Version2.4 2021-06-06T20:24:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 28-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1)NC(=O)[C@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c3cc(c(c(c3)[N+](=O)[O-])C)C C08684409 RHF 6-31G(d) (6D,7F) Cc1cccc(c1)NC(=O)[C@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c3cc(c(c(c3)[N+](=O)[O-])C)C C01[X(C25H24N3O7S1)] 174 C1 592 Cc1cccc(c1)NC(=O)[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(c(c1)[N+](=O)[O-])C)C Cc1cccc(c1)NC(=O)[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(c(c1)[N+](=O)[O-])C)C C[C@H](OC(=O)c1ccccc1[N-][S](=O)(=O)c2cc(C)c(C)c(c2)[N+]([O-])=O)C(=O)Nc3cccc(C)c3 InChIKey=PLEFZCUNHGCDEV-SFHVURJKSA-M InChI=1S/C25H25N3O7S/c1-15-8-7-9-19(12-15)26-24(29)18(4)35-25(30)21-10-5-6-11-22(21)27-36(33,34)20-13-16(2)17(3)23(14-20)28(31)32/h5-14,18H,1-4H3,(H2,26,27,29,30)/p-1/t18-/m0/s1 InChI=1/C25H25N3O7S/c1-15-8-7-9-19(12-15)26-24(29)18(4)35-25(30)21-10-5-6-11-22(21)27-36(33,34)20-13-16(2)17(3)23(14-20)28(31)32/h5-14,18H,1-4H3,(H2,26,27,29,30)/p-1/t18-/m0/s1/fC25H24N3O7S/h26H/q-1 Cc1cccc(c1)NC(=O)[C@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c3cc(c(c(c3)[N+](=O)[O-])C)C C01[X(C25H24N3O7S1)] 174 C01 592 Cc1cccc(c1)NC(=O)[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(c(c1)[N+](=O)[O-])C)C C[C]1[CH][CH][CH][C]([CH]1)NC(=O)[C@@H](OC(=O)[C]1[CH][CH][CH][CH][C]1[N][S]([O])([O])[C]1[CH][C]([C]([C]([CH]1)[N]([O])[O])C)C)C C[C]1[CH][CH][CH][C]([CH]1)NC(=O)[C@H](C)OC(=O)[C]2[CH][CH][CH][CH][C]2[N][S]([O])([O])[C]3[CH][C](C)[C](C)[C]([CH]3)N([O])[O] InChIKey=FVXCBCGDNURFFQ-SFHVURJKSA-N InChI=1S/C25H24N3O7S/c1-15-8-7-9-19(12-15)26-24(29)18(4)35-25(30)21-10-5-6-11-22(21)27-36(33,34)20-13-16(2)17(3)23(14-20)28(31)32/h5-14,18H,1-4H3,(H,26,29)/t18-/m0/s1 InChI=1/C25H24N3O7S/c1-15-8-7-9-19(12-15)26-24(29)18(4)35-25(30)21-10-5-6-11-22(21)27-36(33,34)20-13-16(2)17(3)23(14-20)28(31)32/h5-14,18H,1-4H3,(H,26,29)/t18-/m0/s1/f/h26H 4199.5307100079 -2045.4803879 1-A 18032.1834 134 458 592 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.05934 -20.52105 -20.51932 -20.51830 -20.45531 -20.45505 -20.40126 -20.39849 -15.77022 -15.51039 -15.39772 -11.29000 -11.27412 -11.22246 -11.20934 -11.19817 -11.19138 -11.18255 -11.16927 -11.16914 -11.16254 -11.15895 -11.15760 -11.15662 -11.15253 -11.15168 -11.14636 -11.14136 -11.14106 -11.13916 -11.13856 -11.13816 -11.13681 -11.12423 -11.11574 -11.10926 -9.02997 -6.71608 -6.71599 -6.71548 -1.54986 -1.38496 -1.33176 -1.32018 -1.31987 -1.27332 -1.18790 -1.17277 -1.11202 -1.10142 -1.06611 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5.3410 5.1996 6.7512 4.6958 1.4484 4.1701 2.1549 4.6462 2.5590 5.7326 1.5489 5.2917 8.0204 3.9513 1.3929 7.7534 3.9513 6.0342 1.8350 2.8981 5.5805 3.2920 1.2872 4.8900 1.5492 2.6854 1.4907 9.4673 1.3402 1.3278 5.8756 1.3247 1.5942 1.3152 1.7463 3.1580 2.3756 1.4734 1.8822 1.5382 2.4632 1.5795 1.7716 6.0422 2.2642 2.7210 2.3066 3.1626 2.2993 1.8703 2.9816 1.5192 1.6155 2.5525 1.6852 5.1840 2.8979 10.8134 2.0249 1.7650 2.7588 2.9719 1.3060 3.2043 1.4306 1.5467 2.7049 1.3483 1.2959 1.3621 1.2156 2.3611 2.3271 1.5361 