Version2.2 2021-02-04T23:17:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+]1CCN(CC1)c2ccc(cc2)NC(=S)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl C08898244 RHF 6-31G(d) (6D,7F) C[NH+]1CCN(CC1)c2ccc(cc2)NC(=S)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl C01[X(C23H23Cl2N4O2S1)] 159 C1 538 S=C(Nc1ccc(cc1)N1CC[NH+](CC1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl S=C(Nc1ccc(cc1)N1CC[NH+](CC1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl C[NH+]1CCN(CC1)c2ccc(NC(=S)NC(=O)c3oc(cc3)c4cc(Cl)ccc4Cl)cc2 InChIKey=KEDPYCLKRASXRH-UHFFFAOYSA-O InChI=1S/C23H22Cl2N4O2S/c1-28-10-12-29(13-11-28)17-5-3-16(4-6-17)26-23(32)27-22(30)21-9-8-20(31-21)18-14-15(24)2-7-19(18)25/h2-9,14H,10-13H2,1H3,(H2,26,27,30,32)/p+1 InChI=1/C23H22Cl2N4O2S/c1-28-10-12-29(13-11-28)17-5-3-16(4-6-17)26-23(32)27-22(30)21-9-8-20(31-21)18-14-15(24)2-7-19(18)25/h2-9,14H,10-13H2,1H3,(H2,26,27,30,32)/p+1/fC23H23Cl2N4O2S/h26-28H/q+1 C[NH+]1CCN(CC1)c2ccc(cc2)NC(=S)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl C01[X(C23H23Cl2N4O2S1)] 159 C01 538 S=C(Nc1ccc(cc1)N1CC[NH+](CC1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl C[NH]1CCN(CC1)[C]1[CH][CH][C]([CH][CH]1)NC(=S)NC(=O)C1=[CH][CH]=C(O1)[C]1[CH][C]([CH][CH][C]1Cl)Cl C[NH]1CCN(CC1)[C]2[CH][CH][C]([CH][CH]2)NC(=S)NC(=O)c3oc(cc3)[C]4[CH][C](Cl)[CH][CH][C]4Cl InChIKey=SONKEYZRZPZYMA-UHFFFAOYSA-N InChI=1S/C23H23Cl2N4O2S/c1-28-10-12-29(13-11-28)17-5-3-16(4-6-17)26-23(32)27-22(30)21-9-8-20(31-21)18-14-15(24)2-7-19(18)25/h2-9,14,28H,10-13H2,1H3,(H2,26,27,30,32) InChI=1/C23H23Cl2N4O2S/c1-28-10-12-29(13-11-28)17-5-3-16(4-6-17)26-23(32)27-22(30)21-9-8-20(31-21)18-14-15(24)2-7-19(18)25/h2-9,14,28H,10-13H2,1H3,(H2,26,27,30,32)/f/h26-27H 3363.5322294812 -2568.1340048 1-A 32760.9220 127 411 538 |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| -104.89028 -104.88863 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1.9677 2.2286 1.2355 0.9646 1.0155 1.4236 1.9456 1.1364 1.5969 4.3286 1.2702 1.0836 1.6605 3.7790 2.0516 4.0340 2.6493 2.3938 2.5431 1.5844 1.4679 1.4021 1.4439 1.2682 3.1061 2.8947 2.0254 2.2436 5.1460 4.0182 3.3888 1.7932 1.5828 5.0170 1.8173 1.7784 1.8269 1.7115 4.2894 1.7139 1.9723 4.2343 3.8976 2.0371 1.7933 2.0041 1.9284 1.6670 1.6947 1.6950 1.7372 4.0588 1.7450 1.7886 2.8350 4.2780 10.3015 3.2216 11.9399 9.9230 10.5817 12.2345 10.7157 25.5297 6.2303 6.2504 6.4683 6.7021 6.7175 7.0164 7.0431 7.3154 7.3305 7.3932 7.2749 7.4145 7.3730 7.4143 7.4422 7.5187 7.5492 7.5533 7.7764 7.8780 8.6151 9.3145 9.4022 2.3774 2.5778 2.1712 1.8495 1.6226 1.1305 4.4999 0.9884 3.1751 0.0800 1.7209 3.8329 3.9841 4.9164 1.1937 1.3886 1.8309 1.2645 1.9572 0.5643 0.2182 0.8052 1.0584 0.3052 13.6747 7.2328 4.3828 2.6570 0.9138 3.4837 107.2134 8.1288 6.6453 15.3041 2.1383 1.8013 1.0189 5.9167 2.0967 0.8175 10.4735 10.5115 14.2316 105.0560 12.3831 22.9311 1.3047 15.4227 2.0827 30.4798 5.4457 13.9182 2.8078 30.1694 2.4363 31.4833 