Version2.0 2020-01-30T11:43:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)n2c(nnc2SCC(=O)NNC(=C)c3cccc(c3)[N+](=O)[O-])c4ccc(cc4)Cl C01857112 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)n2c(nnc2SCC(=O)NNC(=C)c3cccc(c3)[N+](=O)[O-])c4ccc(cc4)Cl C01[X(C25H21Cl1N6O3S1)] 165 C1 590 O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)NNC(=C)c1cccc(c1)[N+](=O)[O-] O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)NNC(=C)c1cccc(c1)[N+](=O)[O-] Cc1ccc(cc1)n2c(SCC(=O)NNC(=C)c3cccc(c3)[N+]([O-])=O)nnc2c4ccc(Cl)cc4 InChIKey=IHGCDRVWLYJABY-UHFFFAOYSA-N InChI=1S/C25H21ClN6O3S/c1-16-6-12-21(13-7-16)31-24(18-8-10-20(26)11-9-18)29-30-25(31)36-15-23(33)28-27-17(2)19-4-3-5-22(14-19)32(34)35/h3-14,27H,2,15H2,1H3,(H,28,33) InChI=1/C25H21ClN6O3S/c1-16-6-12-21(13-7-16)31-24(18-8-10-20(26)11-9-18)29-30-25(31)36-15-23(33)28-27-17(2)19-4-3-5-22(14-19)32(34)35/h3-14,27H,2,15H2,1H3,(H,28,33)/f/h28H Cc1ccc(cc1)n2c(nnc2SCC(=O)NNC(=C)c3cccc(c3)[N+](=O)[O-])c4ccc(cc4)Cl C01[X(C25H21Cl1N6O3S1)] 165 C01 590 O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)NNC(=C)c1cccc(c1)[N+](=O)[O-] O=C(NNC(=C)c1cccc(c1)N(O)O)CS[C@@H]1NN[C@@H](N1c1ccc(cc1)C)c1ccc(cc1)Cl Cc1ccc(cc1)N2[C@@H](NN[C@@H]2c3ccc(Cl)cc3)SCC(=O)NNC(=C)c4cccc(c4)N(O)O InChIKey=VOVVZMQWMITQGS-LOSJGSFVSA-N InChI=1S/C25H27ClN6O3S/c1-16-6-12-21(13-7-16)31-24(18-8-10-20(26)11-9-18)29-30-25(31)36-15-23(33)28-27-17(2)19-4-3-5-22(14-19)32(34)35/h3-14,24-25,27,29-30,34-35H,2,15H2,1H3,(H,28,33)/t24-,25+/m0/s1 InChI=1/C25H27ClN6O3S/c1-16-6-12-21(13-7-16)31-24(18-8-10-20(26)11-9-18)29-30-25(31)36-15-23(33)28-27-17(2)19-4-3-5-22(14-19)32(34)35/h3-14,24-25,27,29-30,34-35H,2,15H2,1H3,(H,28,33)/t24-,25+/m0/s1/f/h28H 3685.6975037386 -2367.0437647 1-A 39720.4437 135 455 590 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1567.7165 1569.8018 1570.7506 1575.6994 1593.7432 1601.0274 1634.3577 1637.0177 1642.4382 1657.0877 1668.5956 1670.5658 1680.8998 1699.0892 1715.7406 1737.7065 1772.7307 1774.6083 1777.0015 1802.8012 1814.6711 1820.5253 1865.9649 1879.9697 1979.2687 3207.9576 3266.2274 3267.2673 3287.3027 3318.6972 3366.5267 3367.8346 3369.9720 3383.2964 3389.3276 3392.0940 3396.6120 3397.9210 3403.6050 3413.8311 3415.0554 3441.0208 3446.0806 3453.1327 3779.7822 3868.9476 8.4224 8.0898 7.4472 1.0624 7.7308 4.4208 7.4468 9.1320 4.9955 3.7999 7.9702 7.3359 4.0834 7.9104 5.3281 6.0037 5.1239 7.2007 4.9021 5.3444 6.6343 5.8305 6.4888 6.4158 7.8379 7.5379 6.2231 4.5946 6.3077 4.2936 3.6258 4.0717 4.0093 4.9726 5.0044 6.3939 2.9886 3.0875 2.8837 3.8963 3.2209 2.7607 10.7188 4.3609 5.0209 3.6729 5.0404 4.8219 2.7108 4.8936 2.3656 5.2751 6.4043 4.9681 6.7236 2.4927 2.9603 10.6622 1.6133 4.4166 3.5420 3.7552 4.9575 5.8727 2.8260 3.0328 5.1810 5.7339 