1.2337 1.0535 1.0784 1.0638 1.1851 1.8931 1.5375 2.0795 1.6050 1.1890 2.2633 5.0273 2.4332 6.3822 6.3528 4.9075 3.4802 4.2014 10.7026 12.5220 7.8135 1.0421 1.0388 1.0382 1.0444 1.0995 1.1005 1.0874 1.1029 1.0988 1.1006 1.0966 1.1028 1.1016 1.0881 1.0879 1.0928 1.0957 1.0921 1.0947 1.0938 1.0933 1.0931 1.0935 1.0799 0.0004 0.0011 0.0013 0.0016 0.0031 0.0035 0.0133 0.0180 0.0135 0.0184 0.0055 0.0121 0.0214 0.0219 0.0574 0.0871 0.0633 0.0527 0.0249 0.0741 0.0816 0.0361 0.1331 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11.3189 0.5403 16.2080 212.2340 4.2586 2.9693 3.1535 7.2560 7.3031 43.3018 159.4797 179.4530 32.1809 9.1580 41.4676 163.3700 83.2495 394.2466 7.6711 211.0821 89.3076 28.0197 267.2258 361.0540 540.1079 368.1960 37.9646 28.7470 30.4787 25.5387 35.2025 31.6121 5.8468 20.1385 17.0349 28.7074 30.2230 28.1300 17.0652 24.7841 14.7897 6.1748 56.9613 43.4036 35.0037 3.9486 6.1415 8.8454 0.6511 215.6965 2.4179 1.8417 2.1748 3.9482 0.9918 3.2762 0.5195 2.6009 2.8658 0.9611 1.3494 4.2104 2.6983 2.1988 1.5159 1.0918 0.6385 0.7431 1.3980 1.7873 0.9097 0.0644 1.6723 3.5970 2.0513 0.7604 1.8533 1.6915 2.3501 2.3681 1.7204 2.6245 3.3374 0.8691 1.1669 0.9205 2.1433 2.8294 0.7234 1.1437 1.6827 0.7682 2.4169 0.4827 2.3065 0.4203 2.2931 0.6881 5.3197 2.8341 2.4599 5.3907 0.6734 1.5661 1.7927 1.3156 4.4527 5.2515 6.6498 1.1482 2.0307 1.3053 6.1489 1.0008 9.6266 2.7278 25.3460 5.6012 3.1111 1.0780 1.7150 1.6867 4.7086 1.7222 18.0095 3.4795 1.9947 1.6596 3.3950 1.4442 8.7346 0.8159 5.1399 0.7437 1.8065 33.1527 0.5264 2.8976 0.7151 6.9173 33.5492 7.3682 2.2459 0.9227 1.2370 4.1863 1.0365 2.4138 3.0877 21.2274 7.3352 3.3709 18.7589 12.3058 6.3286 7.4035 3.5786 2.4976 0.3803 0.8836 18.4195 4.9430 7.4667 24.5645 22.9558 31.6313 14.8005 0.9268 43.6687 9.3198 8.0056 2.4569 8.9976 9.1557 0.5278 14.3451 4.5705 12.3973 11.1214 11.5772 17.6085 7.7389 15.3636 25.1373 37.9692 11.3245 51.5707 17.4212 19.7934 1.6945 28.5410 17.9215 22.5271 17.4105 60.3800 50.0634 24.4856 6.8934 49.4346 7.7085 126.8438 121.3742 111.6114 140.7528 77.5357 76.1549 61.5137 43.1078 62.1729 70.6856 44.8308 53.6633 72.0985 103.1978 67.4995 55.5828 192.5771 201.9264 124.7389 79.6129 56.9273 33.5781 52.8187 86.5816 0.7319 0.6895 0.7463 0.7500 0.7446 0.7474 0.7484 0.7320 0.7368 0.5385 0.6931 0.6270 0.7075 0.7469 0.7076 0.4773 0.5458 0.6588 0.7429 0.3999 0.2438 0.7479 0.2067 0.7299 0.7446 0.6652 0.5398 0.7497 0.3935 0.6401 0.7057 0.1343 0.4989 0.2048 0.4243 0.6586 0.7439 0.1635 0.7451 0.4541 0.4479 0.6268 0.1850 0.7421 0.4794 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0.8533 0.7707 0.8529 0.7613 0.7790 0.7979 0.7283 0.8565 0.5000 0.3744 0.4793 0.2958 0.2848 0.4058 0.3829 0.3689 0.3069 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 6 6 6 7 6 8 6 1 6 8 6 8 6 6 6 6 6 6 7 16 8 8 6 6 6 6 6 6 7 8 8 6 6 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 12.00000 15.99491 12.00000 1.00783 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 12.00000 12.00000 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 14922.3865 20748.5872 29753.6519 0.99962 0.02737 0.00297 -0.02737 0.99962 0.00247 -0.00290 -0.00255 0.99999 1 0.00580 0.00417 0.00291 0.12094 0.08698 0.06066 15.01 23.70 28.74 30.37 43.98 54.36 77.32 85.56 92.24 97.69 120.48 125.79 136.87 153.72 178.97 201.34 202.07 225.66 232.00 261.48 295.48 301.20 313.72 322.76 328.73 365.73 372.07 377.34 394.02 410.95 419.53 442.11 452.75 521.77 556.64 571.09 581.66 605.41 618.80 641.00 648.54 658.91 699.37 718.07 730.49 781.86 803.68 807.35 811.03 848.35 866.86 885.36 908.12 926.43 933.97 982.91 1006.63 1011.03 1066.68 1097.15 1111.85 1117.48 1140.14 1145.32 1160.94 1198.24 1211.44 1241.25 1253.67 1272.92 1284.23 1288.49 1350.56 1365.50 1404.67 1418.40 1428.41 1443.87 1458.99 1477.35 1509.02 1514.85 1530.10 1546.85 1547.55 1562.57 1587.81 1588.24 1588.74 1592.61 1625.93 1656.47 1665.44 1675.63 1687.62 1698.01 1703.15 1732.11 1737.93 1770.34 1773.88 1783.81 1799.11 1813.52 1836.15 1844.75 1873.14 1886.56 1890.81 1903.80 1942.56 1952.69 1956.55 2010.24 2012.87 2043.93 2064.68 2117.19 2129.09 2159.59 2205.14 2230.00 2254.67 2256.98 2260.25 2267.63 2276.82 2310.56 2323.73 2341.99 2346.72 2353.99 2354.72 2358.00 2362.02 2365.64 2369.82 2381.63 2387.50 2406.48 2484.80 2528.06 2533.16 2583.95 2590.03 2593.93 2615.65 2654.22 2780.17 2814.93 4602.44 4610.23 4642.89 4647.98 4677.09 4689.10 4725.49 4726.22 4739.34 4743.60 4744.82 4772.44 4790.29 4803.80 4808.42 4827.21 4839.95 4840.96 4880.88 4908.92 4917.70 4955.53 4968.54 5498.34 0.496426 0.528304 0.529248 0.428218 -2044.983962 -2044.952084 -2044.951140 -2045.052170 3.388563D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE Cc1cccc(c1)NC(=O)[C@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c3cc(c(c(c3)[N+](=O)[O-])C)C C08684409 RHF 6-31G(d) (6D,10F) C1 510.133497 |X|Y|Z| 80.905110 98.198748 42.935600 69.871459 25 6 7 8 16 21 2 1 1 |36.858105| |12.603356|36.858105| |7.534740|13.697647|36.858105| |5.017982|7.927813|13.773913|36.858105| |4.414981|6.795191|7.887110|13.750434|36.858105| |5.007673|7.864901|6.862392|7.978651|13.709899|36.858105| |7.579220|13.745035|7.978845|6.934592|7.915789|13.681290|36.858105| |3.894986|5.186887|4.555567|5.138640|7.721759|13.526853|7.998991|53.358707| |3.088621|3.905395|3.680270|4.308546|6.242749|7.658544|5.204675|19.173891|36.858105| |2.844696|3.603829|3.610796|4.464518|6.496923|6.506595|4.468084|11.435762|15.856125|73.516695| |2.645019|3.138920|2.902856|3.219128|4.177810|5.016236|4.021507|10.683808|12.379057|14.174354|36.858105| |2.594270|3.037794|2.790030|3.052847|3.885991|4.674839|3.867227|9.614612|8.912706|11.128877|17.621976|0.500000| |2.224781|2.591097|2.478829|2.774550|3.467515|3.808610|3.134830|6.931381|7.539843|12.351666|12.564458|0.246049|36.858105| |2.702958|3.115340|2.793016|2.975718|3.702241|4.590944|3.998377|9.076667|7.844281|10.026056|13.418175|0.258797|8.055444|73.516695| |2.867946|3.205182|2.770909|2.843612|3.431755|4.398396|4.149836|8.271888|5.884323|7.762167|7.966697|0.212657|5.349230|25.159620|36.858105| |3.030085|3.386985|2.888784|2.942463|3.552618|4.648435|4.452947|8.791868|5.733756|7.499616|7.168151|0.229772|4.745412|15.361391|15.906072|73.516695| |2.676503|2.867265|2.479374|2.486097|2.876262|3.546009|3.532393|