9.5437 44.4161 5.6589 15.0469 3.1598 4.6282 3.1951 31.5624 43.0488 39.6336 35.8857 17.7555 15.8248 8.1335 6.6620 8.8636 71.8747 15.8887 3.9510 0.3210 2.3698 23.4562 14.2511 36.8065 12.6879 111.4581 0.0643 2.6156 3.1239 6.9158 18.9073 43.5237 80.5636 24.8116 27.9700 6.8176 5.4254 10.4925 4.2542 19.3473 511.1567 5.6812 126.4455 83.9809 79.8985 146.4409 124.4711 4.7278 30.9181 410.7746 89.9370 17.6744 2.1459 4.1510 6.6024 0.9901 1.6320 57.8035 14.4140 114.3083 31.5404 1.8811 0.4196 2.2219 23.9150 48.0904 3.8926 127.5268 41.8254 1.6529 234.4132 639.3378 89.7082 279.7620 14.7583 5.5903 49.6907 39.8370 38.1773 407.5639 10.9825 67.7348 3.3288 6.3007 7.5714 5.6562 2.0491 2.5675 5.1675 2.0490 18.4046 2.7426 10.2966 4.7793 0.4023 2.3377 1.0189 0.6251 0.4599 2.6833 42.8449 24.4684 100.4576 0.6383 3.0245 0.9478 0.9903 3.4764 6.8160 1.2105 1.1228 1.5043 0.9064 3.8484 4.1269 1.6979 0.9651 0.6599 1.4057 1.4663 3.4381 0.5877 1.5568 0.3196 0.9469 1.1875 1.9591 1.0688 2.2496 1.3704 3.6841 4.4489 5.7555 5.9746 2.1443 2.6855 2.1756 1.4298 0.6495 0.4142 1.1441 1.3055 1.9184 1.9905 1.6688 1.4334 4.4056 0.3982 4.8771 6.2817 0.1711 6.4512 2.6831 6.4815 3.4299 4.4138 2.8243 4.3702 51.4764 1.8906 2.6691 0.7893 21.8168 3.6445 2.1268 3.4184 1.1057 1.3194 1.4878 9.0055 1.0282 3.1896 3.0203 6.5316 12.3568 4.2210 4.4061 8.9989 0.7890 0.2904 3.9712 3.2436 134.8354 22.6361 22.5936 1.4993 1.6189 0.7898 59.4263 3.6010 20.4244 6.1540 4.3963 1.1606 2.0455 3.1904 3.2443 4.1239 3.9570 48.5651 5.6674 8.8016 8.8049 35.4630 30.1193 25.0399 12.2226 1.7457 9.1056 2.9820 1.7863 27.2032 2.4776 10.3475 1.3319 1.1692 45.8238 4.8121 0.8162 8.9075 3.1528 3.5337 3.5141 10.0865 15.3799 14.1321 25.2768 3.0574 6.8053 44.8311 8.7041 1268.2564 122.6914 49.3552 5.8160 522.8451 230.6583 56.0015 158.1517 7.7031 91.6597 53.6404 41.8360 148.1637 58.4085 74.1545 33.2248 43.9895 72.7955 49.0841 54.6109 40.4917 113.9340 51.5506 91.9802 170.0309 56.5641 80.5813 79.8227 28.9794 54.5610 97.9194 0.7291 0.7402 0.7447 0.7500 0.7235 0.6712 0.7278 0.5817 0.6772 0.6692 0.7435 0.7374 0.7369 0.6985 0.5434 0.4001 0.3343 0.3885 0.6365 0.4989 0.5629 0.7458 0.7160 0.7205 0.7500 0.2295 0.7474 0.4282 0.3381 0.3686 0.1926 0.5716 0.7361 0.4824 0.3186 0.0730 0.5820 0.1780 0.4979 0.7497 0.1235 0.6756 0.6841 0.4426 0.7454 0.6153 0.6087 0.7372 0.6615 0.7470 0.3084 0.7352 0.4178 0.3071 0.6104 0.0831 0.5192 0.7004 0.5258 0.1222 0.7499 0.3072 0.4529 0.7496 0.4450 0.7222 0.3856 0.6156 0.3698 0.5242 0.7172 0.6978 0.3200 0.1580 0.3484 0.7410 0.7020 0.7210 0.7359 0.3165 0.5761 0.1409 0.5895 0.7479 0.6697 0.4841 0.5510 0.2742 0.6986 0.7175 0.2112 0.5716 0.5452 0.5255 0.2239 0.6912 0.6487 0.5765 0.5792 0.4639 0.6911 0.0878 0.5650 0.4772 0.5736 0.2378 0.7499 0.1176 0.5671 0.7166 0.4117 0.4256 0.7325 0.5172 0.3961 0.2676 0.7499 0.3900 0.4562 0.7473 0.7499 0.7174 0.7460 0.3063 0.7433 0.7329 0.4215 0.7441 0.2766 0.2740 0.2397 0.5125 0.3631 0.7423 0.3633 0.2258 