Version2.1 2021-01-27T05:45:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 18-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc2=[NH+]CC(=c2c1)CCNC(=O)CN3c4ccc(cc4C[C@@H]3c5cccs5)Cl C64622779 RHF 6-31G(d) (6D,7F) COc1ccc2=[NH+]CC(=c2c1)CCNC(=O)CN3c4ccc(cc4C[C@@H]3c5cccs5)Cl C01[X(C25H25Cl1N3O2S1)] 165 C1 538 COc1ccc2=[NH+]CC(=c2c1)CCNC(=O)CN1[C@H](Cc2c1ccc(c2)Cl)c1cccs1 COc1ccc2=[NH+]CC(=c2c1)CCNC(=O)CN1[C@H](Cc2c1ccc(c2)Cl)c1cccs1 COC1=CC2=C(CCNC(=O)CN3[C@H](Cc4cc(Cl)ccc34)c5sccc5)C[NH+]=C2C=C1 InChIKey=ZLIVSPBQBOKQJP-HSZRJFAPSA-O InChI=1S/C25H24ClN3O2S/c1-31-19-5-6-21-20(13-19)16(14-28-21)8-9-27-25(30)15-29-22-7-4-18(26)11-17(22)12-23(29)24-3-2-10-32-24/h2-7,10-11,13,23H,8-9,12,14-15H2,1H3,(H,27,30)/p+1/t23-/m1/s1 InChI=1/C25H24ClN3O2S/c1-31-19-5-6-21-20(13-19)16(14-28-21)8-9-27-25(30)15-29-22-7-4-18(26)11-17(22)12-23(29)24-3-2-10-32-24/h2-7,10-11,13,23H,8-9,12,14-15H2,1H3,(H,27,30)/p+1/t23-/m1/s1/fC25H25ClN3O2S/h27-28H/q+1 COc1ccc2=[NH+]CC(=c2c1)CCNC(=O)CN3c4ccc(cc4C[C@@H]3c5cccs5)Cl C01[X(C25H25Cl1N3O2S1)] 165 C01 538 COc1ccc2=[NH+]CC(=c2c1)CCNC(=O)CN1[C@H](Cc2c1ccc(c2)Cl)c1cccs1 CO[C]1[CH]=[CH][C]2[C]([CH]=1)=C(CC[NH][C](=O)CN1[C@H](C[C]3[C]1[CH][CH][C]([CH]3)Cl)C1=[CH][CH]=CS1)C[NH]2 COC1=CC2=C(CCNC(=O)CN3[C]4[CH][CH][C](Cl)[CH][C]4C[C@@H]3c5sccc5)CN[C]2C=C1 InChIKey=QRCFKZJYYXJVDA-HSZRJFAPSA-N InChI=1S/C25H25ClN3O2S/c1-31-19-5-6-21-20(13-19)16(14-28-21)8-9-27-25(30)15-29-22-7-4-18(26)11-17(22)12-23(29)24-3-2-10-32-24/h2-7,10-11,13,23,28H,8-9,12,14-15H2,1H3,(H,27,30)/t23-/m1/s1 InChI=1/C25H25ClN3O2S/c1-31-19-5-6-21-20(13-19)16(14-28-21)8-9-27-25(30)15-29-22-7-4-18(26)11-17(22)12-23(29)24-3-2-10-32-24/h2-7,10-11,13,23,28H,8-9,12,14-15H2,1H3,(H,27,30)/t23-/m1/s1/f/h27H 3387.3119423356 -2131.1252757 1-A 20889.9226 122 416 538 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1568.2192 1582.6984 1590.9297 1593.7489 1620.5807 1629.6594 1635.0485 1636.0189 1645.0276 1647.3704 1648.3118 1653.2553 1657.1731 1671.7416 1709.8588 1747.1123 1773.3610 1788.8901 1789.6293 1812.6519 1851.9800 1917.9398 3177.7676 3223.9701 3227.9847 3228.8980 3232.1481 3244.8489 3258.6840 3274.1150 3279.9463 3287.6357 3296.3120 3306.8134 3315.4649 3363.1956 3376.7898 3389.4514 3394.5594 3399.6682 3401.9008 3410.5685 3414.1251 3415.7889 3446.1873 3873.4041 3883.8405 7.0611 6.3122 5.8932 5.9097 7.2251 5.0784 4.4098 6.5068 4.8333 4.9165 5.5721 5.5217 4.5239 3.4957 7.1014 3.0527 3.8815 4.6993 3.5462 1.4272 2.5998 2.6786 3.3283 2.9903 4.2421 4.2968 3.9000 4.2154 5.6949 5.1722 5.7259 5.3978 3.8565 6.0572 3.1071 3.9223 3.8815 1.1464 4.0109 1.3729 2.6530 2.7997 3.0793 4.1287 5.1453 3.6677 3.5958 4.4270 3.2150 5.2758 4.2827 5.6518 4.6530 4.8673 4.8017 4.1068 4.7758 1.7157 2.2113 1.4325 4.3026 5.1852 2.8647 1.6165 1.7093 3.6392 2.9083 1.3923 2.2394 3.8074 1.7910 1.7205 1.4791 1.3593 1.3796 2.4547 2.3412 3.4716 