChIKey=XXXXNSWWDFLKAW-FQEVSTJZSA-M InChI=1S/C23H25N3O9S/c1-24(2)36(33,34)18-8-6-15(7-9-18)21(28)19-20(16-4-3-5-17(14-16)26(31)32)25(23(30)22(19)29)10-12-35-13-11-27/h3-9,14,20,27,29H,10-13H2,1-2H3/p-1/t20-/m0/s1 InChI=1/C23H25N3O9S/c1-24(2)36(33,34)18-8-6-15(7-9-18)21(28)19-20(16-4-3-5-17(14-16)26(31)32)25(23(30)22(19)29)10-12-35-13-11-27/h3-9,14,20,27,29H,10-13H2,1-2H3/p-1/t20-/m0/s1/fC23H24N3O9S/h29h/q-1 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3cccc(c3)[N+](=O)[O-])CCOCCO)[O-] C01[X(C23H24N3O9S1)] 174 C01 592 OCCOCCN1C(=O)C(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1ccc(cc1)S(=O)(=O)N(C)C)[O-] OCCOCCN1C(=O)[C]([C]([C](=O)[C]2[CH][CH][C]([CH][CH]2)S(=O)(=O)N(C)C)[C@@H]1[C]1[CH][CH][CH][C]([CH]1)[N]([O])[O])=O CN(C)[S](=O)(=O)[C]1[CH][CH][C]([CH][CH]1)C(=O)[C]2[C@H]([C]3[CH][CH][CH][C]([CH]3)N([O])[O])N(CCOCCO)C(=O)C2=O InChIKey=ARVYGPZLJSPKMS-FQEVSTJZSA-N InChI=1S/C23H24N3O9S/c1-24(2)36(33,34)18-8-6-15(7-9-18)21(28)19-20(16-4-3-5-17(14-16)26(31)32)25(23(30)22(19)29)10-12-35-13-11-27/h3-9,14,20,27H,10-13H2,1-2H3/t20-/m0/s1 InChI=1/C23H24N3O9S/c1-24(2)36(33,34)18-8-6-15(7-9-18)21(28)19-20(16-4-3-5-17(14-16)26(31)32)25(23(30)22(19)29)10-12-35-13-11-27/h3-9,14,20,27H,10-13H2,1-2H3/t20-/m0/s1 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7.1982 6.9133 6.7581 4.1070 3.8660 7.4624 4.2666 5.8845 3.7684 4.1283 5.2251 5.9389 5.1374 2.4514 4.6994 1.9515 4.1317 1.3754 1.7993 2.5261 2.2001 3.5179 2.3185 1.5486 2.7423 1.3919 6.2260 1.3897 3.4723 1.4870 2.7072 1.3697 3.5379 1.5029 3.1873 3.2924 1.7346 2.0001 2.1365 2.3770 2.4694 1.2183 2.2332 1.8580 6.5038 1.4361 2.3962 4.7423 4.4392 1.2535 3.5261 2.2433 1.9998 3.8984 1.5666 3.2043 2.1684 1.1869 1.2333 2.0852 1.3935 1.3310 11.3974 1.3461 1.5407 1.5114 1.3717 1.6615 2.3650 1.7511 1.5337 1.1700 2.9037 2.5351 1.5648 1.1710 1.2436 6.1118 1.0467 1.0483 1.0576 1.1179 2.3782 1.1096 1.0527 2.2183 1.1015 6.4592 5.6734 6.2982 5.7009 10.8132 10.8589 12.7401 11.6619 1.0684 1.0837 1.0594 1.0470 1.0886 1.0498 1.0709 1.0845 1.1010 1.0956 1.0925 1.0938 1.0938 1.0987 1.0997 1.0904 1.0900 1.0894 1.0944 1.0945 1.0958 1.0922 1.0943 1.0661 0.0006 0.0008 0.0014 0.0015 0.0040 0.0075 0.0133 0.0072 0.0094 0.0111 0.0093 0.0192 0.0213 0.0254 0.0316 0.0742 0.0628 0.0982 0.0798 0.0887 0.1159 0.0933 0.0306 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0.5667 0.8571 0.5265 0.6438 0.5742 0.8492 0.7977 0.6446 0.6412 0.8548 0.2883 0.3018 0.2509 0.3987 0.3999 0.4472 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 7 6 16 8 8 6 6 6 6 6 6 6 8 6 6 6 8 7 6 1 6 6 6 6 6 6 7 8 8 6 6 8 6 6 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 14.00307 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 12.00000 12.00000 15.99491 12.00000 12.00000 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 11067.3970 28996.2879 35615.9583 0.99986 -0.01640 