0.6951 0.1493 0.0220 0.7126 0.0052 0.3093 0.2052 0.7500 0.7190 0.7499 0.5395 0.7220 0.5926 0.2047 0.7436 0.1907 0.2005 0.2678 0.5183 0.2035 0.2265 0.1658 0.1880 0.8433 0.8507 0.8537 0.8571 0.8396 0.8032 0.8424 0.7355 0.8075 0.8018 0.8529 0.8489 0.8485 0.8225 0.7041 0.5715 0.5011 0.5596 0.7779 0.6657 0.7204 0.8544 0.8345 0.8375 0.8571 0.3734 0.8555 0.5996 0.5053 0.5387 0.3230 0.7274 0.8480 0.6508 0.4832 0.1361 0.7358 0.3023 0.6648 0.8569 0.2198 0.8064 0.8124 0.6136 0.8541 0.7618 0.7567 0.8487 0.7962 0.8552 0.4714 0.8474 0.5894 0.4699 0.7581 0.1535 0.6835 0.8238 0.6892 0.2177 0.8571 0.4700 0.6234 0.8569 0.6159 0.8387 0.5566 0.7620 0.5400 0.6879 0.8353 0.8220 0.4849 0.2729 0.5167 0.8512 0.8249 0.8379 0.8478 0.4808 0.7310 0.2469 0.7418 0.8558 0.8022 0.6524 0.7105 0.4303 0.8225 0.8355 0.3487 0.7274 0.7056 0.6890 0.3659 0.8174 0.7869 0.7314 0.7336 0.6338 0.8173 0.1614 0.7220 0.6461 0.7291 0.3842 0.8571 0.2105 0.7238 0.8349 0.5833 0.5970 0.8456 0.6818 0.5674 0.4223 0.8571 0.5612 0.6266 0.8554 0.8571 0.8354 0.8545 0.4690 0.8527 0.8459 0.5931 0.8533 0.4334 0.4301 0.3868 0.6777 0.5327 0.8521 0.5330 0.3685 0.8201 0.2598 0.0430 0.8322 0.0103 0.4725 0.3406 0.8571 0.8366 0.8571 0.7009 0.8386 0.7442 0.3398 0.8530 0.3203 0.3340 0.4224 0.6827 0.3382 0.3694 0.2844 0.3165 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 6 7 1 6 6 7 6 6 6 6 6 6 6 6 7 6 16 7 6 8 6 6 6 6 8 6 6 6 6 6 6 17 17 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 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 31.97207 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 1.00783 8550.7097 53384.6679 59992.1399 0.99997 -0.00696 -0.00204 0.00697 0.99996 0.00627 0.00199 -0.00629 0.99998 1 0.01013 0.00162 0.00144 0.21106 0.03381 0.03008 11.48 15.14 20.82 27.02 40.28 44.83 53.73 79.26 94.70 126.36 143.52 149.85 165.55 192.33 248.44 254.74 278.12 297.96 319.05 338.33 345.80 391.06 423.23 442.47 471.31 479.35 492.46 507.53 515.81 528.96 561.59 570.44 614.47 648.76 672.35 693.39 695.65 725.59 735.44 755.98 771.14 837.79 866.60 879.55 886.62 909.97 940.97 945.39 1004.78 1006.09 1053.29 1066.87 1093.88 1114.60 1167.54 1177.46 1196.52 1209.71 1227.08 1242.29 1302.28 1316.01 1350.74 1355.53 1366.51 1387.79 1399.57 1442.01 1452.37 1468.67 1489.36 1492.01 1531.53 1554.63 1560.57 1582.52 1588.76 1599.44 1605.05 1616.48 1624.15 1647.52 1647.90 1653.81 1716.12 1720.51 1721.29 1743.62 1757.05 1774.92 1825.02 1827.63 1833.64 1858.97 1868.10 1876.23 1920.69 1948.12 1954.37 1961.61 1987.46 1988.57 1995.00 2023.09 2031.72 2064.32 2085.72 2102.74 2129.40 2165.13 2165.65 2193.53 2213.34 2215.45 2250.57 2267.85 2273.64 2294.15 2313.39 2334.13 2361.14 2362.86 2364.34 2369.42 2371.56 2383.02 2410.57 2444.10 2461.91 2516.53 2528.30 2563.48 2580.29 2617.15 2622.90 2916.83 4512.83 4522.06 4692.25 4713.18 4718.21 4754.12 4761.33 4807.54 4811.17 4836.98 4842.22 4843.69 4871.22 4875.38 4895.49 4908.95 4916.65 4928.48 4987.49 5013.69 