Version2.4 2021-05-21T11:06:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 11-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc2c(cc1Br)sc(n2)N(CCC[NH+]3CCOCC3)C(=O)C4=COCCO4 C09401004 RHF 6-31G(d) (6D,7F) c1cc2c(cc1Br)sc(n2)N(CCC[NH+]3CCOCC3)C(=O)C4=COCCO4 C01[X(C19H23Br1N3O4S1)] 147 C1 485 Brc1ccc2c(c1)sc(n2)N(C(=O)C1=COCCO1)CCC[NH+]1CCOCC1 Brc1ccc2c(c1)sc(n2)N(C(=O)C1=COCCO1)CCC[NH+]1CCOCC1 Brc1ccc2nc(sc2c1)N(CCC[NH+]3CCOCC3)C(=O)C4=COCCO4 InChIKey=NEDAJPXNFDIJSR-UHFFFAOYSA-O InChI=1S/C19H22BrN3O4S/c20-14-2-3-15-17(12-14)28-19(21-15)23(18(24)16-13-26-10-11-27-16)5-1-4-22-6-8-25-9-7-22/h2-3,12-13H,1,4-11H2/p+1 InChI=1/C19H22BrN3O4S/c20-14-2-3-15-17(12-14)28-19(21-15)23(18(24)16-13-26-10-11-27-16)5-1-4-22-6-8-25-9-7-22/h2-3,12-13H,1,4-11H2/p+1/fC19H23BrN3O4S/h22H/q+1 c1cc2c(cc1Br)sc(n2)N(CCC[NH+]3CCOCC3)C(=O)C4=COCCO4 C01[X(C19H23Br1N3O4S1)] 147 C01 485 Brc1ccc2c(c1)sc(n2)N(C(=O)C1=COCCO1)CCC[NH+]1CCOCC1 O=C(N([C]1=N[C]2[C]([CH][C]([CH][CH]2)Br)S1)CCC[NH]1CCOCC1)C1=COCCO1 Br[C]1[CH][CH][C]2N=C(S[C]2[CH]1)N(CCC[NH]3CCOCC3)C(=O)C4=COCCO4 InChIKey=DBLITIOCXJOZRC-UHFFFAOYSA-N InChI=1S/C19H23BrN3O4S/c20-14-2-3-15-17(12-14)28-19(21-15)23(18(24)16-13-26-10-11-27-16)5-1-4-22-6-8-25-9-7-22/h2-3,12-13,22H,1,4-11H2 InChI=1/C19H23BrN3O4S/c20-14-2-3-15-17(12-14)28-19(21-15)23(18(24)16-13-26-10-11-27-16)5-1-4-22-6-8-25-9-7-22/h2-3,12-13,22H,1,4-11H2 3256.4857108998 -4162.8324912 1-A 19382.0285 120 365 485 |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| -490.13185 -92.07169 -64.54329 -58.68283 -58.68091 -58.68078 -20.71994 -20.69178 -20.68338 -20.65267 -15.86166 -15.73213 -15.66684 -11.47593 -11.45811 -11.44990 -11.44691 -11.44290 -11.43890 -11.43792 -11.40268 -11.39849 -11.39417 -11.38441 -11.37689 -11.37614 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366.7156 391.9154 410.9555 432.8596 443.8210 462.5936 488.8916 492.6933 510.1575 524.7055 531.7938 551.2288 574.0217 595.4525 628.0804 638.3899 661.7896 682.3982 705.0360 731.3998 737.5193 814.4007 823.6544 827.9653 842.2704 855.0328 873.5202 908.7823 924.3741 933.1839 954.5562 967.1900 972.6307 979.6444 987.5024 1013.5004 1028.1650 1044.0945 1050.3907 1090.6522 1095.7636 1103.7752 1111.9121 1130.2405 1149.9641 1155.2611 1164.8469 1168.8481 1187.3528 1201.7873 1221.6175 1231.9977 1234.6784 1241.4784 1269.1905 1303.7007 1313.7593 1316.6366 1321.5194 1322.7050 1360.9932 1375.9526 1389.6204 1410.1322 1418.7861 1421.5895 1428.9812 1434.8993 1442.8179 1459.3438 1463.6384 1478.3059 1488.3086 1504.2066 1523.3101 1534.3032 1541.4640 1555.0288 1560.6382 1563.3098 1570.8695 1580.1772 1587.5139 1588.0739 1596.0786 1622.8498 1628.8517 1637.7031 1640.9851 1646.9678 1648.5669 1653.7926 1655.5655 1660.4713 1663.1955 1710.9938 1755.6754 1795.2889 1899.4937 1995.1974 3190.5627 3199.6132 3213.2696 3231.1253 3254.7372 3268.0603 3276.3873 3279.7396 3294.5483 