0.00191 0.01637 0.99976 0.01460 -0.00215 -0.01456 0.99989 1 0.00783 0.00299 0.00243 0.16307 0.06224 0.05067 17.47 18.45 25.10 30.62 48.78 63.77 67.88 70.23 85.10 89.70 97.49 108.91 131.23 136.44 148.40 153.69 189.64 209.90 233.97 249.17 281.98 302.54 312.06 318.80 329.27 335.88 361.18 374.77 391.95 434.06 443.11 456.74 483.47 493.64 503.53 516.43 543.38 575.97 588.77 605.99 632.48 641.92 652.68 660.00 689.94 708.91 787.80 798.27 811.30 820.32 834.52 838.07 856.08 890.68 910.60 961.97 990.98 995.96 1061.61 1075.22 1093.92 1140.17 1152.62 1162.35 1220.77 1249.48 1257.29 1262.76 1302.07 1319.28 1328.48 1329.84 1384.26 1399.59 1415.76 1440.00 1468.79 1471.81 1504.89 1522.12 1551.13 1569.61 1584.85 1596.90 1604.21 1613.88 1619.10 1668.28 1685.78 1712.46 1717.38 1723.18 1729.44 1730.13 1760.16 1761.78 1774.48 1793.73 1805.48 1817.19 1856.40 1857.20 1864.61 1875.07 1877.33 1895.58 1912.27 1922.55 1942.13 1943.86 1957.24 1983.97 2010.71 2040.09 2050.32 2067.49 2082.13 2103.46 2110.78 2149.86 2186.45 2191.00 2214.81 2226.82 2244.76 2275.53 2287.59 2294.41 2307.53 2319.88 2329.90 2352.53 2353.78 2362.15 2374.06 2381.64 2382.50 2384.68 2390.92 2398.00 2400.25 2424.39 2523.49 2558.69 2579.68 2589.76 2605.19 2674.02 2808.96 2830.72 4541.52 4546.00 4562.88 4591.43 4596.41 4600.75 4611.50 4625.42 4697.59 4704.96 4711.64 4712.84 4740.16 4824.86 4825.76 4856.86 4868.07 4881.79 4897.19 4901.59 4905.81 4926.87 4946.44 5886.62 0.497849 0.530243 0.531188 0.428050 -2118.897206 -2118.864811 -2118.863867 -2118.967005 3.459265D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CN(C)S(=O)(=O)c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3cccc(c3)[N+](=O)[O-])CCOCCO)[O-] C40110424 RHF 6-31G(d) (6D,10F) C1 518.123326 |X|Y|Z| 120.924635 69.008314 37.650960 67.982545 18 6 7 17 1 |36.858105| |13.083223|53.358707| |7.778722|17.805500|36.858105| |7.181441|15.703825|7.177569|388.023441| |5.007778|10.508941|6.582225|94.655172|73.516695| |6.581608|10.509823|5.007162|94.652771|13.605671|73.516695| |5.725046|9.446757|5.715577|76.640856|13.039787|13.041147|36.858105| |4.432426|7.371483|5.364698|49.475767|11.420010|8.803308|13.694305|36.858105| |3.644359|5.527070|4.105539|33.704881|7.807727|6.804393|7.959869|13.803298|36.858105| |3.526609|4.978197|3.521093|29.813044|6.525239|6.526827|6.856018|7.900045|13.682500|36.858105| |4.077771|5.495862|3.615875|33.687982|6.812503|7.820573|7.960377|6.872401|7.953638|13.717915|36.858105| |5.328689|7.332738|4.402506|49.551452|8.829000|11.468755|13.745276|7.902055|6.870171|7.894623|13.747405|36.858105| |2.840735|3.914914|2.842624|22.350489|5.074016|5.064679|4.430514|5.022012|7.578830|12.481633|7.470893|4.985217|36.858105| |2.730123|3.760088|2.828081|20.627502|4.759305|4.603844|3.913528|4.565347|6.640950|8.247964|5.560756|4.163961|15.703609|73.516695| |2.474884|3.374715|2.403108|19.