3.3806 1.9906 3.2841 1.3400 3.8722 3.1772 2.3420 2.3857 3.3014 1.6397 1.5252 3.0018 1.4778 2.2266 1.2705 1.7936 1.1235 1.5003 2.5602 3.5100 1.5591 1.5783 1.5058 1.5267 1.4579 1.5785 3.3178 1.7981 1.7639 1.3599 1.3731 1.5709 1.2745 1.5283 1.5047 1.7498 2.8968 1.7670 1.5436 1.3216 2.9645 3.3488 1.7488 1.3343 1.1099 1.2396 1.1510 1.2308 1.1395 1.0520 1.0536 4.8180 2.6998 2.6638 2.1862 5.4368 5.5526 5.8817 7.1965 6.3430 5.8565 8.7984 1.0857 1.0633 1.0667 1.0598 1.0327 1.0639 1.0615 1.1055 1.1026 1.1008 1.1030 1.1089 1.1086 1.1049 1.0904 1.0930 1.0939 1.0907 1.0954 1.0938 1.0989 1.0957 1.1002 1.0818 1.0794 0.0003 0.0007 0.0026 0.0044 0.0073 0.0062 0.0066 0.0177 0.0185 0.0235 0.0307 0.0400 0.0470 0.0487 0.1021 0.0628 0.0967 0.1338 0.1219 0.0513 0.1020 0.1176 0.1486 0.1538 0.2229 0.2429 0.2509 0.3580 0.5006 0.5137 0.5866 0.6407 0.4740 0.7705 0.4169 0.6027 0.6134 0.1947 0.7283 0.2570 0.5186 0.5685 0.6658 0.9385 1.2482 0.9039 0.9265 1.1638 0.8678 1.5297 1.2989 1.8317 1.6178 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3.8799 22.4523 7.0268 13.0728 1.7832 0.5267 3.8446 88.1815 24.0858 97.3456 4.9241 10.2589 6.7554 12.0898 2.0589 0.7091 23.6195 9.9855 10.1056 3.7850 6.1731 37.0080 8.2381 7.8769 19.6018 4.8637 1.7488 54.5688 31.8725 7.8251 22.7677 26.4918 23.6925 67.8389 25.6359 13.9415 2.2439 8.8258 14.3771 4.0093 40.3060 7.1346 8.0855 0.8032 0.5314 0.9585 12.0492 24.2463 38.2901 0.6754 7.3888 0.3405 28.4253 12.1531 86.3586 8.8917 18.3229 8.7979 3.1272 74.2045 41.7043 17.8029 3.6448 7.4781 1.4282 7.8889 46.7496 40.6579 3.4231 7.0077 32.0243 0.3475 35.5905 25.7718 245.8672 19.1418 99.5023 3.0353 4.4445 112.6592 41.2944 84.7472 8.9450 59.1784 67.2963 41.3472 6.2940 75.6008 204.3465 8.3049 54.7759 59.5101 10.4668 39.7543 4.6527 2.3496 21.1501 10.7791 25.8320 22.3968 212.2998 377.3447 229.1938 4.5741 1.7357 377.1893 2.0670 9.4518 12.4432 351.6652 27.6321 19.7742 17.4731 1.9440 20.3101 11.6848 24.9544 0.6055 6.7479 16.7942 0.4527 27.7156 19.6724 21.4758 16.9305 6.5265 1.8823 0.0343 5.7261 4.8899 0.3037 50.2806 1.7041 237.1156 136.7450 5.4256 4.3494 0.4018 2.5856 0.7734 3.5725 5.6961 0.2897 4.7942 0.7142 1.4381 1.3533 1.9686 0.7143 0.4997 2.2458 0.4942 2.1537 0.7472 0.3915 3.7865 1.0532 3.2596 1.3648 3.5850 2.2605 0.4153 3.4570 1.2583 5.8692 2.0403 2.0970 3.2364 3.8176 1.4393 2.7594 2.3535 0.6906 5.3506 2.9085 3.2675 2.0636 1.9238 6.8077 3.6550 1.2497 3.5602 6.7943 1.4912 2.6820 2.9514 9.1263 0.8097 7.6301 6.4098 4.4313 2.9636 3.2148 2.8276 6.9826 18.9696 5.5339 2.3152 4.4585 0.8947 2.8766 6.8245 1.3212 1.1132 4.7714 13.2782 8.4334 1.9769 2.5856 1.7419 4.3596 1.4283 32.5676 5.9409 3.4331 4.4374 1.4423 8.8029 7.3510 19.7396 2.9218 3.4947 6.9387 8.7208 1.7882 7.7487 6.2407 3.2332 1.6902 5.7828 5.1321 3.7533 7.6855 6.5901 15.6196 5.0045 17.1278 16.0547 5.2963 22.4602 5.0566 92.0901 6.7134 47.8956 12.6736 