3318.4462 3326.5675 3328.8157 3329.6178 3333.7347 3341.8432 3358.0506 3365.0761 3366.3295 3373.5715 3407.7395 3409.7029 3440.2808 3679.9055 6.5903 8.4143 2.9475 6.1039 4.8783 4.9488 9.3104 7.3995 4.1013 5.0435 5.1790 3.5317 4.3935 6.2118 4.6055 6.7926 6.2846 5.4037 4.3302 1.8196 3.7580 3.3611 3.9554 5.4128 5.6247 2.6694 2.4587 5.1343 4.5003 7.7087 3.6100 3.2710 2.9524 2.8583 4.4645 5.5815 7.5306 3.2177 3.5617 3.7096 2.2688 5.4233 7.3474 5.0317 6.4883 2.0158 3.7120 4.1846 6.6855 4.1343 2.7473 1.7162 2.9231 1.4848 3.5955 1.8305 2.8601 1.6064 2.2404 2.5971 1.4204 3.2560 3.3073 3.1150 1.3581 2.4874 3.0596 2.8027 1.5822 3.2090 2.0089 2.0206 2.7257 5.7499 2.5994 2.4006 1.9933 2.7008 2.2001 2.7816 2.7123 2.6531 5.3873 1.3377 1.4538 2.1528 1.3292 1.2760 1.3545 1.5234 1.9026 1.4770 2.4312 1.1512 1.2685 1.2003 1.4337 1.2639 1.2266 2.0731 1.3211 2.9033 1.4794 1.3070 1.7011 1.3110 1.2776 1.3885 1.4053 1.0910 2.6100 1.0908 1.1129 1.0910 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1.6929 4.0800 1.7237 1.7656 1.7436 1.7664 1.7956 1.7891 1.7889 1.8035 11.9193 13.1571 12.0386 16.3855 30.4284 6.4364 6.4749 6.5288 6.5850 6.6458 6.7039 6.7599 6.7434 6.7990 7.0861 7.1356 7.1561 7.1778 7.2444 7.3172 7.3468 7.3688 7.3617 7.3159 7.4867 7.5030 7.6325 8.6004 1.5217 0.4326 0.5081 0.5352 1.8458 1.0606 0.1468 2.2205 11.3691 1.9441 5.2193 3.4203 4.1033 5.6770 0.9051 2.1336 1.8720 3.1665 6.9587 0.2594 6.0446 1.8375 3.2959 5.2755 7.0592 10.3400 5.4424 1.7972 17.9678 0.5556 4.9601 2.7224 9.3983 1.2063 1.6980 1.6943 0.3691 5.7080 5.7746 6.8000 8.1637 7.2807 0.7312 7.7551 4.4112 2.6293 26.3145 1.2605 69.6378 54.7193 15.3043 3.0449 21.4269 36.0603 4.3341 9.3536 12.6930 42.3299 8.3224 50.0719 12.0184 32.7392 77.2693 62.1672 0.2220 44.9036 10.4129 23.6933 7.7082 104.9830 22.1534 3.1064 41.6716 33.4118 43.9307 14.3232 1.4812 19.3383 218.5953 1.5621 73.3848 49.1379 416.0923 33.3609 19.5935 17.8303 114.7178 41.7514 77.0692 22.1878 119.2972 50.4885 170.3120 15.9943 20.2929 23.4322 70.5357 7.7180 3.9532 101.5655 2.7365 79.9292 20.4254 21.3831 34.1737 56.0511 23.1727 48.7238 11.9261 0.5834 152.9309 47.1702 25.5694 5.1633 6.2683 9.8796 2.0726 21.9244 4.0827 314.6117 8.6979 39.9913 202.0907 349.6400 8.9993 59.8919 28.2390 36.7768 36.0697 1.1364 5.8900 15.4862 1.1289 7.4301 12.5440 3.8938 30.3668 23.7643 3.8372 1.7447 8.3209 6.5304 20.5054 0.1770 3.9055 16.6348 34.1577 0.4998 0.6739 0.3750 2.5748 3.0101 0.7989 1.2607 0.3991 0.0996 0.6794 1.1117 0.5646 1.1033 0.8831 0.5929 2.5789 0.9909 1.5251 0.9507 0.1556 0.6200 1.8485 0.9878 2.1238 1.3486 0.8206 0.3283 1.2396 2.0656 2.1920 4.1057 2.1182 0.7756 2.0167 1.6148 0.6405 8.4134 2.7058 1.5392 0.8657 0.8925 5.7480 4.3237 10.9219 0.9478 1.2426 4.2854 1.3987 5.1485 8.3288 3.8939 3.1063 6.0315 1.4777 10.8386 2.2067 5.7322 4.7076 1.1647 5.7677 0.8701 2.0178 1.9183 10.4479 0.5525 9.7184 7.2350 2.0996 