3.2828 1.6427 1.5243 1.2908 1.2472 1.5150 2.7152 1.8261 1.9203 3.3280 1.5921 6.1144 1.4723 1.5783 4.2385 1.4302 1.5563 2.4475 1.4039 4.2035 1.3640 3.6066 1.3530 2.9309 1.5808 7.7549 1.9000 1.9301 2.0986 1.8004 3.0035 2.6355 2.2156 4.4404 3.0112 3.6165 2.2599 1.2380 1.1918 1.1599 2.7637 1.7265 2.6005 6.0513 1.4460 1.3707 2.3670 1.3843 4.4510 1.7371 3.4847 1.3350 2.3180 3.5365 1.2553 2.8404 1.0905 1.0591 1.0894 7.2574 2.7517 2.1370 1.7593 10.1042 2.7835 1.3826 7.7856 6.5641 5.4854 6.6200 6.1859 5.7390 5.6155 9.2553 5.8709 10.3297 1.0389 1.0997 1.0601 1.1039 1.1063 1.0904 1.0902 1.0621 1.0903 1.0960 1.0961 1.0905 1.0910 1.0951 1.0956 1.0963 1.0947 1.0937 1.1169 1.0760 1.0797 0.0003 0.0004 0.0007 0.0004 0.0039 0.0025 0.0050 0.0094 0.0063 0.0057 0.0130 0.0202 0.0154 0.0329 0.0265 0.0446 0.0537 0.0906 0.0698 0.0795 0.1304 0.1393 0.1746 0.2347 0.3385 0.3499 0.3444 0.2959 0.4117 0.2893 0.2565 0.3255 0.4022 0.5065 0.5540 0.7364 0.3688 0.3894 0.3676 0.5162 0.4440 0.4084 1.6887 0.7547 0.9332 0.7105 1.0513 1.0461 0.6576 1.2694 0.6301 1.4349 1.8256 1.4358 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2.5406 1.3892 4.3826 2.7725 8.8162 12.6912 3.4461 0.3299 5.2694 21.9408 7.2033 6.2390 46.6930 3.6388 2.0335 22.5981 18.5248 33.7424 5.2466 9.7086 8.0460 43.0078 8.2942 3.7787 0.6261 2.2743 25.4743 40.9681 1.7259 34.3056 3.7924 22.4384 34.2544 12.8958 16.6307 45.3434 30.0278 6.8069 36.4418 19.1171 18.5524 29.3800 9.4163 0.5789 40.6000 12.7426 57.0346 13.4152 4.6672 9.0802 21.0754 0.3709 1.6326 0.0888 0.0334 0.6052 17.1775 0.9602 5.7442 0.8498 24.3183 0.3675 2.7685 8.6755 1.0820 7.9778 2.5483 2.9021 4.8017 71.6119 43.3239 91.6578 8.7859 88.0366 4.3474 4.7101 1.6726 0.8110 2.6093 4.7795 21.6015 138.3261 10.1129 12.2509 1.3997 20.9681 2.1158 19.8736 43.3756 49.6507 4.2732 4.1827 65.3640 4.6220 33.8890 20.1490 6.3393 7.4707 311.1980 21.7931 401.2693 73.6410 129.7021 114.8628 50.7676 9.9207 10.1530 57.1800 4.9099 106.4691 31.6441 0.1273 261.1895 145.0912 181.2402 32.3461 24.2276 14.7697 20.5412 0.1541 13.0798 14.1168 0.6884 9.9291 9.2542 2.9288 5.6994 1.0668 7.2738 6.9517 0.2955 1.5440 3.8259 11.3085 22.9772 53.4390 2.2540 1.7697 1.9230 0.8020 2.8448 3.2304 1.8863 5.8398 2.8291 7.6033 0.5279 3.3673 1.7835 0.7059 1.2941 0.8947 1.4707 0.2232 2.3885 3.6907 0.5815 1.9737 1.9296 1.5682 1.0386 1.2533 3.9865 0.6009 1.2157 1.2233 3.9559 4.2908 4.2505 4.3586 2.5597 1.0806 0.7127 0.9532 4.5618 1.0040 0.8885 2.0491 4.9024 0.3114 1.4387 4.1626 2.2466 0.4464 0.5372 3.2539 4.3953 2.8847 6.2793 3.8267 3.9368 2.3747 4.4050 1.1166 4.8884 1.7194 4.3186 4.5048 8.5536 2.8846 12.7268 10.3528 22.4340 32.1337 13.6367 2.3393 0.4246 2.9962 2.5734 1.1349 5.2239 3.2468 0.6288 4.5502 1.3408 8.0912 3.7579 11.8248 26.0671 3.3356 1.1838 