5.961937|4.233009|6.100864|5.178549|0.135566|4.145119|14.449388|12.916529|14.101455|36.858105| |2.292080|2.451608|2.185635|2.219945|2.544128|2.999037|2.919179|4.922659|3.728204|5.642681|4.644071|0.117896|4.157745|12.368623|7.723019|9.542486|13.614287|36.858105| |2.097481|2.189793|1.963869|1.970405|2.201560|2.538186|2.526779|3.977875|2.966117|4.650901|3.485940|0.090392|3.250072|8.276305|5.087998|7.125236|7.870238|13.887473|36.858105| |2.173980|2.211564|1.956973|1.924407|2.113888|2.448335|2.519536|3.733380|2.680759|4.206169|3.024733|0.080168|2.748290|6.918430|4.498069|6.687958|6.896811|8.029503|13.630857|36.858105| |2.488399|2.496084|2.155099|2.085662|2.286937|2.710310|2.872878|4.111366|2.839507|4.372581|3.142699|0.084582|2.734451|7.187236|5.039184|7.729345|7.911780|6.898631|7.880081|13.915588|36.858105| |2.849225|2.922987|2.470225|2.398637|2.690021|3.313241|3.517331|5.211233|3.497367|5.178232|3.920709|0.106166|3.212659|9.403677|7.566037|11.252674|13.424215|7.771075|6.684282|7.824543|13.417309|36.858105| |3.385899|3.399005|2.765662|2.619561|2.912995|3.689890|4.148299|5.641841|3.547516|5.206068|3.770587|0.105026|3.001406|8.401651|6.728307|11.962638|7.988413|5.194304|4.537272|5.156023|7.744112|14.095223|53.358707| |3.377112|3.163329|2.576484|2.374017|2.538788|3.096722|3.602119|4.445280|2.815766|4.294485|2.902005|0.081658|2.412111|6.053482|4.346718|8.031404|4.934722|3.790658|3.611799|4.314859|6.253278|7.398414|16.523719|388.023441| |3.564389|3.200936|2.607917|2.356684|2.458966|2.938415|3.485593|4.051310|2.580501|4.026858|2.584953|0.071038|2.195509|5.339356|3.602693|6.394413|4.107184|3.363044|3.320733|4.017239|5.517776|5.731118|10.172158|93.476493|73.516695| |2.725619|2.573828|2.170786|2.030540|2.164283|2.564339|2.871082|3.719327|2.440191|3.775589|2.579590|0.073663|2.204231|5.305410|3.744715|6.930423|4.311727|3.514344|3.484187|4.257291|5.928841|6.094723|10.242056|93.482258|13.897249|73.516695| |4.039249|3.665157|2.900636|2.612451|2.760024|3.395566|4.128126|4.711318|2.871514|4.379018|2.857081|0.082525|2.342565|5.618123|3.926456|7.920495|3.922975|3.075875|2.836347|3.151935|4.056171|4.916838|10.147100|75.908378|13.126988|13.008675|36.858105| |3.822481|3.690241|2.958077|2.727500|2.949073|3.676642|4.321996|5.261564|3.167417|4.749151|3.177955|0.095245|2.550471|6.060934|4.296648|9.473794|3.967942|3.081927|2.752629|2.939688|3.647167|4.590121|8.943393|48.990647|8.830269|10.055426|13.750808|36.858105| |3.867379|3.709673|3.029516|2.774836|2.940264|3.552187|4.150209|4.886807|2.953614|4.529514|2.882857|0.087271|2.355280|5.239700|3.503752|7.639486|3.161885|2.570893|2.313297|2.425785|2.883697|3.466427|6.106228|33.323647|6.807936|7.348924|7.875381|13.732621|36.858105| |4.176182|3.718989|3.051473|2.703700|2.748217|3.206933|3.848919|4.198120|2.566703|4.044513|2.453401|0.072499|2.055808|4.452356|2.880620|5.954444|2.679797|2.239839|2.058990|2.178354|2.563063|2.962256|5.080748|29.466397|6.535092|6.537096|6.771506|7.884901|13.591443|36.858105| |4.512352|3.726983|3.006889|2.605403|2.608815|3.039130|3.748980|3.932836|2.416761|3.829054|2.310546|0.066794|1.951988|4.297392|2.783373|5.553207|2.687578