1.8934 6.0355 3.6082 8.4949 8.0816 2.5815 4.2056 1.6421 1.9583 1.9748 3.3380 51.1893 5.9623 3.6958 6.9745 2.6958 5.4881 47.0388 5.9674 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12.00000 12.00000 15.99491 12.00000 12.00000 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 13464.0614 24506.6768 36456.1516 0.99964 0.02684 0.00278 -0.02685 0.99964 0.00139 -0.00274 -0.00146 1.00000 1 0.00643 0.00353 0.00238 0.13404 0.07364 0.04950 19.06 30.29 34.06 51.24 62.09 65.10 87.64 103.94 118.01 162.81 191.01 214.89 238.66 253.89 296.37 313.47 325.55 336.68 362.25 369.27 404.69 447.46 476.87 494.94 527.62 563.88 591.27 622.79 638.56 665.57 703.41 708.88 734.00 754.93 765.13 793.10 825.89 856.72 903.67 918.50 952.17 981.82 1014.39 1052.32 1061.13 1171.74 1185.05 1191.26 1211.84 1230.20 1256.80 1307.54 1329.97 1342.64 1373.39 1391.57 1399.40 1409.49 1420.80 1458.20 1479.30 1502.22 1511.28 1569.21 1576.56 1588.09 1599.79 1626.16 1654.54 1662.16 1675.95 1681.71 1708.34 1729.10 1757.64 1772.57 1776.43 1786.21 1826.08 1875.73 1890.21 1894.35 1901.37 1903.08 1958.17 1979.69 1999.35 2028.87 2041.32 2045.35 2055.99 2064.50 2075.89 2099.67 2105.85 2126.95 2141.34 2164.22 2191.70 2207.52 2217.82 2237.34 2245.41 2249.25 2260.13 2273.52 2284.08 2284.88 2296.40 2334.92 2343.55 2356.29 2361.01 2369.62 2371.92 2379.44 2381.99 2389.05 2392.97 2461.74 2526.03 2583.02 2732.95 2870.64 4590.51 4603.53 4623.18 4648.87 4682.84 4702.01 4713.99 4718.81 4740.12 4774.50 4786.19 4789.42 4790.58 4796.50 4808.17 4831.49 4841.59 4843.40 4853.82 4902.98 4905.80 4949.80 5294.56 0.448748 0.472767 0.473711 0.389850 -4162.383743 -4162.359724 -4162.358780 -4162.442641 2.812712D-04 MUNgauss RevisionA2.1 retrievium 21-May-2021 DUDE c1cc2c(cc1Br)sc(n2)N(CCC[NH+]3CCOCC3)C(=O)C4=COCCO4 C09401004 RHF 6-31G(d) (6D,10F) C1 468.059264 |X|Y|Z| 83.321268 108.911405 24.052564 60.209295 26 6 7 8 16 19 3 3 1 |36.858105| |13.836051|36.858105| |7.978384|13.687426|36.858105| |6.925335|7.926045|13.729715|36.858105| |7.870711|6.781795|7.854754|13.722954|36.858105| |13.653752|7.929507|6.912255|8.057393|13.834997|36.858105| |6.697483|4.603223|4.098010|4.623010|6.720990|10.064541|2539.412838| |4.250733|4.877067|7.405930|10.901576|6.736277|4.706319|114.499947|388.023441| |4.164597|5.396582|8.662151|7.834804|4.992492|4.074309|99.505883|77.194486|36.858105| |5.154325|7.713269|13.735602|8.148880|5.234635|4.604084|107.497761|52.313602|14.898922|53.358707| |3.227215|4.000572|5.418898|4.999555|3.673549|3.139903|81.990562|48.640833|13.673491|11.224319|53.358707| |3.009948|3.787405|4.706650|4.016090|3.110124|2.809002|74.768498|33.222023|7.905496|9.725590|17.722232|36.858105| |3.000210|3.798125|4.452095|3.674703|2.927810|2.729380|73.227275|28.055599|6.071507|8.698906|10.306320|12.324567|36.858105| |3.129858|4.031191|4.343583|3.420739|2.806609|2.729202|73.562603|24.056881|4