Version2.2 2021-02-21T13:03:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1NS(=O)(=O)c2ccc(cc2)NC(=S)Nc3ccc(cc3)OC C13936219 RHF 6-31G(d) (6D,7F) Cc1ccccc1NS(=O)(=O)c2ccc(cc2)NC(=S)Nc3ccc(cc3)OC C01[X(C21H21N3O3S2)] 144 C1 485 COc1ccc(cc1)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C COc1ccc(cc1)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C COc1ccc(NC(=S)Nc2ccc(cc2)[S](=O)(=O)Nc3ccccc3C)cc1 InChIKey=WHQOSCOOHMEHPN-UHFFFAOYSA-N InChI=1S/C21H21N3O3S2/c1-15-5-3-4-6-20(15)24-29(25,26)19-13-9-17(10-14-19)23-21(28)22-16-7-11-18(27-2)12-8-16/h3-14,24H,1-2H3,(H2,22,23,28) InChI=1/C21H21N3O3S2/c1-15-5-3-4-6-20(15)24-29(25,26)19-13-9-17(10-14-19)23-21(28)22-16-7-11-18(27-2)12-8-16/h3-14,24H,1-2H3,(H2,22,23,28)/f/h22-23H Cc1ccccc1NS(=O)(=O)c2ccc(cc2)NC(=S)Nc3ccc(cc3)OC C01[X(C21H21N3O3S2)] 144 C01 485 COc1ccc(cc1)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C CO[C]1[CH][CH][C]([CH][CH]1)[NH][C](S)N[C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N[C]1[CH][CH][CH][CH][C]1C CO[C]1[CH][CH][C]([CH][CH]1)N[C](S)N[C]2[CH][CH][C]([CH][CH]2)[S](=O)(=O)N[C]3[CH][CH][CH][CH][C]3C InChIKey=DDGVIJMILLVNOT-UHFFFAOYSA-N InChI=1S/C21H22N3O3S2/c1-15-5-3-4-6-20(15)24-29(25,26)19-13-9-17(10-14-19)23-21(28)22-16-7-11-18(27-2)12-8-16/h3-14,22-24,28H,1-2H3 InChI=1/C21H22N3O3S2/c1-15-5-3-4-6-20(15)24-29(25,26)19-13-9-17(10-14-19)23-21(28)22-16-7-11-18(27-2)12-8-16/h3-14,22-24,28H,1-2H3 2915.8326852478 -1990.3404555 1-A 21421.8876 112 373 485 |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| -92.20779 -91.87582 -20.59712 -20.55020 -20.54986 -15.62718 -15.62054 -15.60346 -11.38783 -11.30948 -11.30750 -11.28875 -11.28068 -11.27609 -11.27301 -11.26489 -11.26238 -11.25650 -11.25172 -11.24915 -11.24910 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415.2990 434.0175 456.8771 458.9674 469.9706 480.9115 499.6880 505.6014 506.2523 510.9709 554.6010 564.2376 573.0364 574.1681 600.0353 630.2070 659.0738 688.6714 689.4082 694.1593 706.6195 723.1461 745.6259 762.8692 791.4290 808.9158 822.7365 842.6820 852.3971 860.8452 902.4934 911.4635 921.2166 943.9103 948.0955 966.5144 985.1460 1004.1879 1022.1703 1075.3283 1082.7841 1091.1150 1092.1219 1094.4181 1111.3785 1112.5694 1118.1939 1121.2712 1151.1385 1170.7412 1182.3380 1198.2086 1201.0716 1204.6675 1207.1972 1236.4868 1268.4391 1270.8944 1288.5943 1291.4531 1294.1464 1299.8844 1306.5964 1322.9450 1332.2503 1334.8612 1361.9153 1380.6383 1393.1875 1427.9354 1433.5041 1448.0191 1450.2502 1464.7961 1469.2642 1559.9242 1570.7607 1575.0240 1578.4074 1614.7740 1631.2392 1635.5195 1649.8933 1651.3045 1659.9239 1673.3012 1677.5293 1686.5270 1702.4203 1721.7828 1780.0218 1782.7814 1785.2071 1808.4797 1811.8971 1822.7607 3196.3314 3210.4844 3263.5912 3274.4101 3299.4121 3331.5816 3358.3391 3372.2023 3374.8466 3378.9450 3384.1102 3386.8451 3401.4534 3408.7462 3411.5621 3419.5960 3422.2309 3427.6120 3823.8755 3836.8977 3837.7911 5.6544 3.8031 5.0214 