13.5892 1.0653 2.5537 0.4597 2.5068 0.2724 4.6866 2.0558 70.5977 1.6454 0.7398 1.9200 2.2412 8.2167 3.8133 3.5345 12.0911 15.3373 4.6572 1.0195 1.6661 10.2187 15.0602 5.8985 1.7238 39.5186 5.0471 2.5625 2.9371 5.7682 2.9672 17.7736 7.6108 21.3911 22.8430 3.1730 91.1106 24.2854 4.0665 9.2412 18.3074 15.5282 88.4963 12.8292 3.8428 6.1597 169.5677 3.4053 5.8842 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14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 7685.1067 69111.4990 74453.4913 0.99996 0.00841 0.00069 -0.00841 0.99995 -0.00582 -0.00074 0.00582 0.99998 1 0.01127 0.00125 0.00116 0.23484 0.02611 0.02424 11.46 12.85 18.44 34.10 42.11 44.53 48.46 60.22 66.82 72.78 75.67 98.37 115.18 120.92 132.14 161.62 191.89 210.24 223.68 228.62 262.79 289.77 307.44 358.52 389.56 403.84 440.94 475.66 478.87 486.53 498.58 529.94 593.72 598.23 623.67 636.13 658.49 665.65 669.26 682.27 695.96 720.97 743.99 779.76 808.11 824.44 856.04 873.07 923.24 954.69 967.38 977.61 1000.77 1007.67 1015.35 1079.13 1089.15 1116.89 1125.50 1132.77 1148.16 1155.01 1177.13 1191.18 1222.44 1238.07 1253.11 1270.06 1299.71 1331.27 1347.79 1359.96 1367.23 1372.42 1436.70 1454.96 1471.14 1519.27 1538.85 1543.85 1563.36 1565.39 1571.67 1572.95 1574.09 1586.21 1586.97 1591.06 1596.50 1603.37 1631.91 1632.66 1689.76 1696.71 1719.26 1720.71 1723.53 1730.87 1738.98 1772.73 1795.62 1800.97 1818.55 1845.09 1871.86 1873.86 1874.09 1883.39 1907.98 1917.73 1982.98 2028.08 2071.90 2086.50 2089.07 2096.77 2125.81 2158.05 2217.85 2255.59 2258.59 2259.96 2267.08 2293.04 2303.52 2351.48 2355.30 2363.10 2384.18 2400.74 2403.57 2418.44 2444.61 2468.57 2500.17 2550.56 2553.27 2556.71 2593.83 2610.91 2619.33 2684.71 2704.86 2847.73 4615.54 4699.37 4700.87 4729.70 4774.87 4843.68 4845.56 4848.64 4867.81 4876.49 4880.47 4886.97 4888.85 4897.03 4911.74 4913.50 4950.86 4958.14 4968.29 5438.26 5566.55 0.462732 0.493573 0.494517 0.391020 -2366.581032 -2366.550192 -2366.549248 -2366.652745 3.471306D-04 MUNgauss RevisionA2.0 retrievium 30-Jan-2020 DUDE Cc1ccc(cc1)n2c(nnc2SCC(=O)NNC(=C)c3cccc(c3)[N+](=O)[O-])c4ccc(cc4)Cl C01857112 RHF 6-31G(d) (6D,10F) C1 520.108438 |X|Y|Z| 187.471852 61.178968 28.842152 69.160049 29 6 7 16 23 5 1 |36.858105| |12.612147|36.858105| |7.545765|13.712456|36.858105| |5.009467|7.886644|13.755013|36.858105| |4.432062|6.832941|7.956394|13.766434|36.858105| |5.013424|7.885259|6.890013|7.940262|13.753408|36.858105| |7.551623|13.690078|7.980402|6.892754|7.961019|13.780793|36.858105| |3.326025|4.517027|5.144935|7.821040|13.326959|7.817004|5.147077|53.358707| |2.843610|3.657245|3.994701|5.386262|7.501565|5.843069|4.174230|18.848566|36.858105| |2.430693|3.008885|3.272167|4.223269|5.340399|4.411141|3.358899|11.915156|14