31.8776 18.2215 19.6473 7.4290 90.7113 7.2554 6.4711 61.6360 21.6830 3.7930 28.1740 155.6633 9.9906 74.1748 19.8664 32.9463 10.6905 15.6266 7.2633 126.8399 4.2107 352.2299 2.1400 34.2665 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0.5540 0.3535 0.6515 0.8555 0.0802 0.8292 0.4918 0.2500 0.8569 0.5295 0.8327 0.7107 0.7935 0.4232 0.2175 0.8411 0.7887 0.5728 0.4422 0.8296 0.6667 0.5969 0.3387 0.3368 0.4134 0.6171 0.4257 0.6757 0.3538 0.7671 0.6572 0.6947 0.5423 0.6159 0.4914 0.8422 0.8010 0.4596 0.8225 0.4216 0.5365 0.5509 0.3363 0.8538 0.3660 0.4211 0.8562 0.3400 0.7779 0.7520 0.4695 0.5172 0.7496 0.7239 0.4685 0.4101 0.4392 0.1244 0.2092 0.3334 0.0774 0.2418 0.2419 0.8510 0.7188 0.6621 0.8056 0.8540 0.8539 0.6379 0.6633 0.7423 0.4895 0.8565 0.3009 0.5010 0.3388 0.4485 0.3577 0.5040 0.3696 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 6 8 6 6 6 6 7 1 6 6 6 6 6 6 7 6 8 6 7 6 6 6 6 6 6 6 6 1 6 6 6 6 16 17 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 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 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 1.00783 12363.0927 29693.5594 35898.1683 0.99988 -0.01558 -0.00172 0.01561 0.99980 0.01281 0.00152 -0.01283 0.99992 1 0.00701 0.00292 0.00241 0.14598 0.06078 0.05027 12.53 20.35 39.33 51.41 59.59 65.45 72.44 97.85 115.97 129.69 139.05 159.51 190.98 221.35 224.74 268.74 295.80 316.31 347.51 355.53 371.20 392.81 396.09 425.16 429.72 445.63 475.40 546.28 555.75 590.71 599.94 645.79 657.11 668.53 686.62 734.77 745.15 772.52 798.71 810.91 828.77 844.64 871.60 893.69 923.23 930.51 951.44 961.07 973.85 1009.31 1032.27 1067.10 1105.24 1122.30 1148.07 1165.45 1166.02 1173.57 1176.29 1197.57 1233.04 1275.70 1328.11 1336.32 1337.81 1381.50 1394.66 1413.05 1431.10 1446.56 1456.52 1469.20 1473.76 1521.93 1535.74 1543.06 1576.56 1585.06 1610.10 1619.97 1634.04 1637.74 1646.57 1664.20 1700.04 1709.78 1735.25 1747.21 1749.05 1791.77 1804.18 1829.99 1856.20 1864.38 1872.41 1873.75 1879.51 1898.26 1907.01 1922.21 1962.61 1971.87 1987.17 2012.40 2023.74 2033.45 2042.34 2063.21 2073.63 2094.06 2109.43 2124.92 2130.98 2150.60 2186.98 2214.50 2218.11 2235.45 2256.32 2277.15 2288.99 2293.05 2331.65 2344.72 2352.47 2353.87 2366.83 2370.20 2371.55 2378.67 2384.30 2405.26 2460.11 2513.70 2551.47 2573.81 2574.88 2608.00 2664.59 2759.49 4572.10 4638.57 4644.35 4645.66 4650.34 4668.61 4688.52 4710.72 4719.11 4730.17 4742.66 4757.77 4770.21 4838.89 4858.45 4876.66 4884.01 4891.36 4894.58 4907.05 4912.16 4914.56 4958.29 5572.96 5587.98 0.494530 0.521567 0.522512 0.432266 -2130.630746 -2130.603708 -2130.602764 -2130.693010 3.026866D-04 MUNgauss RevisionA2.0 retrievium 27-Jan-2021 DUDE COc1ccc2=[NH+]CC(=c2c1)CCNC(=O)CN3c4ccc(cc4C[C@@H]3c5cccs5)Cl C64622779 RHF 6-31G(d) (6D,10F) C1 466.135602 |X|Y|Z| 118.574107 70.523274 43.085699 71.157141 28 6 7 