|2.252419|2.106209|2.275539|2.715367|3.074059|5.342850|33.694056|7.922289|7.254499|8.029636|6.998666|8.009126|13.673577|36.858105| |4.395896|3.676398|2.919351|2.553025|2.601301|3.095575|3.839509|4.095638|2.518033|3.943050|2.444350|0.069892|2.052243|4.696157|3.118236|6.114922|3.117465|2.563871|2.414851|2.675622|3.310206|3.756612|6.882007|49.518885|11.654546|9.763312|13.848220|7.979606|6.824708|7.777504|13.747804|36.858105| |4.321717|3.411939|2.850801|2.435719|2.366507|2.659190|3.236870|3.370443|2.111482|3.418951|2.001408|0.057210|1.726709|3.695469|2.328892|4.525057|2.274195|1.958986|1.858863|2.005498|2.340801|2.565289|4.250393|26.381323|6.695944|5.876606|5.183589|4.559059|5.101750|7.679975|13.052908|7.913902|53.358707| |3.690107|2.956099|2.515186|2.174611|2.117026|2.360200|2.821695|3.027075|1.927935|3.137803|1.847794|0.052493|1.612252|3.447626|2.168945|4.142168|2.166240|1.888001|1.820229|1.988046|2.315956|2.472418|4.026519|25.797218|6.815906|5.913725|4.676136|3.933017|4.120556|5.475829|8.365769|7.014369|21.715866|73.516695| |4.519313|3.536824|3.023745|2.550360|2.424329|2.665689|3.228862|3.308144|2.074672|3.397809|1.937490|0.055340|1.680351|3.518306|2.177940|4.230071|2.094805|1.821488|1.719738|1.829089|2.100440|2.306910|3.747121|22.138007|5.607486|4.945358|4.161731|3.912716|4.562365|6.739607|8.336570|5.576962|21.638316|16.044305|73.516695| |3.665756|3.326191|2.877870|2.572566|2.562488|2.864301|3.310725|3.697674|2.312877|3.727763|2.192618|0.064935|1.875510|3.882285|2.435375|4.968549|2.251211|1.932387|1.784717|1.863522|2.134756|2.417611|3.948793|22.169505|5.084261|5.102691|4.402611|5.011928|7.545161|12.580792|7.439216|4.950372|8.712017|8.379466|12.174862|36.858105| |3.277114|3.339600|2.860351|2.725721|2.944615|3.479288|3.778390|4.927150|3.051823|4.695310|3.007907|0.094441|2.465828|5.233452|3.415868|7.655385|2.960936|2.455309|2.182289|2.228138|2.568248|3.073768|5.076759|25.809874|5.372548|5.957369|5.030529|7.636668|12.577579|7.487541|5.025222|4.425320|5.162878|5.656999|6.453328|6.463160|36.858105| |17.579468|8.840075|5.652024|4.214465|3.959114|4.704599|7.110542|5.273855|3.077036|4.946968|2.700205|0.073263|2.257107|5.059755|3.088541|5.740985|2.954165|2.494896|2.295654|2.419548|2.826154|3.243961|5.380575|28.676490|7.868073|5.559752|4.767787|4.229723|4.046402|4.312789|4.958127|5.236329|6.266718|7.154661|7.989361|3.578147|3.292533|0.500000| |17.532966|8.834420|6.211186|4.430692|3.961627|4.448810|6.306130|4.891759|2.875973|4.698009|2.506263|0.069701|2.113040|4.503372|2.719869|5.229805|2.524057|2.159448|1.980306|2.057965|2.359806|2.697839|4.408278|23.553584|6.055167|4.844406|4.203370|4.069302|4.373878|5.035133|5.356183|4.771223|7.114770|7.459919|10.299816|4.505652|3.646845|0.302351|0.500000| |17.561320|8.841277|7.109970|4.713269|3.951165|4.189262|5.648430|4.519766|2.740748|4.601805|2.361482|0.063890|2.033661|4.282365|2.513775|4.639626|2.384111|2.088028|1.936734|2.007108|2.262881|2.526647|3.969562|20.918370|5.651989|4.326109|3.377547|3.167139|3.207661|3.500040|3.819864|3.722937|5.289904|6.117473|7.383644|3.196800|2.784220|0.301364|0.302079|0.500000| |6.970993|8.896050|17.697