.853236|53.358707| |2.442585|3.023116|3.337204|4.349998|5.362010|4.317283|3.322970|11.899850|8.880125|19.032402|53.358707| |2.877806|3.705043|4.199142|5.855305|7.639603|5.534309|4.076254|19.018955|8.858352|12.161523|20.227168|36.858105| |2.933075|3.679815|4.201632|5.427338|5.989610|4.740752|3.856141|9.444672|4.939249|6.727873|9.517991|10.829543|388.023441| |2.296177|2.729839|3.010819|3.639237|3.958859|3.392500|2.865540|6.478735|4.035157|6.170112|9.123629|7.134296|74.752836|36.858105| |2.150716|2.478359|2.704227|3.105838|3.229494|2.873177|2.545240|4.876447|3.086716|4.537154|5.952725|4.696577|49.787113|12.570093|36.858105| |2.284239|2.606477|2.849057|3.190429|3.216946|2.887455|2.625549|4.614042|2.859324|4.045297|5.095463|4.221303|47.110173|7.947796|15.945287|73.516695| |1.866193|2.110951|2.271808|2.564824|2.672449|2.427433|2.173766|4.048216|2.685960|4.026761|5.091827|3.752895|34.063384|7.915803|13.990070|15.090036|53.358707| |1.726549|1.913896|2.046448|2.252388|2.301775|2.122488|1.946741|3.384061|2.262333|3.323033|4.019562|2.994737|26.574283|5.143758|8.009672|12.479788|18.793609|53.358707| |1.664598|1.823630|1.912842|2.069123|2.130798|2.013705|1.867661|3.080909|2.068130|3.003847|3.555358|2.663139|23.225310|4.177420|5.905902|10.108936|10.912093|18.328956|36.858105| |1.684789|1.849306|1.911078|2.065546|2.169365|2.085121|1.925009|3.141709|2.117325|3.079513|3.633129|2.709658|23.241706|4.136548|5.427821|9.051386|9.259026|10.679220|14.413164|36.858105| |1.538804|1.658796|1.735824|1.846825|1.873009|1.780195|1.679238|2.664414|1.799527|2.582564|2.984255|2.243620|19.164456|3.228918|4.261929|7.786415|7.045162|10.750017|12.776866|7.715384|36.858105| |1.425267|1.531543|1.612629|1.716737|1.728078|1.631786|1.541010|2.468407|1.685923|2.428621|2.779624|2.065142|17.221311|2.895153|3.671382|6.553061|6.109249|8.995965|7.591667|5.269895|13.670907|36.858105| |1.328458|1.411685|1.480629|1.558365|1.557858|1.479943|1.412371|2.202105|1.510448|2.157194|2.430671|1.811235|14.888314|2.412393|2.944377|5.359580|4.630683|6.137357|5.031337|3.966926|7.875821|13.752462|36.858105| |1.321850|1.392530|1.448891|1.508578|1.506134|1.444704|1.391412|2.104219|1.438183|2.034788|2.277926|1.713277|14.110745|2.225346|2.691107|5.017032|4.076456|5.180739|4.437555|3.716862|6.798760|7.933924|13.779111|36.858105| |1.411851|1.487330|1.537813|1.596421|1.600960|1.546051|1.491781|2.224442|1.508468|2.125399|2.390044|1.813818|15.149690|2.372156|2.908885|5.529245|4.338934|5.491351|5.065939|4.357409|7.973168|6.967484|8.032410|13.779214|36.858105| |1.530164|1.629669|1.687100|1.767335|1.786751|1.721436|1.645959|2.498250|1.681905|2.381160|2.716040|2.066895|17.609839|2.820686|3.592936|6.854145|5.458285|7.208186|7.624918|6.269364|13.717566|7.954292|6.859