16 24 3 1 |36.858105| |13.477424|73.516695| |8.051900|25.461824|36.858105| |5.225941|14.618338|13.065613|36.858105| |3.943738|9.425249|7.678001|14.115852|36.858105| |3.747742|8.225400|6.797591|8.087761|13.417148|36.858105| |3.010764|6.246413|4.647592|5.263257|7.707642|14.492921|53.358707| |2.669055|5.529943|3.942078|4.643720|6.802116|9.267705|26.018130|0.500000| |2.893202|5.691222|4.106424|4.161213|5.197264|8.384843|17.917792|0.243732|36.858105| |3.574931|6.887278|5.155668|4.667115|5.299266|8.448586|11.259134|0.161755|12.711293|36.858105| |4.458650|9.250708|7.988055|6.918716|7.671428|13.224517|11.470546|0.164228|8.206494|14.068348|36.858105| |6.722349|14.145490|14.176829|7.826526|6.570693|7.596591|7.175838|0.117201|5.079198|7.458338|13.187941|36.858105| |3.392401|6.075745|4.191979|3.616726|3.814446|5.120535|6.905126|0.112921|7.199170|12.719842|7.457429|5.912741|36.858105| |3.372531|5.858621|3.881817|3.306456|3.379371|4.249972|5.606592|0.095518|5.257579|7.523901|5.796770|5.238448|12.295952|36.858105| |3.196662|5.286879|3.314024|2.798637|2.778929|3.305820|4.335375|0.076518|3.861290|5.057930|4.282989|4.246423|7.704314|13.238281|53.358707| |3.661148|5.733692|3.464892|2.823550|2.704415|3.109410|3.936671|0.069928|3.339362|4.387382|4.043714|4.387149|6.025395|7.872616|19.289208|36.858105| |4.741809|7.097766|4.256378|3.280003|3.040500|3.453739|4.194383|0.073732|3.449987|4.704749|4.660267|5.561543|5.984659|6.955384|11.582826|15.763735|73.516695| |3.082019|4.777863|2.782027|2.334269|2.232810|2.493424|3.205171|0.058358|2.663220|3.270902|3.063938|3.304680|4.185223|5.030753|10.629800|12.529628|14.237009|36.858105| |2.529620|4.055785|2.389431|2.069180|2.022641|2.273118|3.004310|0.055286|2.534360|2.999292|2.722107|2.806212|3.866002|4.543860|9.395776|7.658220|9.459024|13.201116|53.358707| |2.346370|3.804323|2.250599|1.971334|1.942788|2.188161|2.924352|0.054075|2.481522|2.889893|2.593415|2.631866|3.723859|3.988989|7.495977|5.841314|8.018119|7.778229|18.405253|36.858105| |2.470028|4.017345|2.393821|2.089042|2.061179|2.335786|3.115960|0.057329|2.658074|3.127062|2.791501|2.825092|4.072026|4.002301|7.076687|5.616885|8.304108|6.337072|10.324897|13.805056|36.858105| |2.162956|3.572897|2.123362|1.892789|1.883457|2.117075|2.862008|0.053377|2.420976|2.743567|2.459233|2.452506|3.410566|3.231027|5.266314|4.005309|6.303192|4.356008|6.944502|7.996640|13.681491|36.858105| |1.891600|3.143380|1.856516|1.677838|1.675988|1.867101|2.545726|0.048035|2.135030|2.358642|2.125859|2.109448|2.856409|2.788185|4.490765|3.336901|5.228795|3.737904|6.258662|6.934762|7.923823|13.815965|36.858105| |1.832924|3.035763|1.785562|1.613556|1.608869|1.786919|2.434794|0.046016|2.036932|2.247824|2.031537|2.022800|2.721796|2.778177|4.581163|3.374824|5.146405|3.968641|7.205186|7.928033|6.800371|7.896623|13.691601|36.858105| |2.007952|3.293030|1.936710