478445|4.452665|4.595208|3.660617|3.913540|5.199110|7.492307|6.048471|4.233709|13.374947|14.365823|36.858105| |2.149480|2.895981|2.081778|16.288142|3.763323|3.888702|2.900916|3.065396|3.842762|4.930377|4.307495|3.283697|7.583026|11.424622|13.441969|36.858105| |1.955944|2.633224|1.866249|14.983041|3.478331|3.663546|2.593551|2.668917|3.184977|3.935004|3.698103|2.946660|5.094939|7.665382|8.098113|12.386462|36.858105| |1.765675|2.364118|1.679228|13.296037|3.102261|3.276395|2.239675|2.287183|2.658284|3.169943|3.041863|2.516083|3.919286|6.241692|5.420334|7.738805|15.861727|73.516695| |2.051273|2.789360|1.950185|16.296128|3.782238|4.019642|2.848743|2.902199|3.434314|4.270936|4.104122|3.267953|5.125631|7.256414|8.172910|8.155170|14.052942|14.930823|53.358707| |2.392420|3.287445|2.284424|19.649195|4.506894|4.773183|3.629760|3.729781|4.605493|6.193913|5.766708|4.260796|7.277225|9.063363|12.533371|7.905939|8.092574|9.676663|17.742379|36.858105| |2.592159|3.515855|2.382974|21.288128|4.757207|5.307237|3.952705|3.833934|4.513866|6.213305|6.763036|4.939368|6.295080|8.031848|8.676780|6.059881|6.309937|8.338669|12.501268|17.491735|0.500000| |2.317043|3.290711|2.301440|20.259225|4.814088|4.854932|3.708527|3.960958|4.811543|5.674722|5.014829|4.056014|5.880255|7.893570|7.397460|5.350062|5.428048|7.373367|10.543971|12.452901|0.250175|36.858105| |2.094510|3.006682|2.159292|18.133836|4.443722|4.261066|3.221621|3.607888|4.426497|4.767976|3.977765|3.340362|5.275236|7.728443|6.199766|5.014170|4.919867|6.957470|8.318140|7.492263|0.155834|13.659491|36.858105| |1.976072|2.886699|2.086697|17.543874|4.440956|4.106433|3.004423|3.395953|3.935962|3.907957|3.351794|2.988166|4.021990|6.253320|4.326623|3.691622|3.663013|5.525305|5.916855|4.985348|0.116715|7.872961|13.786813|36.858105| |2.027415|2.997057|2.134365|18.714271|4.810230|4.430492|3.132994|3.456641|3.765193|3.661233|3.295780|3.070385|3.504589|5.425560|3.679842|3.113922|3.141615|4.825731|5.157623|4.391012|0.110936|6.782236|7.925579|13.730302|36.858105| |2.227435|3.278973|2.272423|21.088784|5.293888|5.110100|3.580938|3.773485|4.009474|4.042749|3.827245|3.603824|3.681152|5.499712|3.907933|3.201393|3.274789|4.972754|5.607328|5.003272|0.134258|7.950749|6.968098|8.036848|13.817749|36.858105| |2.404225|3.461798|2.368837|22.165047|5.303250|5.426598|3.971112|4.071557|4.528486|5.016243|4.857134|4.285038|4.561594|6.416407|5.112626|3.946290|4.072681|5.930236|7.493086|7.519545|0.207057|13.785711|7.987033|6.878041|7.861950|13.715726|36.858105| |2.210044|3.279551|2.236044|21.482839|5.488987|5.362979|3.423345|3.452136|3.424177|3.383560|3.372841|3.385093|3.002750|4.605682|3.111371|2.625404|2.697003|4.218767|4.472497|3.822416|0.108650|5.119431|4.546150|5.143585|7.804357|13.078793|7.770517|53.358707| |2.043089|3.061333|2.117904|19.748453|5.222691|4.876042|3.029125|3.110660|3.043457|2