772|7.860896|13.788066|36.858105| |1.382881|1.440291|1.475057|1.512639|1.514361|1.478297|1.442234|2.079543|1.410411|1.968956|2.190803|1.672364|13.854450|2.105814|2.513245|4.822503|3.622708|4.330864|3.854517|3.571892|5.122798|4.542756|5.140579|7.787020|13.053464|7.792991|53.358707| |1.291512|1.336941|1.369280|1.398362|1.393906|1.361000|1.333383|1.910466|1.302878|1.815497|2.003702|1.524733|12.469948|1.880439|2.203795|4.196322|3.165109|3.724569|3.180270|2.950361|4.087002|3.915983|4.688652|7.100984|8.378756|5.428973|21.717349|73.516695| |1.450951|1.507582|1.531596|1.563368|1.571718|1.547401|1.515409|2.144809|1.448178|2.012056|2.238117|1.719702|14.310951|2.146989|2.551331|4.941614|3.608813|4.206101|3.789999|3.682090|4.679384|3.916881|4.100784|5.425390|8.373464|7.098850|21.730676|16.020116|73.516695| |2.818824|3.545680|3.737327|4.664696|6.005570|5.332329|4.060268|10.173203|12.892438|10.651403|7.256696|5.296837|25.843108|3.073996|2.493541|4.187130|3.026087|2.619718|1.784871|1.828152|1.580745|1.491035|1.352281|1.295117|1.353883|1.492301|1.738378|2.112044|2.331548|36.858105| |2.423232|2.918144|2.975400|3.505199|4.317828|4.170234|3.353200|7.009604|7.739631|8.867922|6.142609|4.191893|21.671859|2.730536|2.251628|3.752655|2.799594|2.440182|1.679006|1.733826|1.491193|1.410708|1.282995|1.229183|1.282416|1.409118|1.649596|2.008772|2.211546|13.685138|36.858105| |2.286168|2.669800|2.677114|3.017667|3.530132|3.525452|3.015193|5.285966|5.088847|6.060251|4.637981|3.247393|17.945057|2.282332|1.938816|3.269660|2.436503|2.159917|1.497451|1.542895|1.346323|1.279931|1.174059|1.129287|1.174970|1.280489|1.520319|1.861003|2.037022|7.899633|13.786116|36.858105| |2.443701|2.829775|2.835810|3.123790|3.520409|3.517211|3.124113|4.972862|4.485883|5.144140|4.119340|2.996522|17.030538|2.124571|1.830506|3.129638|2.288176|2.047135|1.419073|1.451997|1.286264|1.225421|1.130057|1.090423|1.133435|1.229228|1.472234|1.807443|1.972171|6.876590|7.984401|13.769076|36.858105| |2.845295|3.380437|3.460436|3.846776|4.251762|4.115517|3.658698|5.769055|5.036170|5.411119|4.394193|3.318152|18.781778|2.268364|1.948682|3.360340|2.401549|2.145353|1.478369|1.503025|1.340015|1.274845|1.174730|1.133937|1.179974|1.281044|1.531933|1.878831|2.052571|7.904099|6.877412|7.916945|13.788874|36.858105| |3.119245|3.926464|4.183045|5.044166|5.893175|5.258074|4.311345|8.270990|7.563078|7.143865|5.611633|4.348752|23.196312|2.707630|2.267642|3.891941|2.747787|2.419834|1.652648|1.678313|1.482919|1.404173|1.284067|1.235339|1.289085|1.410066|1.664610|2.031396|2.231667|13.708369|7.949069|6.871315|7.978754|13.761800|36.858105| |2.156302|2.391222|2.363132|2.503053|2.715887|2.762009|2.579977|3.740781|3.181186|3.842872|3.231751|2.352930|14.000501|1.779049|1.568247|2.699