|1.729285|1.714735|1.911889|2.584528|0.048460|2.171502|2.443811|2.206218|2.216134|3.023735|3.221436|5.624419|4.180290|6.073176|5.292376|11.263866|13.699962|7.903932|6.906504|8.018117|13.863325|36.858105| |1.927193|3.159072|1.846288|1.654326|1.636735|1.811442|2.444890|0.046038|2.034335|2.273674|2.074038|2.092396|2.759381|3.077547|5.357297|3.936195|5.691065|5.120285|10.938064|8.090067|5.187386|4.486568|4.965144|7.271462|12.633018|36.858105| |2.205770|3.552246|2.062415|1.816008|1.774628|1.960339|2.603256|0.048597|2.155150|2.470412|2.282078|2.352273|3.021681|3.523772|6.488470|5.067343|7.026751|7.641233|17.564095|8.226288|5.221907|4.109882|4.091765|5.127750|8.037454|12.331957|36.858105| |2.204155|3.504526|2.003543|1.758616|1.701540|1.856155|2.442959|0.045742|1.992811|2.283967|2.150951|2.255136|2.735027|3.115977|5.534182|4.583911|6.705081|7.090198|12.324928|6.858554|4.798975|3.882138|3.863177|4.714723|6.741036|8.854245|17.488376|0.500000| |2.158440|3.502453|2.032112|1.801116|1.762257|1.938094|2.575603|0.048248|2.116490|2.403502|2.235688|2.298486|2.874896|3.498967|6.203734|4.611099|6.534453|6.100131|10.445684|5.245308|3.864485|3.174460|3.152891|3.776227|5.131026|7.390629|12.689351|0.252031|36.858105| |2.081227|3.361533|1.920263|1.708296|1.657890|1.794304|2.367643|0.044636|1.908488|2.150038|2.044348|2.129118|2.490194|2.988469|5.006697|3.836526|5.777969|4.863797|7.170359|3.967807|3.138202|2.660669|2.648753|3.092630|3.920833|5.237671|7.472543|0.200737|14.145403|36.858105| |1.976296|3.239960|1.856469|1.671493|1.630661|1.758329|2.331045|0.044190|1.866935|2.073373|1.977332|2.040383|2.352891|2.851477|4.551929|3.344449|5.162723|3.861990|5.523441|3.206959|2.647248|2.290160|2.278700|2.606981|3.169840|4.024289|5.036677|0.130830|8.180115|13.248156|36.858105| |1.969993|3.278334|1.909069|1.730275|1.708610|1.863986|2.498683|0.047334|2.024320|2.231888|2.094104|2.119242|2.548092|3.157327|4.983741|3.454401|5.242805|3.794972|5.583519|3.254981|2.693695|2.329023|2.313194|2.639377|3.204486|4.019912|4.810028|0.116526|7.663127|8.242756|14.191869|36.858105| |2.082526|3.465537|2.050470|1.844058|1.835443|2.044226|2.762814|0.051836|2.300514|2.568075|2.339175|2.334081|3.067999|3.879895|6.572470|4.307148|6.128950|4.807375|7.896439|4.374472|3.434667|2.887602|2.860528|3.335040|4.265294|5.527303|6.701943|0.141995|10.940886|7.469982|7.459671|11.019394|388.023441| |1.660235|2.791898|1.643553|1.510070|1.516199|1.672220|2.297151|0.043897|1.900451|2.044737|1.861336|1.834920|2.383840|2.283236|3.506063|2.584991|4.200090|2.795120|4.407059|4.243433|4.756531|7.045877|10.934006|7.030152|4.786602|3.574724|3.017057|0.080990|2.476909|2.160080|1.907748|1.934367|16.389962|448.794386| |17.591644|16.429841|7.092876|4.738817|3.743424|3.684457|4.085265|0.073522|2.945803|3.696988|4.505347|6.712101|3.598934|3.455564|4.547358|3.917859|9.266092|3.291559