.919543|2.864100|2.908786|2.628570|4.143575|2.681905|2.316871|2.363214|3.757944|3.799837|3.155033|0.088003|4.078879|3.911376|4.678340|7.089305|8.366765|5.412528|21.674720|73.516695| |2.323675|3.407050|2.265583|22.596432|5.604781|5.893776|3.535537|3.377351|3.279225|3.331672|3.500634|3.606291|2.908886|4.434345|3.027108|2.557814|2.651102|4.167784|4.411705|3.759354|0.112577|4.673724|3.917660|4.102215|5.431927|8.369226|7.065372|21.706879|16.035759|73.516695| |1.894605|2.572303|1.780714|15.092786|3.520722|3.807914|2.546542|2.535692|2.865866|3.409628|3.437434|2.901215|3.765779|5.576568|5.120925|5.118349|7.795767|12.033169|17.955284|7.480489|0.193617|6.039066|4.889186|3.869890|3.582280|3.985460|5.115340|4.520775|5.009236|5.961684|36.858105| |1.659560|2.269940|1.590406|13.200082|3.139119|3.310635|2.174667|2.200252|2.463170|2.806047|2.755101|2.396714|3.109838|4.816059|3.999618|4.211268|6.098573|10.927830|10.418309|5.117034|0.127854|4.799608|4.457328|3.748670|3.418590|3.580799|4.170934|4.121036|4.731186|5.286238|12.538213|36.858105| |1.642589|2.281335|1.610045|13.383018|3.235202|3.318515|2.205445|2.274835|2.552749|2.829883|2.702765|2.373851|3.108357|4.838142|3.888014|3.930186|5.124616|8.597158|8.780168|4.949097|0.119101|5.342804|5.425929|4.722050|4.189308|4.176024|4.619590|4.634772|5.370756|5.698025|7.960012|13.606567|73.516695| |1.472859|2.049406|1.458221|11.893966|2.906740|2.942336|1.921891|1.992553|2.209559|2.389112|2.272440|2.034223|2.613624|4.203709|3.131169|3.241811|4.008488|7.134406|6.139306|3.685855|0.090870|3.974350|4.278637|4.040264|3.612293|3.439677|3.571416|3.981964|4.807114|4.858472|5.183842|8.109005|24.284801|36.858105| |1.453913|2.048667|1.468979|11.939822|2.965098|2.923687|1.919770|2.021988|2.233378|2.347279|2.194523|1.988539|2.532833|4.119691|2.927275|2.940576|3.385908|5.815272|5.155398|3.367359|0.082791|3.883937|4.501201|4.686068|4.138636|3.664410|3.560590|4.213483|5.242954|4.952830|4.030665|5.223231|14.412709|12.580571|36.858105| |1.496545|2.125107|1.514037|12.556703|3.142001|3.090229|2.003312|2.098829|2.279110|2.366296|2.236232|2.060025|2.469394|3.974608|2.800880|2.705126|3.053781|5.127772|4.823445|3.308112|0.083435|4.005821|4.505073|5.057764|4.911529|4.312927|3.938554|5.048742|6.369135|5.794185|3.844601|4.633532|12.164818|7.897369|13.631644|73.516695| |2.033993|2.724888|1.987644|14.974210|3.478479|3.555386|2.610707|2.775564|3.427979|4.186062|3.663640|2.895412|6.201555|11.083212|7.886988|15.799348|7.975124|11.731276|7.495107|5.286398|0.123103|4.066526|4.019600|3.151808|2.680300|2.701965|3.186503|3.092469|3.635811|3.931580|3.986215|3.508287|5.867965|2.863440|2.630735|4.263642|73.516695| |17.589324|12.564135|7.191838|38.254915|7.519797|8.944620|4.387244|3.668415|3.114527|3.003678|3.357890|4.108385|2.511763|4.373322|2.207864|1.954758|1.783903|2.892257|2.520409|2.122457|0.063162|2.