111|1.983741|1.799746|1.256831|1.284584|1.151298|1.101980|1.024230|0.991814|1.027942|1.106235|1.342314|1.656527|1.796369|4.222004|4.775136|7.039452|10.936858|7.044502|4.773394|448.794386| |17.537792|8.863216|6.187975|4.419486|3.986136|4.485522|6.358876|4.195870|2.621436|3.114755|3.188843|2.759300|20.773524|2.300527|2.196365|4.209402|2.589300|2.414282|1.724501|1.747672|1.600264|1.472974|1.375443|1.377511|1.480876|1.605387|1.986178|2.417787|2.738302|2.544213|2.218331|2.081630|2.186421|2.491253|2.733339|15.594384|0.500000| |17.572306|8.839790|5.673190|4.209317|3.965553|4.687773|7.036422|4.175192|2.705662|3.151968|3.116404|2.644236|18.706779|2.110443|1.971809|3.681739|2.358196|2.185220|1.557527|1.586628|1.442294|1.338212|1.250625|1.246050|1.329514|1.436659|1.778285|2.174674|2.439089|2.755417|2.414707|2.318882|2.498676|2.877197|3.062460|17.973441|0.302073|0.500000| |17.579928|8.837996|7.141050|4.716752|3.963864|4.185247|5.615993|4.173897|2.658873|3.118354|3.126718|2.677415|19.407260|2.167690|2.042849|3.860711|2.426451|2.259156|1.591592|1.596064|1.482245|1.383544|1.295414|1.287377|1.366697|1.471737|1.821358|2.232527|2.482246|2.653474|2.282421|2.173351|2.350489|2.757491|2.986738|16.850163|0.302022|0.301560|0.500000| |6.989692|8.911399|17.715091|8.954891|5.662995|4.960714|5.659580|5.685115|3.393495|3.915433|4.014944|3.598765|26.408416|2.768667|2.549711|4.829343|2.942049|2.689054|1.842395|1.820268|1.692432|1.583488|1.463729|1.434303|1.515311|1.649196|1.982543|2.415329|2.677953|3.210707|2.619223|2.398738|2.559770|3.095336|3.612991|17.554193|0.164540|0.144284|0.215723|0.500000| |4.084132|5.621047|8.898168|17.726241|8.932803|5.650535|4.962956|9.787844|5.211361|5.822097|6.119604|5.930880|39.520835|3.810374|3.238267|5.877824|3.634670|3.185316|2.111095|2.076000|1.887146|1.770537|1.604368|1.541218|1.618402|1.788421|2.071686|2.506188|2.774665|4.407507|3.339794|2.875866|2.966103|3.626790|4.718625|19.223231|0.102849|0.097038|0.111980|0.215622|0.500000| |4.087595|5.619878|4.961899|5.651706|8.930300|17.730858|8.906419|9.784835|6.015312|6.322305|6.036037|5.379398|31.488924|3.352870|2.814910|4.934143|3.287157|2.859965|2.010986|2.112677|1.767215|1.615788|1.462292|1.426942|1.529290|1.707297|1.990092|2.389928|2.726117|5.557388|4.596721|3.809124|3.642358|4.049806|5.037033|22.802754|0.104781|0.111043|0.096366|0.107674|0.124356|0.500000| |7.004317|8.906178|5.660880|4.961878|5.664013|8.962716|17.712010|5.685866|3.592678|4.059566|3.989941|3.461447|23.510937|2.573494|2.322879|4.254645|2.744178|2.480656|1.771742|1.841658|1.601702|1.467764|1.351563|1.338863|1.439081|1.582184|1.907503|2.307146|2.629529|3.591317|3.116615|2.873251|2.967213|3.357972|3.761987|20.215237|0.172312|0.209291|0.142256|0.124199|0.107687|0.215732|0.