175|8.919179|5.626226|4.944991|5.658325|4.931314|3.054110|5.395725|2.494760|0.066982|2.179965|4.299841|2.409497|4.445292|2.200619|1.965206|1.792574|1.797995|1.969840|2.215284|3.354296|16.741303|4.299928|3.574061|2.643205|2.656454|2.749414|2.849135|2.846854|2.729423|3.806791|4.420517|5.382174|2.750606|2.587431|0.143340|0.165909|0.213461|0.500000| |4.089542|5.642254|8.936725|17.695701|8.961322|5.669026|4.982188|5.654894|3.730600|7.166643|2.869750|0.075738|2.562749|4.684989|2.494505|4.554528|2.208130|2.009173|1.800790|1.753148|1.877247|2.124565|3.111278|14.889682|3.709734|3.238328|2.280318|2.373447|2.429302|2.387813|2.302861|2.245443|2.980067|3.510208|4.102103|2.318504|2.415752|0.097042|0.103225|0.111833|0.215630|0.500000| |3.538301|4.919274|5.628221|8.896731|17.818696|8.907015|5.639116|9.523202|6.763288|14.632753|4.390644|0.111880|3.793272|6.585056|3.304071|6.003378|2.752704|2.489844|2.147823|2.030847|2.160413|2.518597|3.622164|16.416171|3.949520|3.564076|2.465940|2.650146|2.638132|2.447511|2.312063|2.309841|2.866607|3.383285|3.824167|2.308952|2.703839|0.090296|0.090317|0.090134|0.123972|0.215545|0.500000| |7.040889|8.924996|5.659595|4.981944|5.642318|8.926362|17.688723|10.113610|4.918015|7.193708|4.107956|0.111412|3.137488|7.669607|4.800321|9.350600|4.114787|3.252286|2.798596|2.838328|3.343988|4.248968|7.280409|32.114784|7.564926|6.092954|5.286307|5.468465|4.896696|4.374633|4.338648|4.666031|4.851291|5.516521|6.087824|3.538067|4.202729|0.213724|0.169995|0.143486|0.124193|0.107987|0.124188|0.500000| |3.923215|4.920346|4.093102|4.307240|5.757046|9.320163|7.641721|25.974803|9.515636|10.881482|7.716914|0.211067|4.817776|13.130710|7.812682|16.434201|5.204436|4.020083|3.190745|3.027646|3.426710|4.558963|6.973232|27.290114|5.977650|5.608316|4.095313|4.719002|4.193350|3.450742|3.212168|3.407304|3.636539|4.252199|4.579941|2.941178|4.167090|0.112046|0.102322|0.091203|0.092659|0.098414|0.143671|0.235168|0.500000| |2.134875|2.498825|2.440673|2.779778|3.472892|3.657750|2.971730|6.407171|6.885436|12.726089|8.866065|0.211910|17.603751|10.221252|4.301303|7.244366|3.412125|3.374737|2.747481|2.383873|2.388365|2.769366|3.611077|15.568376|3.561513|3.578851|2.173427|2.384042|2.253718|1.981074|1.863592|1.929476|2.259504|2.746452|2.897718|1.836669|2.402334|0.059308|0.056756|0.054474|0.059872|0.072425|0.109039|0.080929|0.120295|0.500000| |2.047149|2.329316|2.210953|2.422121|2.935067|3.238167|2.779188|5.702622|5.504160|8.882487|8.921725|0.214322|17.567642|13.034458|5.262448|8.209592|4.244347|4.452750|3.468073|2.867159|2.798103|3.241341|4.023966|16.943231|3.820218|3.948994|2.279842|2.479633|2.273286|1.977530|1.880683|1.986891|2.262324|2.776226|2.858191|1.801986|2.383588|0.058148|0.054428|0.052117|0.054661|0.062450|0.087194|0.078812|0.115866|0.299776|0.500000| |2.202504|2.565967|2.477978|2.783702|3.447678|3.708585|3.064689|6.454433|6.859583|12.349367|8.857575|0.173603|17.606260|12.906198|4.815748|7.332974|3.988101|4.151891|3.301668|2.765031|2.708139|3.118811|3.916525|16.567111|3.847160|3.763403|2.231099|2.375549|2.188014|1.940462|1.868646|1.975169|2.271996|2.786324|2.890422|1.770470|2.246517|