.862674|7.923601|7.097869|7.573723|12.505841|36.858105| |2.907645|3.603531|3.660901|2.963649|2.530380|2.521473|69.782971|20.300166|3.766928|6.019656|5.304588|4.909256|7.531758|12.632167|53.358707| |2.564599|3.093037|3.203870|2.688655|2.312865|2.278599|64.110812|18.971811|3.456487|5.241121|5.060558|4.670088|7.256126|9.293897|25.682024|0.500000| |3.273969|4.050118|3.999752|3.216135|2.773531|2.802809|76.961023|21.210336|3.808026|6.222213|5.048801|4.226781|6.073648|7.567916|17.212695|0.258286|36.858105| |2.793552|3.249155|3.119568|2.631484|2.364033|2.427635|69.585284|17.382556|2.936940|4.593078|3.923400|3.196818|4.221865|4.952826|10.457057|0.197345|12.517765|36.858105| |2.642717|3.033199|2.831894|2.389154|2.177468|2.272104|66.178529|15.644232|2.615208|4.108131|3.488640|2.879249|3.628023|4.504102|9.150975|0.166948|7.948199|13.685080|73.516695| |2.425376|2.807930|2.678541|2.263631|2.042849|2.104738|61.281518|15.148433|2.572982|3.997531|3.525760|3.017299|3.809089|4.973296|10.446827|0.197314|6.712354|8.214378|24.339164|36.858105| |2.694040|3.243119|3.140014|2.576667|2.267369|2.313166|65.599923|17.311206|3.067601|4.882607|4.238346|3.816023|4.957441|7.658187|17.234298|0.258803|7.721013|6.726406|14.152280|12.518718|36.858105| |2.731846|3.201341|4.126454|4.174442|3.257040|2.752992|74.790438|43.767996|7.863701|7.237314|18.557059|7.583267|5.277362|3.886492|4.249320|0.085427|2.992365|2.445946|3.898534|2.219307|2.583773|36.858105| |2.727002|3.101307|4.004929|4.370977|3.467470|2.842670|77.890200|50.691918|6.965468|6.472461|11.497797|5.354010|4.072228|3.226657|3.648314|0.072813|2.632257|2.197811|3.530796|1.988594|2.275980|16.037245|73.516695| |2.287756|2.635104|3.202482|3.172682|2.608964|2.282049|64.105473|29.725854|5.062192|5.415245|10.430315|6.399494|4.928035|3.615639|4.071727|0.084937|2.796396|2.343307|3.743950|2.163845|2.490011|12.756679|14.547936|36.858105| |2.183419|2.514484|2.984234|2.894476|2.414245|2.152148|60.941107|25.614793|4.406286|5.014028|8.505011|5.912933|5.326007|3.772628|4.394683|0.094847|3.009021|2.539212|3.991819|2.311696|2.631035|7.673057|9.927319|14.387199|36.858105| |1.897066|2.144749|2.470105|2.408204|2.069262|1.872195|54.247889|20.569512|3.362855|3.996697|5.924228|4.335772|4.137825|3.171934|3.861882|0.084995|2.636535|2.308071|3.668853|2.139478|2.380243|5.113150|7.461062|8.112201|14.198840|73.516695| |1.749880|1.948530|2.234670|2.224602|1.939633|1.748338|51.338245|19.171215|2.989241|3.530727|5.095985|3.610813|3.297799|2.655728|3.237361|0.069929|2.228891|1.978116|3.196953|1.860363|2.055299|4.627215|7.254258|7.141602|8.254162|23.905815|36.858105| |1.802319|2.013896|2.326630|2.319679|2.009499|1.802467|52.671270|20.281645|3.176566|3.702409|5.515374|3.908707|3.320333|2.708072|3.202291|0.067917|2.175558|1.908855|3.126297|1.831363|2.056541|5.216937|8.204607|8.238359|7.149220|14.125454|12.561001|36.858105