500000| |2.162491|2.558955|2.865791|3.495805|3.724847|3.128043|2.652477|6.266555|4.085524|6.495766|9.674598|6.776088|56.402839|17.608908|8.877640|10.995210|9.578530|6.517393|3.768761|3.620168|3.007436|2.796868|2.345326|2.134582|2.229062|2.599955|2.684539|3.165944|3.530009|3.111902|2.765644|2.310185|2.148996|2.293646|2.738425|14.431060|0.059528|0.055378|0.057436|0.074148|0.105196|0.085416|0.066066|0.500000| |2.196958|2.600534|2.788719|3.328481|3.770402|3.356928|2.803794|6.277152|4.087524|6.469268|9.554248|6.749961|56.316192|17.620609|8.876461|10.886126|9.734941|6.459213|4.089286|4.305883|3.121461|2.778706|2.319444|2.149420|2.301543|2.742902|2.795459|3.257428|3.744668|3.119553|2.843353|2.357933|2.155822|2.262600|2.681946|14.477059|0.061072|0.056866|0.057142|0.070529|0.094045|0.095600|0.071078|0.303759|0.500000| |1.775781|2.012443|2.167717|2.467285|2.591895|2.344582|2.082464|4.015407|2.734705|4.208243|5.328372|3.738259|31.466473|7.495472|9.296846|10.891610|26.054246|12.890724|6.289108|5.660188|4.430773|4.085010|3.158427|2.749198|2.857273|3.474728|3.275957|3.796049|4.232927|2.260622|2.110793|1.831419|1.706891|1.779357|2.032969|11.865960|0.049843|0.046064|0.047246|0.057215|0.071756|0.065293|0.053704|0.209889|0.201192|0.500000| |1.769756|1.954028|2.108717|2.307137|2.312130|2.116732|1.959718|3.351734|2.217370|3.211963|3.860966|2.935781|26.612643|4.848949|7.599362|13.651640|13.212934|25.912380|9.467878|6.027432|7.469395|6.590123|4.666647|3.952554|4.146732|5.288936|4.448130|5.021129|5.587683|1.893568|1.748405|1.553602|1.485177|1.567948|1.769224|10.498382|0.050653|0.045415|0.047535|0.057126|0.067148|0.057475|0.050726|0.127149|0.118484|0.198357|0.500000| |1.600503|1.737020|1.775552|1.894784|1.988253|1.938682|1.809952|2.845128|1.931380|2.784665|3.216891|2.400748|20.121157|3.398688|4.202413|7.277552|6.695732|7.649794|9.155688|17.760736|7.085980|4.909715|3.914599|3.837329|4.665955|6.682942|5.332041|5.659492|7.344087|1.692103|1.616671|1.451307|1.368601|1.410765|1.561634|9.796349|0.046295|0.042110|0.042094|0.047083|0.052533|0.054768|0.048589|0.083926|0.098785|0.120062|0.130743|0.500000| |1.769872|1.966918|2.029261|2.220832|2.375415|2.283447|2.074887|3.493525|2.353289|3.459725|4.147653|3.068502|26.234454|4.865697|6.138326|9.524249|10.257259|9.542945|9.078525|17.772845|5.511084|4.212210|3.295425|3.085152|3.511699|4.677589|4.083793|4.520906|5.547805|2.005796|1.904053|1.677210|1.565342|1.616947|1.817864|11.026726|0.050756|0.046355|0.046286|0.053097|0.061701|0.064928|0.055017|0.114384|0.148969|0.177649|0.150097|0.288620|0.500000| |1.413749|1.528678|1.619709|1.740459|1.754729|1.643177|1.539970|2.536268|1.743494|2.536658|2.914674|2.138248|17.642964|3.045577|3.825507|6.564269|6.653369|9.849907|7.041358|4.953359