0.062214|0.057409|0.056482|0.060751|0.071914|0.105255|0.084391|0.121564|0.301669|0.299959|0.500000| |2.171058|2.361850|2.144189|2.219863|2.574780|2.985357|2.810707|4.989930|3.997282|6.118799|5.266222|0.129245|5.036434|14.045249|7.232929|9.035067|8.934684|17.738314|8.983481|5.681109|4.967074|5.583246|5.745279|22.734594|5.108246|5.297450|2.730337|2.795691|2.395836|2.092436|2.077049|2.314415|2.478323|3.104765|3.044210|1.834178|2.342415|0.064559|0.056871|0.055210|0.053477|0.056220|0.071403|0.084789|0.110038|0.109118|0.156340|0.141316|0.500000| |1.896098|1.981579|1.805128|1.823254|2.025658|2.287577|2.253816|3.547331|2.697370|4.330725|3.153461|0.081548|3.076922|7.152206|4.140893|5.991069|5.607056|8.923242|17.718954|8.824321|5.618826|4.853417|4.916997|21.413954|5.029483|5.244678|2.445480|2.386764|2.051207|1.845708|1.882594|2.127033|2.291454|2.940576|2.788776|1.623194|1.957285|0.057054|0.049814|0.049134|0.046084|0.046767|0.055467|0.068058|0.077388|0.072926|0.092383|0.088142|0.215226|0.500000| |1.996650|2.007928|1.793634|1.757754|1.905619|2.170495|2.241582|3.245779|2.336503|3.733023|2.591409|0.069021|2.404434|5.696843|3.586011|5.530239|4.961684|5.684727|8.882332|17.682207|9.032938|5.603863|5.681332|26.925205|6.529616|6.880523|2.821609|2.607136|2.191649|2.001900|2.106567|2.461882|2.567582|3.363494|3.060481|1.729940|2.014160|0.061513|0.052676|0.051796|0.046249|0.044842|0.050964|0.069277|0.072058|0.058855|0.069646|0.067571|0.124549|0.213009|0.500000| |2.482329|2.423885|2.086690|1.990543|2.144574|2.517743|2.725903|3.713316|2.531328|3.948217|2.728563|0.074220|2.391328|5.975103|4.088323|6.633991|5.627648|4.969717|5.634672|9.014058|17.769482|8.845257|9.524723|50.055002|11.760833|12.645216|4.252401|3.637244|2.880712|2.614399|2.840061|3.543274|3.356280|4.415577|3.879119|2.165501|2.511675|0.079102|0.065806|0.063064|0.053527|0.049905|0.055917|0.088132|0.085280|0.059081|0.067498|0.065785|0.107837|0.124080|0.219384|0.500000| |3.407910|3.452026|2.824055|2.683351|2.987060|3.768616|4.201392|5.741197|3.503359|5.129272|3.665057|0.112529|2.875474|7.097945|5.332431|12.745409|4.740873|3.547517|3.078531|3.232379|4.016597|5.337421|10.300933|47.138960|8.170686|10.066296|9.000010|17.757968|8.910775|5.620514|5.021335|5.690087|4.939908|5.746614|5.723991|4.087008|7.109666|0.103518|0.097749|0.079592|0.069780|0.065023|0.075779|0.146522|0.149003|0.073752|0.078396|0.073214|0.089061|0.073256|0.078011|0.107119|0.500000| |4.191683|3.420916|2.759054|2.402359|2.417904|2.827542|3.477799|3.714252|2.321687|3.680237|2.253799|0.063530|1.921475|4.367892|2.855486|5.416248|2.940041|2.467626|2.373824|2.672883|3.297877|3.584723|6.300788|47.219664|13.408063|9.476550|8.937875|5.663142|4.932778|5.582109|8.894517|17.791378|9.993401|13.726614|9.226651|4.051613|3.543931|0.142313|0.122180|0.102527|0.072776|0.059206|0.059885|0.114597|0.084257|0.050089|0.051773|0.051944|0.061616|0.058354|0.069359|0.100896|0.124905|0.500000| |4.074797|3.717856|3.253556|2.869478|2.802909|3.084422|3.583914|3.864693|2.397933|3.899440|2.222366|0.065411|1.901112|3.883514|2.395221|4.856932|2.189593|1.887833|1.735128|1.795917|2.041203|2.317928|3.750440|