5298.41 5511.32 5537.75 0.468125 0.495723 0.496667 0.402214 -2567.665880 -2567.638282 -2567.637338 -2567.731791 3.167969D-04 MUNgauss RevisionA2.1 retrievium 04-Feb-2021 DUDE C[NH+]1CCN(CC1)c2ccc(cc2)NC(=S)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl C08898244 RHF 6-31G(d) (6D,10F) C1 489.091878 |X|Y|Z| 167.342170 63.772888 26.263190 65.442968 27 6 7 8 22 4 1 |36.858105| |12.782158|53.358707| |9.373622|25.686463|0.500000| |7.664457|17.229500|0.259111|36.858105| |4.986430|10.452764|0.198711|12.530009|36.858105| |4.497664|9.103704|0.166946|7.853180|13.154741|53.358707| |4.985580|10.451335|0.198887|6.626152|7.949946|17.946827|36.858105| |7.664791|17.234774|0.259083|7.683051|6.635148|10.716816|12.522478|36.858105| |3.359007|6.080372|0.118405|5.117631|7.868328|18.037079|7.786295|5.098453|36.858105| |2.940476|4.990311|0.094877|4.278599|5.763665|10.702540|5.362811|4.105471|13.726568|36.858105| |2.430204|3.976146|0.077536|3.309120|4.233489|7.011043|4.026943|3.206538|7.930515|13.795891|36.858105| |2.256562|3.690875|0.074088|2.990774|3.844741|6.157880|3.766454|2.953356|6.865682|7.950128|13.737149|36.858105| |2.428351|4.069114|0.083716|3.234211|4.307514|6.944587|4.377621|3.265123|7.933898|6.889013|7.946409|13.773533|36.858105| |2.939274|5.182442|0.107032|4.122860|5.958067|10.484487|6.299430|4.235656|13.748626|7.947598|6.876717|7.937277|13.742129|36.858105| |1.931755|3.071360|0.061989|2.454170|3.007537|4.604973|2.956173|2.425783|4.541538|5.154932|7.831775|13.415250|7.848721|5.151455|53.358707| |1.785624|2.798713|0.056575|2.262888|2.726764|3.989247|2.550597|2.156324|3.733790|4.230906|5.918300|7.729644|5.546472|4.082877|19.022795|36.858105| |1.847582|2.892554|0.058377|2.407339|2.913696|4.070612|2.525943|2.168080|3.717398|4.225730|5.490571|6.162690|4.835595|3.899039|9.758414|11.575543|388.023441| |1.590756|2.454630|0.049730|1.951001|2.287371|3.335875|2.199451|1.894155|2.999175|3.322584|4.336767|5.277778|4.214212|3.263024|11.558408|13.842808|50.208861|53.358707| |1.448437|2.208212|0.044881|1.752456|2.020088|2.882484|1.917671|1.682387|2.508218|2.729170|3.366412|3.882011|3.316540|2.699915|7.219888|7.615093|41.602034|18.601130|36.858105| |1.431336|2.176711|0.044375|1.739614|2.001276|2.799819|1.853257|1.636798|2.406976|2.591898|3.118608|3.537246|3.106000|2.582246|6.137633|6.432597|43.347566|11.289213|16.090462|73.516695| |1.326043|2.001666|0.040646|1.568572|1.778784|2.552047|1.728651|1.532968|2.180682|2.357758|2.836436|3.186484|2.788314|2.328185|5.663162|5.108958|28.961534|10.844242|12.899398|14.565802|36.858105| |1.217008|1.820545|0.037014|1.421747|1.592282|2.262087|1.543444|1.385687|1.896649|2.031426|2.376448|2.610396|2.343081|2.009171|4.389957|3.819303|23.567896|7.021713|7.451888|11.440522|14.204170|36.858105| |1.158527|1.724602|0.035014|1.334784|1.482878|2.122508|1.464449|1.321042|1.766398|1.887415|2.185657|2.376902|2.149848|1.863188|3.929369|3.234285|19.730891|5.728156|