|3.651644|2.530083|2.725007|2.380747|2.049313|1.960640|2.139434|2.018589|2.302191|0.064105|2.203951|2.100234|1.964118|1.955133|14.946633|14.387662|0.500000| |17.681116|16.949777|5.912377|4.421038|3.408000|3.168514|3.557882|0.065711|2.498680|2.978258|3.591281|4.911390|2.849152|2.856170|3.754284|3.142274|6.931691|2.762198|3.126677|2.138714|2.234378|1.982058|1.753867|1.705434|1.857543|1.794770|2.045048|0.057380|2.008548|1.964908|1.871417|1.846610|13.673404|12.478601|0.299250|0.500000| |17.595481|16.418513|7.103487|4.735560|3.744430|3.690766|4.092027|0.073576|2.951731|3.708419|4.521109|6.749451|3.612981|3.788593|4.919278|4.211693|9.942720|3.475285|3.788131|2.513272|2.594966|2.231503|1.956814|1.919663|2.135342|2.074219|2.419334|0.066918|2.399669|2.319928|2.207832|2.199746|16.469554|13.614260|0.298892|0.299130|0.500000| |4.938090|13.854935|8.841011|17.730268|9.051921|5.692065|5.702482|0.108115|3.399037|3.694601|4.979488|5.662288|3.011902|2.814601|3.337140|2.498801|5.112969|2.119313|2.566807|1.799190|1.897003|1.733058|1.549050|1.493260|1.593654|1.531970|1.677515|0.045455|1.668265|1.598333|1.568563|1.612482|12.071478|11.281962|0.121428|0.123830|0.121158|0.500000| |3.310081|7.629561|5.506875|8.974835|17.753315|8.730737|9.208678|0.191871|4.535501|4.293694|5.498713|4.796021|3.231579|2.903154|3.310380|2.356349|4.619618|1.988335|2.484600|1.762665|1.862178|1.722466|1.548407|1.488408|1.575162|1.508684|1.621353|0.043246|1.615080|1.526825|1.510079|1.582696|12.000271|11.367798|0.087414|0.082330|0.087391|0.215463|0.500000| |2.631970|5.099781|3.562378|3.605596|4.382805|6.319772|12.350526|0.204979|17.543836|8.848744|6.213870|4.290372|6.411120|5.324942|5.262098|3.235416|5.762684|2.612062|3.440115|2.447720|2.561280|2.330850|2.089601|2.023380|2.167647|2.059766|2.173819|0.055326|2.168441|1.951889|1.933093|2.127284|17.199051|14.912107|0.073454|0.063927|0.075901|0.084118|0.110186|0.500000| |2.635703|5.107436|3.569260|3.613911|4.393510|6.334175|12.358230|0.205722|17.549436|8.864558|6.225054|4.297826|6.408680|4.533112|4.836564|3.107112|5.639664|2.537819|3.345678|2.469518|2.693250|2.508221|2.207723|2.075585|2.176664|2.009379|2.092113|0.053802|2.025085|1.818813|1.766298|1.907624|15.524122|15.971307|0.075891|0.063994|0.073693|0.084300|0.110439|0.300473|0.500000| |7.300673|12.365558|8.945378|5.550706|4.796700|5.489543|5.839720|0.098102|4.450255|6.635607|8.739497|17.758847|6.334240|5.910252|6.876901|5.595363|14.127689|3.997805|4.425028|3.004173|3.231999|2.726029|2.312074|2.221306|2.469529|2.321410|2.662232|0.071076|2.572810|2.366365|2.231748|2.300415|18.222171|15.842443|0.218081|0.143682|0.221176|0.123801|0.104902|0.108070|0.108100|0.500000| |2.860002|5.128976|3.441712|3.099693|3.332798|4.372744|6.343190|0.107792|6.927258|8.918307|5.602801|4.497483|17.575952|8.764117|9.035959|5.080204|8.448922|3.841910|5.151241|3.802814|4