20.512431|4.796511|4.633717|3.937636|4.426049|6.241465|8.844236|6.182281|4.378109|7.787593|7.547929|12.111577|17.561008|5.739204|0.105577|0.144708|0.098477|0.086910|0.071722|0.069467|0.102897|0.083795|0.052056|0.050234|0.050002|0.050140|0.043979|0.046264|0.057075|0.103439|0.102517|0.500000| |3.345414|2.963196|2.606013|2.322133|2.284164|2.513380|2.889670|3.240511|2.059063|3.353336|1.962069|0.057588|1.702457|3.498555|2.180871|4.363353|2.054328|1.785529|1.670317|1.755366|2.000868|2.221222|3.579312|20.563651|4.831261|4.822606|3.938084|4.197192|5.636287|8.794402|6.925325|4.636831|9.671696|9.423992|14.095854|17.652111|4.842422|0.091372|0.113004|0.083564|0.070578|0.058867|0.057545|0.085227|0.070927|0.046299|0.045639|0.044953|0.047013|0.042417|0.045700|0.056984|0.096692|0.110270|0.303842|0.500000| |3.144244|2.974602|2.627587|2.415991|2.446281|2.719469|3.036045|3.594637|2.282595|3.679319|2.193315|0.065889|1.884492|3.843288|2.408458|4.965663|2.206788|1.903396|1.752439|1.816257|2.064123|2.338796|3.764241|20.714427|4.655698|4.888583|3.974888|4.748561|7.187155|8.891109|5.622817|4.185643|6.537528|6.827292|8.816038|17.619102|7.483946|0.085396|0.103209|0.076948|0.069345|0.060989|0.062198|0.089632|0.079553|0.051555|0.050578|0.048993|0.050484|0.044410|0.046812|0.057750|0.112407|0.096535|0.301636|0.302562|0.500000| |3.455158|3.602877|3.136617|2.999613|3.214962|3.727149|4.005530|5.102295|3.133641|4.890327|2.980656|0.092963|2.454755|5.043574|3.179435|6.976062|2.725646|2.293070|2.035580|2.058084|2.339947|2.777961|4.500806|22.621211|4.893450|5.142260|4.264150|5.840248|8.792107|6.743094|4.606871|3.945229|4.987234|5.393794|6.535670|6.713557|17.552783|0.093034|0.108630|0.081426|0.078606|0.073783|0.081580|0.118325|0.115871|0.067439|0.064951|0.062273|0.061525|0.051120|0.051879|0.063356|0.151435|0.090024|0.185118|0.135823|0.215345|0.500000| |2.824379|2.831738|2.486381|2.379819|2.537104|2.909146|3.113320|4.114412|2.638417|4.136901|2.642478|0.082675|2.228726|4.606123|2.970341|6.455234|2.642170|2.240168|2.021624|2.070528|2.360405|2.749892|4.420491|23.113227|4.863425|5.579266|4.326185|5.996195|8.786660|6.498342|4.521421|3.944028|4.850200|5.422629|6.070321|6.299908|17.527147|0.078830|0.087187|0.068329|0.063641|0.059655|0.065699|0.094503|0.094501|0.060673|0.060598|0.056549|0.059521|0.050809|0.052562|0.064692|0.157045|0.089922|0.147245|0.137183|0.230183|0.301980|0.500000| |3.081083|3.243056|2.792301|2.728323|3.041690|3.658560|3.821739|5.481505|3.426633|5.150992|3.486425|0.113419|2.797511|6.020146|4.008559|9.500429|3.347077|2.738147|2.385917|2.402380|2.761944|3.382960|5.516670|26.463507|5.375962|6.128711|4.832766|7.446777|8.896039|5.566302|4.218254|4.006375|4.431546|5.007116|5.497902|4.750423|17.600790|0.086853|0.091935|0.072986|0.069280|0.067055|0.078663|0.119098|0.132793|0.075274|0.075528|0.069509|0.072906|0.059121|0.059617|0.073569|0.231327|0.091177|0.122313|0.105900|0.146192|0.302244|0.302099|0.500000| 2042.649569 -13232.089306 5186.011623 -241.583361 -6245.011474 4199.531012 -2045.480462 2.001386 3D4AFFFFFFFFFFC6 45816FED3F3FCB9B 4500B80507E8CAE3 4206299DE8000003 37C16C2614EA0800 440D0145E60020F0