5.186714|7.871156|8.605345|13.320366|36.858105| |1.217085|1.819350|0.036865|1.403294|1.565626|2.270604|1.570536|1.407209|1.906859|2.048246|2.401117|2.630021|2.352238|2.016556|4.436424|3.545171|20.565309|6.445961|5.322656|7.516126|8.733721|8.557458|14.125613|36.858105| |1.327670|2.003325|0.040580|1.555523|1.758728|2.563651|1.754368|1.552708|2.194213|2.378244|2.868228|3.216554|2.804393|2.339936|5.742430|4.728556|25.577361|9.657141|7.790355|9.616276|14.080649|8.615856|8.630701|14.102741|73.516695| |1.190315|1.772984|0.035872|1.354540|1.501000|2.196475|1.537755|1.382602|1.831774|1.959796|2.268831|2.459893|2.223472|1.929481|4.040458|3.060070|17.829378|5.227357|3.949146|5.789451|5.371522|5.160457|7.310662|12.931956|14.185696|36.858105| |1.248902|1.869014|0.037873|1.417935|1.577951|2.335446|1.649118|1.471051|1.959172|2.080398|2.411396|2.654806|2.420591|2.085409|4.364768|3.157384|17.914635|5.286714|3.734682|5.450969|4.670223|4.179639|5.126382|7.761176|12.189080|13.648934|36.858105| |1.212316|1.804341|0.036523|1.356248|1.495632|2.223265|1.589847|1.428194|1.842340|1.943430|2.208225|2.391837|2.215044|1.947458|3.783554|2.670355|15.557630|4.243016|2.961977|4.478735|3.496570|3.229770|3.850988|5.101024|8.198485|7.895492|13.838617|36.858105| |1.128442|1.665716|0.033646|1.251112|1.365927|2.017405|1.444385|1.313056|1.650439|1.744040|1.955706|2.076055|1.926571|1.722822|3.219251|2.306897|13.853400|3.609361|2.581137|3.991157|3.046353|2.934376|3.569280|4.455856|6.815663|6.793773|7.938714|13.777774|36.858105| |1.084753|1.596786|0.032222|1.206887|1.315040|1.925983|1.368102|1.249262|1.572262|1.671267|1.877428|1.978913|1.822840|1.631926|3.082437|2.267355|13.805949|3.588959|2.646770|4.114422|3.215465|3.216253|4.108110|5.018534|7.113325|7.884612|6.916374|8.008258|13.799671|36.858105| |1.110603|1.640883|0.033132|1.249678|1.369878|1.997327|1.405039|1.277416|1.642855|1.756015|1.997727|2.120222|1.932021|1.710257|3.373475|2.544242|15.380889|4.159227|3.157856|4.833603|4.062323|4.158733|5.804844|7.506599|9.292896|13.672355|7.976408|6.914631|7.924800|13.751241|36.858105| |1.043429|1.532673|0.030915|1.172828|1.277549|1.842356|1.289621|1.182721|1.502256|1.609352|1.815611|1.900276|1.732367|1.549955|2.983771|2.306096|14.455534|3.718265|2.933907|4.646966|3.747262|4.157629|5.852854|6.017049|7.697357|6.934742|4.740684|4.240903|4.795594|7.133941|10.954781|448.794386| |1.271408|1.897639|0.038506|1.409769|1.555219|2.337848|1.699201|1.518687|1.933487|2.007907|2.251488|2.457153|2.329937|2.062460|3.784860|2.563349|14.935273|3.908181|2.638387|4.051269|2.932135|2.662643|2.980643|3.705683|6.498488|4.754425|7.064079|10.947444|7.035915|4.780251|4.237935|24.539561|448.794386| |17.645302|12.309424|0.224131|5.584872|4.155608|5.379261|4.651105|7.074474|3.056294|2.672812|2.248883|2.117490|2.292494|2.748948|2.490268|1.685434|12.250643|2.061719|1.381670|2.420139|1.273175|1.171179|1.120111|1.178195|2.275760|1.157939|1.218948|1.189