| |2.045649|2.306310|2.741079|2.767047|2.343892|2.060739|59.162056|25.470153|4.005275|4.437301|7.292980|4.742080|3.750133|2.977985|3.425200|0.071296|2.349877|2.019208|3.286711|1.908088|2.170294|8.039367|12.349306|14.108323|8.104639|12.092963|7.942331|13.509122|73.516695| |17.758406|8.938822|5.658884|4.982622|5.634163|8.912355|221.202464|24.393790|3.422832|5.648913|3.781468|2.662000|2.696416|2.879257|3.743683|0.067438|3.100199|2.731853|4.701492|2.407191|2.625664|2.386890|4.213790|2.047055|1.972728|3.089815|1.607201|1.649912|3.284325|0.500000| |8.930413|17.721788|8.876075|5.635187|4.904952|5.635813|130.242825|28.740078|4.785986|9.437034|5.159795|3.824681|3.988677|4.559410|5.631233|0.095411|4.645460|3.666258|6.230524|3.236946|3.815755|3.009723|5.059716|2.544053|2.463728|3.764799|1.909794|1.969825|3.957222|0.214730|0.500000| |5.613991|4.907538|5.599393|8.841237|17.756778|8.921876|220.087331|44.091334|4.304440|5.771835|4.530751|2.795558|2.612902|2.472248|3.058021|0.057900|2.439507|2.118673|3.475909|1.843145|2.023847|3.089581|6.028368|2.501088|2.302811|3.543713|1.894159|1.961202|4.061431|0.124073|0.106760|0.500000| |2.582640|3.130703|3.751506|3.354031|2.696565|2.446005|67.048664|28.177704|5.802804|6.989660|12.549410|17.715795|8.790474|6.039241|5.809309|0.118306|3.609577|2.864165|4.651137|2.790040|3.457043|7.445149|9.211914|7.581868|6.897838|9.005214|4.193809|4.718962|10.041316|0.064465|0.087859|0.068836|0.500000| |3.212439|4.119637|5.036566|4.134325|3.207179|2.941145|77.616638|32.308845|7.485621|10.414950|12.584866|17.622028|8.779456|7.667027|6.512139|0.120764|4.065904|3.092505|5.108795|3.036365|3.934877|5.996188|8.372754|4.973419|4.488468|6.281534|3.080875|3.401833|7.212941|0.078975|0.117688|0.079041|0.304140|0.500000| |3.259868|4.150531|4.986060|4.111787|3.228041|2.980391|78.804509|31.149129|6.742077|9.693955|10.380807|8.869849|17.652179|8.851709|9.345259|0.181152|6.748967|4.531120|6.569345|3.670011|4.514337|5.307817|7.477013|4.735977|5.171979|7.087765|3.186493|3.127293|6.349203|0.080303|0.118171|0.079469|0.181377|0.187866|0.500000| |2.573734|3.134115|3.572705|3.087806|2.540651|2.377445|65.634187|23.943675|4.724402|6.428260|8.208600|8.766293|17.526801|8.856124|9.326975|0.214944|5.371875|4.051715|6.191958|3.743743|4.677966|4.822090|6.642146|5.029110|5.983474|8.543434|3.640629|3.548700|6.819574|0.065282|0.090997|0.064236|0.229945|0.179604|0.302178|0.500000| |2.778062|3.468237|3.685923|3.002024|2.512504|2.449756|67.464323|21.429560|4.161843|6.452735|6.264958|6.855008|8.820797|17.606474|12.433910|0.218234|5.596599|4.182079|7.199519|4.766542|7.480710|3.606073|5.351982|3.467259|3.582071|5.498656|2.625452|2.722741|5.225996|0.071968|0.108236|0.062293|0.169534|0.205842|0.173436|0.212755|0.500000| |3.723349|5.070504|5.347419|3.934888|3.182760|3.137573|82.232593|26.253027|5.388100|9.887604|7.125206|6.954201|8.855778|