.203041|3.631177|3.057644|2.884774|3.147857|2.825534|2.985154|0.074194|2.809379|2.406002|2.273518|2.484061|21.642350|20.565447|0.084316|0.068458|0.083442|0.073344|0.081078|0.180466|0.192567|0.130354|0.500000| |3.727502|6.463779|4.370736|3.616614|3.661152|4.677527|5.983534|0.100021|5.608251|9.074302|6.881592|6.260538|17.611064|8.874507|10.117118|6.807321|12.905637|4.617156|5.584670|4.043805|4.665334|3.816404|3.075079|2.868139|3.181007|2.830987|3.127046|0.079932|2.884697|2.503332|2.316663|2.454627|20.934684|20.362316|0.114640|0.085947|0.108777|0.084263|0.085780|0.134808|0.147625|0.203244|0.302584|0.500000| |3.907916|6.803883|4.557583|3.754432|3.736581|4.615858|5.746868|0.097332|4.995127|7.249584|6.486826|6.287004|8.788043|17.622362|12.578164|7.307861|13.200569|4.723178|5.487718|3.477758|3.469743|2.842399|2.477502|2.476752|2.856588|2.783282|3.246474|0.081814|3.305296|2.926444|2.832958|3.091186|25.577221|16.551195|0.107763|0.090184|0.126629|0.087860|0.087493|0.138437|0.115413|0.199395|0.173867|0.202649|0.500000| |2.895980|5.127016|3.365635|3.002921|3.149743|3.941579|5.476906|0.095419|5.223813|6.453466|4.932143|4.284838|8.756313|17.605900|12.620068|5.821517|9.009591|4.269805|5.618594|3.649968|3.560921|2.970274|2.643221|2.674034|3.077601|3.007933|3.356652|0.081332|3.441951|2.938018|2.882389|3.300476|29.028506|17.610748|0.081143|0.069705|0.089400|0.071938|0.076974|0.161331|0.124765|0.126490|0.219204|0.174843|0.302695|0.500000| |2.751303|4.581484|2.832109|2.458496|2.464907|2.895574|3.890450|0.070021|3.456877|4.227630|3.579153|3.489240|6.037240|8.950479|26.051768|9.459286|10.897798|7.501661|11.094174|6.212064|5.351897|4.005476|3.530937|3.736679|4.751838|4.651702|5.586627|0.124202|5.378783|4.080688|3.684378|4.160269|43.056322|21.753836|0.079407|0.067414|0.085328|0.060668|0.060998|0.098662|0.090194|0.111048|0.162253|0.158172|0.184984|0.229526|0.500000| |3.183850|4.830570|2.759653|2.301540|2.176226|2.397565|3.054985|0.055830|2.500410|3.057887|2.928457|3.227861|3.799751|4.229365|7.953146|9.007964|13.368537|17.542533|12.239152|7.190065|6.590419|4.576196|3.827305|3.926046|4.994665|4.575906|6.245692|0.182219|4.860526|4.157381|3.327843|3.192039|27.259046|23.098902|0.096935|0.079976|0.097812|0.058465|0.053890|0.067043|0.066906|0.109059|0.097065|0.120982|0.112664|0.099764|0.151525|0.500000| |3.052539|4.699272|2.691847|2.266716|2.152256|2.367708|3.028997|0.055514|2.472740|2.991162|2.864421|3.124728|3.660547|4.539260|8.808408|9.106090|12.154703|17.575837|12.556912|5.745361|4.703680|3.531566|3.169167|3.432368|4.471983|4.745147|7.489558|0.203612|7.031638|5.977782|4.609107|4.344628|36.919465|19.761078|0.088113|0.077067|0.097658|0.057685|0.053476|0.068083|0.064740|0.103663|0.092779|0.108359|0.124885|0.110573|0.176134|0.302413|0.500000| |2.836583|4.572489|2.742303|2.346424|2.297275|2.621796|3.443720|0.062552|2.943223