056465|1.885606|1.789786|1.828395|1.982911|2.117932|2.683295|3.277831|3.662190|1.718770|1.522220|2.677587|1.362384|1.346453|2.455904|3.330087|0.500000| |17.507733|12.211555|6.869325|43.941353|7.879414|9.826034|6.055186|4.750844|4.059312|4.045798|4.750395|6.041881|3.233895|5.551234|2.760124|2.383287|2.132382|3.400981|3.017660|2.607664|0.078541|2.471527|2.223291|2.063084|2.085680|2.287225|2.514493|3.025323|3.620247|4.131318|2.017387|1.752022|3.065934|1.538376|1.510647|2.743730|4.019550|0.300171|0.500000| |17.672431|12.438992|5.657447|49.055571|8.391872|13.893615|5.362448|4.013672|3.355245|3.344504|4.010561|5.354415|2.710107|4.542123|2.422165|2.107644|1.950267|3.139212|2.809314|2.394971|0.073270|2.313017|2.064069|1.947087|2.017201|2.247466|2.436410|3.077885|3.694121|4.305608|1.932008|1.684282|2.947137|1.482452|1.455997|2.676314|3.516383|0.301638|0.298868|0.500000| |7.187640|12.564302|17.589003|38.250866|8.946201|7.522207|4.382351|4.131307|3.379090|2.999441|3.090791|3.645611|2.512269|4.494499|2.157188|1.904218|1.716389|2.773102|2.419870|2.047445|0.059213|2.045560|1.931000|1.868416|1.903556|2.013602|2.094091|2.707798|3.372278|3.591633|1.634215|1.469468|2.633645|1.350958|1.357999|2.479577|3.266131|0.221622|0.172014|0.146770|0.500000| |5.657413|12.438772|17.672781|49.042935|13.898743|8.393719|5.353809|5.376525|4.027809|3.338617|3.336912|3.996979|2.714286|4.793314|2.311993|2.003197|1.806684|2.891703|2.584135|2.220226|0.063751|2.287863|2.173510|2.138144|2.207261|2.328621|2.375938|3.144242|3.943312|4.114581|1.740518|1.567457|2.849212|1.457805|1.482383|2.731500|3.391585|0.146766|0.140580|0.127345|0.301638|0.500000| |6.873168|12.210345|17.509237|43.894458|9.825422|7.872922|6.038256|6.104106|4.798524|4.034936|4.013202|4.703785|3.235899|5.838947|2.653015|2.284268|2.008346|3.192547|2.832146|2.458118|0.070611|2.450155|2.307392|2.200972|2.212623|2.339346|2.469807|3.063236|3.762269|4.018152|1.870798|1.664534|2.993002|1.519993|1.528652|2.780092|3.897586|0.172308|0.199296|0.140589|0.300167|0.298874|0.500000| |4.119864|7.270842|5.751979|47.218163|13.085958|8.137860|8.905262|17.747907|8.914226|5.626167|4.954398|5.635541|4.097368|6.935900|3.308251|2.689830|2.372164|3.670322|3.481809|3.174508|0.089174|3.449547|3.276797|3.215320|3.311137|3.497942|3.577463|4.464447|5.443887|5.605586|2.270961|2.014755|3.741143|1.872911|1.926243|3.570148|4.405551|0.097936|0.117413|0.102447|0.121238|0.176480|0.176007|0.500000| |3.131251|4.749648|3.686192|27.827715|6.823187|5.709216|5.652968|8.932071|17.745653|8.944763|5.663241|4.953036|7.111386|12.506087|4.940497|3.802227|3.109837|4.647350|4.468700|4.244527|0.110103|4.563906|4.576000|4.151735|3.813580|3.822917|4.140564|4.378834|5.214222|5.328741|2.727376|2.405207|4.502205|2.222729|2.281237|4.100851|6.176216|0.076700|0.095466|0.079869|0.086327|0.103046|0.119614|0.214417|0.500000| |3.