17.664807|12.373851|0.181857|7.165907|4.690708|7.775994|4.594164|6.823635|3.809275|5.779775|3.373290|3.385120|5.045775|2.439983|2.520867|5.014730|0.094166|0.167356|0.076115|0.147618|0.221398|0.211927|0.173724|0.300509|0.500000| |3.922145|5.040769|4.692442|3.597321|3.102835|3.213860|86.207539|22.535786|4.031904|7.015650|5.062589|4.140982|5.483350|7.079754|12.410552|0.181848|17.636473|8.823899|12.610385|5.864581|6.995007|2.957870|4.699770|2.683373|2.800017|4.329768|2.098561|2.081284|4.047037|0.103392|0.170977|0.074208|0.096253|0.115606|0.168721|0.127863|0.147226|0.222264|0.500000| |3.271159|4.032347|4.204514|3.449390|2.924821|2.878958|78.370231|23.350494|4.229555|6.686967|5.655384|4.564200|6.817312|6.939523|12.277723|0.224716|17.665203|8.807043|10.163093|5.016810|5.615771|3.337306|5.171063|3.107628|3.407291|5.215318|2.437784|2.344771|4.539050|0.084083|0.121649|0.071780|0.107065|0.115908|0.243119|0.167517|0.141399|0.177873|0.300600|0.500000| |2.899525|3.291238|3.105081|2.654776|2.428394|2.523288|73.019528|17.224434|2.824328|4.403576|3.687246|2.897710|3.676660|4.108651|7.604564|0.144031|8.926483|17.644291|16.894477|5.892744|5.017226|2.324049|3.772068|2.204374|2.369825|3.834273|1.868035|1.798406|3.395429|0.079490|0.101632|0.060509|0.072030|0.077978|0.112978|0.096977|0.097125|0.112741|0.215203|0.210221|0.500000| |2.458344|2.821170|2.784698|2.408074|2.164629|2.188834|63.515718|16.371065|2.747846|4.153988|3.775578|3.082072|4.093336|4.541110|9.311218|0.205903|8.816058|17.492055|16.538348|7.318631|5.851731|2.401063|3.817476|2.356243|2.608698|4.287664|2.047250|1.946086|3.610535|0.066392|0.086125|0.054615|0.078482|0.081071|0.120809|0.115211|0.109680|0.113882|0.172957|0.213935|0.301406|0.500000| |2.287008|2.601779|2.447637|2.087543|1.909276|1.984900|58.650154|13.894912|2.318976|3.586294|3.158263|2.674996|3.226185|4.129824|7.599396|0.144033|5.009518|5.891544|16.892419|17.643811|8.919384|2.011928|3.239105|1.960947|2.070252|3.433929|1.704640|1.690137|3.119252|0.063944|0.083371|0.048043|0.069444|0.076001|0.085921|0.087827|0.114324|0.109793|0.131414|0.109976|0.132136|0.148271|0.500000| |2.187550|2.507772|2.446953|2.107322|1.901784|1.935338|56.796994|14.403321|2.433079|3.683099|3.405443|2.914662|3.701401|4.558104|9.304969|0.205899|5.841799|7.316711|16.536094|17.492342|8.818964|2.178409|3.456702|2.167822|2.355624|3.937505|1.913013|1.861266|3.402696|0.059886|0.078289|0.048131|0.076436|0.079714|0.098579|0.105778|0.123677|0.112020|0.134480|0.131302|0.148268|0.219492|0.301377|0.500000| |2.433371|2.895287|2.857891|2.387911|2.102567|2.123945|60.791272|16.398496|2.899631|4.490027|4.117325|3.799910|4.748138|7.085744|12.323718|0.225842|5.619567|5.021758|10.157374|8.782784|17.623038|2.547633|3.970786|2.501467|2.639993|4.296700|2.094668|2.112702|3.918349|0.065708|0.092599|0.052617|0.099009|0.109727|0.114463|0.129489|0.230268|0.167073