|8.922748|17.741674|8.935727|5.652035|5.002820|5.658447|4.922740|5.723577|5.724055|1.536077|1.454604|1.316132|1.256456|1.305676|1.440840|9.049488|0.040323|0.036880|0.038188|0.044135|0.050216|0.045233|0.040583|0.083583|0.080983|0.128531|0.193545|0.123001|0.115384|0.500000| |1.258056|1.334624|1.403231|1.477095|1.472272|1.395187|1.332074|2.085316|1.440254|2.059782|2.304930|1.706870|13.828544|2.231595|2.661300|4.788953|4.162119|5.312002|4.102911|3.341954|5.621844|8.923318|17.734500|8.942782|5.687185|4.946501|5.669747|7.166821|6.051285|1.295764|1.232281|1.131565|1.090579|1.132193|1.233281|7.961795|0.036035|0.032956|0.034216|0.038660|0.042412|0.038268|0.035398|0.061203|0.059568|0.080824|0.112355|0.091030|0.079781|0.215723|0.500000| |1.249615|1.307670|1.357503|1.405091|1.398132|1.345155|1.302689|1.944575|1.334322|1.880561|2.086574|1.568687|12.777026|1.984431|2.348742|4.376762|3.498300|4.286392|3.551813|3.087003|4.919250|5.634284|8.870307|17.790898|8.933099|5.625978|9.792216|14.220238|8.838975|1.210453|1.151349|1.063359|1.029872|1.069981|1.159891|7.558215|0.036169|0.032801|0.033915|0.037471|0.039848|0.036875|0.034918|0.053191|0.053320|0.066389|0.090999|0.088973|0.073217|0.124000|0.213605|0.500000| |1.612523|1.715636|1.761156|1.836433|1.866487|1.815309|1.741099|2.590398|1.732500|2.437900|2.781828|2.137282|18.371551|2.888053|3.659746|7.118185|5.348867|6.626631|7.015274|6.651100|8.883495|5.645692|4.951964|5.629487|8.949004|17.798598|9.818581|8.854590|14.244742|1.536118|1.448993|1.315168|1.262149|1.316100|1.450443|9.104282|0.047294|0.042061|0.042806|0.047584|0.051136|0.050123|0.046675|0.072465|0.078675|0.093545|0.133327|0.208812|0.139211|0.124111|0.107529|0.124352|0.500000| |2.236848|2.668550|2.714766|3.193919|3.943071|3.825953|3.072983|6.638238|7.220288|9.763719|6.626730|4.263005|21.936691|2.863151|2.338834|3.841905|2.937907|2.541441|1.751285|1.821924|1.544321|1.458918|1.320908|1.261859|1.317042|1.452756|1.688359|2.051497|2.262988|8.931047|17.754355|8.939322|5.668757|4.957224|5.657753|31.615947|0.057799|0.061707|0.058330|0.066767|0.085256|0.120111|0.080192|0.080560|0.084853|0.062089|0.050104|0.047126|0.056032|0.041902|0.035210|0.032753|0.041484|0.500000| |2.054066|2.351031|2.338637|2.594555|2.993093|3.027984|2.642653|4.463982|4.142950|5.242191|4.137355|2.856044|16.186429|2.107685|1.809556|3.044565|2.302027|2.051707|1.430550|1.479167|1.289864|1.228851|1.129818|1.087272|1.129622|1.228010|1.463572|1.794669|1.959953|5.626811|8.912654|17.751325|8.921791|5.642149|4.953793|53.789526|0.052520|0.058165|0.054305|0.058846|0.069064|0.091668|0.071222|0.059237|0.061009|0.048239|0.040835|0.038834|0.044610|0.035105|0.030296|0.028486|0.035003|0.214844|0.500000| 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