301|1.108055|1.061774|1.082546|8.146591|10.073010|0.500000| |17.645676|12.311470|0.224139|7.078219|4.651136|5.377908|4.155636|5.585573|3.059746|2.705928|2.273701|2.127467|2.285028|2.726640|2.502233|1.720435|12.808963|2.089454|1.408593|2.491882|1.287568|1.186500|1.126118|1.176635|2.277932|1.146078|1.196864|1.158578|1.080622|1.042817|1.070381|8.111129|9.701649|0.299131|0.500000| |17.650865|12.340299|0.181479|6.972996|4.621095|5.900898|4.618450|6.974681|3.278284|2.970348|2.444228|2.227210|2.347324|2.803059|2.602259|1.770017|13.028095|2.149521|1.437269|2.519235|1.319099|1.211081|1.155150|1.214785|2.352936|1.190106|1.246008|1.211362|1.131028|1.088821|1.113678|8.415118|10.168725|0.299165|0.299199|0.500000| |7.103237|12.415147|0.182076|17.633399|8.836705|9.622585|5.820831|6.998137|4.835491|4.363777|3.338546|2.918053|3.044183|3.763012|3.279973|2.228518|16.863690|2.623430|1.730959|3.044876|1.555412|1.410950|1.328241|1.398106|2.750092|1.352504|1.411713|1.352959|1.252940|1.210976|1.252542|9.460151|11.248165|0.144208|0.176361|0.213429|0.500000| |7.123321|12.351708|0.225614|17.620682|8.777182|7.677603|4.963832|5.610177|4.176236|3.606300|2.921543|2.691087|2.900152|3.567806|3.073942|2.122191|16.293924|2.507194|1.675480|2.984936|1.500002|1.368690|1.281645|1.337922|2.625842|1.286687|1.339504|1.279272|1.184280|1.147202|1.190007|9.018250|10.619607|0.145194|0.218090|0.173741|0.299530|0.500000| |4.144721|7.619387|0.145012|8.984881|17.624529|12.490387|5.724331|4.963916|7.403489|6.182666|4.582753|4.042002|4.321996|5.583212|4.307936|2.934158|23.185720|3.297972|2.143233|3.806220|1.865236|1.666570|1.539288|1.618168|3.246814|1.537760|1.603701|1.508598|1.379436|1.336615|1.401449|10.551093|12.447481|0.096810|0.111391|0.111066|0.216182|0.211111|0.500000| |4.585521|9.307161|0.207587|8.842218|17.419776|12.210648|7.057804|5.756636|6.728344|4.840003|3.837049|3.710729|4.374301|6.084801|4.012736|2.686657|20.374367|3.082176|2.012590|3.565659|1.769015|1.587017|1.474285|1.551228|3.095632|1.483527|1.562107|1.478104|1.346584|1.295187|1.350471|10.101087|12.371589|0.110314|0.123014|0.112786|0.173230|0.214768|0.302483|0.500000| |4.143799|7.617919|0.145144|4.955643|5.721799|12.502514|17.618757|8.981292|7.280772|5.402276|4.159422|3.887931|4.445335|6.088904|4.169514|2.587318|17.704373|3.064349|1.945693|3.302360|1.768864|1.573516|1.504119|1.627379|3.231472|1.607911|1.739815|1.688540|1.528808|1.437505|1.468375|10.734258|14.651916|0.111412|0.096802|0.110971|0.130404|0.108982|0.127938|0.143637|0.500000| |4.601006|9.348348|0.208930|5.764562|7.049782|12.182773|17.423178|8.871701|6.640097|4.567055|3.661523|3.623957|4.433461|6.434815|3.932256|2.502622|17.569555|2.953254|1.902176|3.281071|1.714025|1.533615|1.453082|1.554016|3.082596|1.519087|1.633118|1.572748|1.424795|1.347456|1.384505|10.187493|13.552778|0.123464|0.110658|0.113048|0.133444|0.129697|0.143451|0.207935|0.302106|0.500000| |7.130988|12.356077|0.225414|5.610