|0.142939|0.126344|0.110055|0.131439|0.209356|0.213599|0.500000| |3.006044|3.666727|3.422191|2.745354|2.424520|2.515857|70.751367|17.920561|3.164358|5.206990|4.228409|3.741801|4.600515|7.149325|12.413579|0.181974|6.997264|5.877579|12.639705|8.832375|17.627092|2.552241|4.044581|2.402304|2.480236|3.953472|1.947806|1.973234|3.746759|0.082181|0.125069|0.059457|0.092348|0.111550|0.118471|0.114763|0.190717|0.208774|0.208997|0.142881|0.131666|0.134688|0.215291|0.173054|0.299891|0.500000| |2.337136|2.725122|3.237515|3.074447|2.541029|2.278469|63.856155|26.530488|4.747548|5.529982|8.995821|6.424344|6.583938|4.337598|5.108654|0.111653|3.539698|2.928334|4.488990|2.577775|2.938775|6.912761|9.033543|9.043551|17.794800|16.731085|5.868482|5.107720|10.165287|0.058537|0.074589|0.066503|0.189355|0.130802|0.187140|0.213217|0.109918|0.105814|0.089554|0.115252|0.075492|0.084087|0.063091|0.073120|0.080579|0.076106|0.500000| |1.604434|1.775132|2.002985|1.983508|1.751720|1.597129|47.410832|16.658672|2.582869|3.126416|4.278456|3.125318|2.934722|2.434946|3.024411|0.065847|2.073274|1.870974|3.047513|1.783180|1.949083|3.694063|5.902120|5.174063|5.975291|16.823584|17.651449|8.817281|10.137709|0.041273|0.048663|0.047555|0.100104|0.075714|0.078295|0.090932|0.067654|0.061946|0.054024|0.062341|0.049021|0.054181|0.045617|0.051337|0.055563|0.051064|0.131435|0.500000| |1.741573|1.921036|2.209894|2.241038|1.967692|1.760187|51.955686|19.540343|2.936597|3.436057|4.870777|3.300115|3.035203|2.460037|3.029354|0.064902|2.132326|1.901750|3.060019|1.758358|1.925223|4.518047|7.458313|6.462284|7.056232|16.566871|17.582280|8.865469|12.686431|0.044337|0.051797|0.053917|0.102193|0.078918|0.083877|0.090876|0.066586|0.063710|0.056103|0.065220|0.050454|0.054514|0.044821|0.050020|0.053908|0.051017|0.148938|0.299585|0.500000| |1.779128|2.000012|2.287759|2.238104|1.938253|1.758505|51.346642|19.095701|3.077645|3.670509|5.360306|4.061320|3.441028|2.846842|3.339714|0.071176|2.217729|1.945308|3.214288|1.909120|2.161636|4.733678|7.234169|7.008518|6.444599|12.702708|8.875942|17.552084|16.563727|0.045464|0.054973|0.052097|0.142457|0.099294|0.087199|0.103784|0.081435|0.072735|0.058745|0.065588|0.050421|0.055158|0.049036|0.054053|0.062590|0.057336|0.134564|0.213544|0.173756|0.500000| |1.683463|1.857238|2.127507|2.148248|1.889615|1.696749|50.204038|18.657021|2.817246|3.311590|4.683828|3.278360|2.815337|2.367077|2.833738|0.059707|1.943253|1.724868|2.846563|1.661903|1.849471|4.356785|7.339983|5.969486|5.179853|10.136016|8.822600|17.650358|16.875403|0.042974|0.050280|0.051738|0.106162|0.081868|0.074474|0.082214|0.066260|0.062079|0.052047|0.057750|0.045450|0.048713|0.042951|0.046813|0.052733|0.049629|0.111450|0.207809|0.213006|0.299875|0.500000| 4160.785109 -16380.424752 5072.543584 -274.437025 -7421.533084 3256.485945 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