653036|4.719865|3.102693|27.849294|5.722413|6.852220|5.659969|4.953023|5.654059|8.927917|17.733599|8.936440|6.923178|9.170218|6.447509|4.716445|4.132719|6.014058|6.217376|6.275604|0.223170|4.875706|3.792458|3.137727|3.056739|3.553011|4.608756|4.278441|4.736037|5.893218|3.812550|2.955834|4.992388|2.338291|2.207736|3.961626|7.004176|0.085555|0.117895|0.102484|0.075969|0.079377|0.094203|0.107570|0.124497|0.500000| |5.672518|7.210129|4.084957|47.282224|8.165649|13.184313|8.920936|5.633075|4.952992|5.624900|8.895289|17.748547|4.064163|6.181230|3.662614|2.962259|2.740833|4.238923|4.131594|3.790770|0.125126|3.558647|2.937117|2.656896|2.762035|3.261982|3.835288|4.320707|4.869248|6.213275|2.783019|2.299507|3.993821|1.934178|1.874767|3.462500|4.683305|0.119919|0.172530|0.174433|0.097121|0.101942|0.116098|0.124100|0.107566|0.214876|0.500000| |2.003061|2.846275|2.069175|16.736859|4.082532|3.917726|2.953864|3.324687|4.161779|4.548190|3.718791|3.076579|5.572633|8.497777|6.787148|5.945455|5.573734|7.793036|8.535263|7.009471|0.141282|8.944285|17.742311|8.934020|5.643598|5.003187|5.680293|4.925704|5.716893|5.726095|4.721207|4.434381|9.346615|4.290346|4.430836|7.322324|8.513694|0.050488|0.059545|0.054467|0.051804|0.057509|0.061997|0.084272|0.123329|0.100208|0.075434|0.500000| |1.826980|2.669773|1.957731|15.921800|4.075837|3.707765|2.667978|3.039179|3.493270|3.396119|2.906816|2.620672|3.572710|5.812708|3.766378|3.369633|3.310993|5.132942|5.076762|4.074359|0.096474|5.618878|8.928816|17.725980|8.932857|5.691371|4.955327|5.673842|7.155065|6.054502|3.349656|3.375704|7.553272|3.893893|4.767817|8.812392|5.298170|0.046423|0.052878|0.049727|0.049075|0.055981|0.057403|0.081812|0.105628|0.075902|0.065194|0.215340|0.500000| |1.903485|2.833974|2.031267|17.588123|4.625646|4.165596|2.837973|3.121816|3.289852|3.121710|2.848236|2.726885|2.974961|4.740814|3.062963|2.665119|2.685909|4.226218|4.275654|3.521856|0.090977|4.910467|5.631760|8.852221|17.790286|8.939288|5.621232|9.798537|14.170918|8.844050|3.034638|2.972977|6.410877|3.272734|3.861421|8.373791|4.178903|0.048067|0.053841|0.052584|0.050615|0.058978|0.057936|0.085615|0.093524|0.073446|0.069019|0.123865|0.213498|0.500000| |2.564846|3.646347|2.430703|23.694465|5.499091|6.020089|4.216882|4.039876|4.301957|4.916383|5.276013|4.791247|4.280763|6.023300|4.748843|3.704270|3.862449|5.707015|7.047072|6.937467|0.228235|8.900869|5.655526|4.959711|5.634610|8.943398|17.775680|9.814554|8.849421|14.190135|5.053250|3.945478|7.288277|3.211860|3.108802|6.071856|5.359518|0.062184|0.074291|0.073528|0.059717|0.067010|0.069745|0.097041|0.105110|0.142998|0.123211|0.124390|0.107650|0.124362|0.500000| |1.976987|2.703914|1.852053|16.174800|3.774600|4.123376|2.724890|2.679883|2.975796|3.504631|3.612165|3.109895|3.665155|5.365348|4.748659|4.368773|5.757628|8.788507|12.598418|7.373215|0.210058|6.