077|4.964888|7.690050|8.775166|17.619285|4.156218|3.432530|2.803368|2.644323|2.936170|3.689577|3.022449|1.978210|13.990627|2.399073|1.575044|2.720254|1.448114|1.315298|1.261050|1.343359|2.617997|1.327619|1.416882|1.385039|1.276152|1.210097|1.230884|9.135266|11.909118|0.218228|0.145267|0.174026|0.143315|0.126628|0.109059|0.129377|0.211357|0.215386|0.500000| |7.094123|12.413699|0.182036|7.004068|5.839699|9.663796|8.833980|17.634733|4.826459|4.183755|3.235230|2.885431|3.073160|3.853828|3.245317|2.126544|15.219356|2.549211|1.663267|2.869018|1.520915|1.375782|1.315052|1.402664|2.746454|1.381466|1.465594|1.426112|1.316683|1.254952|1.281420|9.545528|12.124844|0.175972|0.144129|0.213164|0.210373|0.143319|0.130896|0.133513|0.215846|0.173516|0.299492|0.500000| |3.074177|5.108860|0.093965|4.474378|5.577427|9.928497|5.051844|4.186057|8.940751|17.732516|8.922021|5.648716|4.961543|5.658040|5.680242|3.615704|26.366244|4.005211|2.478713|4.212300|2.174484|1.898470|1.774839|1.915947|3.900634|1.842566|1.938763|1.825960|1.659002|1.597633|1.671662|12.410945|15.058225|0.076605|0.078145|0.088740|0.135143|0.103643|0.169439|0.123919|0.140521|0.115376|0.095929|0.125067|0.500000| |2.226679|3.545125|0.068696|2.943172|3.581263|5.689808|3.385038|2.829741|5.641362|8.919279|17.755565|8.939044|5.658698|4.956936|9.802102|6.018883|39.880403|6.176064|3.526307|5.747226|2.987024|2.494138|2.294953|2.528197|5.384618|2.379990|2.495197|2.273436|2.027322|1.964111|2.102328|15.430760|18.237839|0.057340|0.058189|0.062974|0.084260|0.073289|0.108874|0.090021|0.097472|0.085488|0.069524|0.080851|0.214422|0.500000| |2.225341|3.666054|0.076766|2.853911|3.666521|5.630064|3.767213|2.902199|5.645125|4.961188|5.651918|8.934818|17.726264|8.913925|9.807421|5.372802|32.233199|5.844916|3.425783|5.705235|2.887807|2.425967|2.221498|2.427209|5.148714|2.286559|2.508846|2.282464|1.967830|1.855149|1.970219|14.099590|19.393292|0.059047|0.058670|0.059304|0.074052|0.072607|0.101210|0.107158|0.106076|0.110219|0.074317|0.075217|0.107684|0.124444|0.500000| |3.057898|5.461467|0.117956|4.153568|5.867730|9.528250|6.627239|4.406571|8.877852|5.638588|4.953793|5.656799|8.952124|17.713128|5.694507|3.466387|23.776428|3.918219|2.447296|4.202208|2.138927|1.870737|1.742823|1.873892|3.814870|1.801041|1.948630|1.833686|1.628263|1.539368|1.605121|11.699983|15.717510|0.080524|0.079014|0.078959|0.101413|0.101231|0.143282|0.184579|0.169809|0.218058|0.109357|0.106264|0.124108|0.107590|0.216259|0.500000| |1.840353|2.907444|0.058997|2.274625|2.742292|4.227382|2.815875|2.318135|4.047055|4.386752|6.039163|9.252824|6.982955|4.705025|25.998250|9.423311|38.447771|11.013951|5.162098|7.542354|4.300870|3.308208|3.029038|3.515765|8.169129|3.260249|3.655853|3.143311|2.603196|2.449098|2.669138|18.461692|25.705081|0.048905|0.048526|0.050468|0.061856|0.058206|0.078397|0.075407|0.082359|0.077309|0.059796|0.063051|0.101003|0.155822|0.197858|0.110497|0.500000| |1.563810|2.