|3.591253|3.218337|3.306707|4.791045|4.530556|7.955739|6.744210|10.369922|6.767454|9.152427|8.850742|17.728592|8.915789|5.649795|4.915367|5.611600|4.228500|4.566178|0.118956|3.585954|2.981970|2.554203|2.599284|23.068068|31.594913|0.088692|0.070131|0.082573|0.058644|0.056950|0.077214|0.082388|0.107716|0.132236|0.163998|0.109395|0.106799|0.153319|0.203948|0.135861|0.500000| |2.169618|3.608809|2.148859|1.924617|1.918591|2.152593|2.910973|0.054391|2.449022|2.757397|2.485056|2.470514|3.354949|3.049148|4.757822|3.625537|5.960464|3.755094|5.593343|5.671571|8.897544|17.746256|8.960609|5.636128|4.971836|3.582161|3.377323|0.090132|2.725355|2.341002|2.050626|2.085261|17.950665|54.006166|0.066979|0.055242|0.061254|0.048975|0.048808|0.064553|0.071516|0.075563|0.099440|0.105896|0.075238|0.077514|0.097515|0.111327|0.086321|0.215364|0.500000| |1.665411|2.773080|1.625051|1.482171|1.480965|1.633612|2.234834|0.042565|1.854043|2.014968|1.832779|1.820494|2.388362|2.446348|3.934332|2.874863|4.456206|3.334389|5.837407|5.629167|4.915820|5.633360|8.891376|17.737121|8.901139|6.511027|4.460402|0.116094|3.467178|2.915951|2.493230|2.517235|22.068360|53.753864|0.049122|0.043358|0.048344|0.038316|0.038313|0.051467|0.052500|0.054974|0.070282|0.068980|0.061276|0.066382|0.088973|0.091337|0.083069|0.106915|0.124217|0.500000| |1.842990|3.059247|1.802824|1.630411|1.628065|1.810997|2.470775|0.046671|2.069482|2.281541|2.058571|2.044552|2.762603|3.112132|5.303585|3.684572|5.333727|4.458086|9.008043|6.446158|4.511225|4.002775|4.432431|6.191840|8.865619|17.549623|8.731860|0.174970|7.087009|4.989262|4.106853|4.352057|45.306834|26.818893|0.053209|0.047588|0.055132|0.041873|0.041833|0.058978|0.056766|0.062314|0.079744|0.076844|0.077394|0.087067|0.132080|0.108016|0.116845|0.105081|0.091001|0.163150|0.500000| |1.784087|2.923220|1.692944|1.525712|1.505119|1.648106|2.221016|0.042101|1.824509|2.018755|1.865616|1.892075|2.392489|2.631677|4.418832|3.305916|4.960883|4.224432|7.899986|5.920113|4.269069|3.909492|4.469609|6.470135|8.715480|17.601475|8.715513|0.224524|6.217756|4.995705|3.849252|3.696992|32.869429|27.471418|0.051768|0.046629|0.053052|0.039540|0.038750|0.051225|0.050154|0.057907|0.067742|0.068315|0.067393|0.071597|0.102834|0.109859|0.112939|0.099161|0.089182|0.180570|0.302201|0.500000| |2.056110|3.288712|1.855626|1.647647|1.587243|1.702230|2.232946|0.042190|1.783605|2.009875|1.933505|2.037082|2.305150|2.698536|4.466217|3.550371|5.505907|4.595095|6.505195|3.753193|3.024052|2.592144|2.585980|2.999255|3.730168|4.820893|6.676403|0.211481|8.929188|17.729681|8.587078|5.736717|37.724457|17.075691|0.057832|0.054467|0.063319|0.043083|0.040662|0.050209|0.047413|0.063000|0.061665|0.065319|0.074067|0.072586|0.098168|0.115513|0.156748|0.079980|0.063686|0.078976|0.121253|0.135063|0.500000| 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