717372|5.044652|4.113650|4.009567|4.735543|6.331390|5.385313|5.773667|7.253240|17.599766|8.941308|13.001280|4.832308|3.969505|7.184040|6.150731|0.049498|0.058004|0.056421|0.046968|0.050485|0.053640|0.066535|0.077560|0.109754|0.083333|0.126087|0.096034|0.093226|0.181083|0.500000| |1.869154|2.501586|1.722625|14.504266|3.349573|3.703141|2.415807|2.363766|2.635155|3.148095|3.273256|2.788813|3.447567|5.192862|4.547612|4.708707|7.034117|12.101403|12.449576|6.008755|0.170569|4.697381|3.883899|3.185945|3.006539|3.349269|4.186506|3.967674|4.451602|5.357466|17.516480|8.987978|10.243258|4.274304|3.369246|5.724770|6.767079|0.047272|0.055391|0.053275|0.044204|0.046439|0.050161|0.058811|0.069135|0.103691|0.075860|0.106025|0.078301|0.072479|0.120499|0.301686|0.500000| |1.578736|2.153589|1.501408|12.508807|2.977550|3.173518|2.023333|2.022061|2.218749|2.497206|2.501291|2.225460|2.693248|4.218201|3.331865|3.453933|4.682212|8.650849|7.626941|4.166106|0.110169|3.986121|3.675831|3.246664|3.084115|3.271122|3.703895|3.927925|4.549449|5.130164|8.932980|17.460834|16.562297|7.183584|4.731071|7.806184|5.273874|0.040361|0.045987|0.044796|0.038705|0.041126|0.043328|0.051754|0.059863|0.074570|0.060206|0.099596|0.082017|0.076269|0.100474|0.214417|0.222511|0.500000| |1.590226|2.164479|1.528195|12.413705|2.951546|3.094902|2.040602|2.077450|2.341017|2.666004|2.589450|2.241999|3.035575|4.802914|3.908208|4.411515|6.659926|13.693141|9.506137|4.616120|0.113616|4.164923|4.031326|3.385525|3.018501|3.084100|3.540179|3.578141|4.179211|4.573843|8.888509|17.607470|16.553038|7.356831|4.807214|7.167066|6.728208|0.040744|0.046835|0.044604|0.039408|0.041727|0.044627|0.053009|0.064132|0.077395|0.059657|0.117594|0.087243|0.073919|0.093034|0.174800|0.213385|0.300287|0.500000| |1.406198|1.950895|1.381576|11.309316|2.762694|2.824849|1.802460|1.846570|2.016060|2.172977|2.104341|1.910118|2.334007|3.766021|2.752674|2.831206|3.473426|6.299475|5.304474|3.239292|0.082712|3.443147|3.560889|3.433262|3.222319|3.146045|3.234821|3.787638|4.605772|4.701658|4.701645|7.190838|16.546453|17.482151|8.880440|12.619704|4.494039|0.036223|0.040603|0.039524|0.035687|0.038354|0.039765|0.048361|0.055881|0.060393|0.051029|0.097220|0.091559|0.082836|0.083146|0.125391|0.113030|0.212981|0.177431|0.500000| |1.423352|1.970631|1.410056|11.307590|2.756233|2.786564|1.827366|1.900691|2.121341|2.301311|2.175885|1.936219|2.570240|4.198383|3.086935|3.330789|4.150708|7.743814|5.924121|3.482132|0.085195|3.591537|3.905376|3.604900|3.154015|2.993417|3.149986|3.485495|4.232291|4.285127|4.773188|7.305494|16.514091|17.486999|8.870195|10.128013|5.349784|0.036720|0.041465|0.039650|0.036427|0.039035|0.040996|0.049653|0.059671|0.062493|0.051108|0.114423|0.098830|0.079842|0.079495|0.117399|0.113536|0.175287|0.223022|0.299884|0.500000| 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