406587|0.048648|1.891100|2.200516|3.262263|2.182138|1.879452|2.924006|3.242063|4.216468|5.079244|4.072487|3.172296|11.064992|9.414255|38.269647|26.007008|9.417426|10.853722|7.862042|5.068839|4.446187|5.424321|15.561830|4.511038|4.729239|3.679651|3.038248|2.978049|3.459944|23.839624|26.930272|0.041574|0.041694|0.043224|0.052077|0.049310|0.063941|0.060259|0.062933|0.059620|0.048847|0.051788|0.080109|0.123331|0.115238|0.077919|0.250436|0.500000| |1.186209|1.769353|0.036031|1.386173|1.547489|2.174701|1.480753|1.336167|1.809514|1.928508|2.229574|2.431158|2.205723|1.911782|3.994249|3.508714|22.878514|6.094277|6.492503|11.666304|8.855730|17.816753|8.458655|5.833511|10.450059|4.041194|3.396011|2.743113|2.538066|2.772276|3.457703|28.917470|18.659250|0.031667|0.032268|0.032756|0.038164|0.037288|0.045157|0.042967|0.041645|0.040954|0.035218|0.036807|0.050274|0.064733|0.063400|0.049712|0.082052|0.116992|0.500000| |1.087954|1.610296|0.032708|1.242147|1.369356|1.952097|1.354041|1.230469|1.607440|1.708285|1.949241|2.097723|1.920480|1.687992|3.382687|2.741739|17.198640|4.639939|4.071368|6.514400|5.866177|8.506565|17.847700|8.806621|10.456694|6.283705|4.464730|3.563311|3.459867|4.123519|5.773881|53.633310|22.189300|0.029280|0.029426|0.030146|0.034359|0.033232|0.039392|0.037846|0.038585|0.037354|0.032741|0.034047|0.044929|0.056679|0.055051|0.044167|0.072095|0.098961|0.193926|0.500000| |1.322411|1.994247|0.040525|1.514951|1.703138|2.530664|1.782943|1.572597|2.150478|2.273520|2.669954|3.023423|2.757017|2.325395|5.114001|3.643193|19.917722|6.229590|4.237596|6.034028|5.155335|4.324729|4.921179|7.242079|13.736417|8.919342|17.784380|8.979365|5.660711|4.979898|5.666718|31.337689|54.207787|0.035813|0.035168|0.036521|0.041702|0.039661|0.048046|0.047013|0.052286|0.049248|0.041977|0.043304|0.058044|0.075857|0.080481|0.060162|0.123499|0.160894|0.097344|0.115078|0.500000| |1.099480|1.616287|0.032636|1.207139|1.310012|1.936709|1.396990|1.276964|1.571296|1.651996|1.829894|1.927951|1.806041|1.634037|2.934011|2.083275|12.671943|3.189219|2.267700|3.557654|2.606562|2.518460|2.977104|3.562141|5.635344|4.913754|5.648366|8.906667|17.756696|8.919935|5.640566|31.825325|53.564654|0.030090|0.029212|0.030635|0.033610|0.031734|0.036591|0.035857|0.041178|0.038273|0.034631|0.035609|0.043858|0.052464|0.051114|0.043119|0.065564|0.073599|0.061704|0.081117|0.124479|0.500000| |1.030164|1.508433|0.030411|1.138645|1.232638|1.798376|1.279947|1.177222|1.455901|1.545648|1.719214|1.794023|1.659981|1.501781|2.754374|2.031609|12.605548|3.163491|2.347520|3.715294|2.799418|2.850529|3.566713|4.087256|5.937622|5.634856|4.977761|5.677851|8.942341|17.758209|8.957621|55.245595|31.613400|0.028037|0.027545|0.028769|0.031798|0.030134|0.034795|0.033690|0.037285|0.034982|0.031734|0.032916|0.041325|0.049997|0.046747|0.039480|0.060086|0.071628|0.069881|0.102620|0.108035|0.214928|0.500000| 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