6.4651 7.2128 5.1783 4.0606 4.9038 5.4827 4.7460 5.4993 6.1070 1.9545 1.7666 5.8468 4.8220 4.9474 4.8572 2.9362 1.2146 3.9080 1.4298 6.0415 3.7817 6.5805 5.2904 6.1854 4.7857 5.6286 3.0343 2.9481 2.6529 3.5131 3.5632 2.7809 1.4095 1.8778 4.2804 4.2090 3.3899 4.5339 4.3588 5.0929 7.8506 5.8200 6.3269 7.2064 6.0415 6.5702 6.2645 4.7358 3.6269 4.0105 4.3093 1.9568 4.1187 2.3385 4.2444 4.2882 1.2611 1.3618 1.5315 1.8209 1.5136 3.1205 4.4963 1.4222 1.3969 1.6729 1.3410 1.3753 2.6011 1.5502 2.3357 1.3375 2.2409 1.5202 5.7398 2.2622 1.7551 2.7167 3.1797 1.7227 6.6053 3.1702 2.2278 1.4264 1.2671 1.9809 1.2169 3.1006 1.5728 1.6441 2.8873 2.8041 2.0251 1.6841 3.9336 2.0775 1.3397 3.0671 3.6811 2.4269 1.3617 1.4763 2.8909 1.7237 1.2030 1.0577 1.2247 1.0478 1.0565 2.3358 2.0719 1.8615 2.3413 1.9202 6.4457 5.3198 4.3258 5.2883 5.6021 5.6395 1.0487 1.0343 1.0902 1.1076 1.1022 1.1021 1.0877 1.0924 1.0921 1.0908 1.0916 1.0973 1.0960 1.0910 1.0939 1.0945 1.0949 1.0962 1.0772 1.0768 1.0762 0.0004 0.0005 0.0015 0.0026 0.0036 0.0048 0.0075 0.0117 0.0193 0.0243 0.0430 0.0600 0.0282 0.0278 0.1239 0.1058 0.1127 0.1488 0.1129 0.0535 0.1808 0.0805 0.3515 0.2303 0.4899 0.4339 0.5786 0.4863 0.6247 0.3732 0.3659 0.3452 0.4787 0.5242 0.4188 0.2128 0.2889 0.7757 0.7895 0.6558 0.8806 0.9246 1.1917 2.0092 1.6263 1.7717 2.0459 1.7773 2.0243 2.0520 1.6239 1.3385 1.5461 1.7186 0.8187 1.7632 1.0210 2.0368 2.0989 0.6306 0.7149 0.8111 1.0022 0.8655 1.8540 2.7679 0.9689 0.9650 1.1734 0.9424 0.9705 1.8929 1.1305 1.7207 0.9908 1.7495 1.2277 4.7275 1.9136 1.4917 2.3229 2.7302 1.5518 6.2615 3.0169 2.1796 1.4016 1.2504 1.9721 1.2240 3.1973 1.6447 1.7260 3.1553 3.1493 2.3158 2.0232 4.7626 2.5664 1.6601 3.8774 4.6820 3.4795 1.9795 2.1577 4.2435 2.6481 1.8861 1.6670 1.9642 1.6834 1.7152 3.8533 3.4352 3.1195 3.9980 3.3539 12.0330 9.9618 8.1226 10.1905 10.8360 11.0396 6.3125 6.2814 6.8415 6.9965 7.0695 7.2071 7.2280 7.3190 7.3289 7.3380 7.3657 7.4156 7.4712 7.4692 7.5015 7.5407 7.5554 7.5880 9.2797 9.3396 9.3388 1.1696 0.5357 0.3651 0.3294 7.1290 1.0829 0.5562 2.6614 3.7930 1.0264 1.9059 3.2365 0.2709 1.1896 3.4383 0.8698 5.3663 0.8885 4.8226 1.1438 1.3474 36.7049 7.1471 5.3743 13.4603 1.8132 5.3506 2.7232 4.0940 24.9967 2.3354 14.3848 5.6641 7.4531 23.2679 117.2058 102.1353 9.9851 7.0323 7.1777 0.4721 21.5454 71.8410 167.1861 6.0345 30.5916 4.7071 3.6570 99.6324 67.7572 55.1188 33.3071 8.9088 27.4001 36.2539 16.7362 6.5617 9.7330 48.7687 1.1662 16.0965 34.1425 21.6694 18.5039 115.1471 29.6166 1.4747 8.3191 4.7450 0.5056 0.1145 5.5160 0.6833 4.3780 0.7231 5.1599 1.6898 60.3790 24.8950 11.8403 53.8484 31.9565 7.4608 313.8201 35.2966 35.1075 40.5991 3.3748 12.7533 4.0005 64.9192 3.7645 13.1165 39.6303 258.1470 526.6199 13.9137 125.1095 159.8134 3.7048 289.3442 63.9911 29.2548 34.1815 75.9670 3.9684 5.9592 33.7867 3.8502 9.6384 4.8117 32.0619 81.6464 9.3009 43.4955 941.3102 30.4595 16.9715 7.2941 38.7938 65.6724 1.8354 60.1558 31.2457 49.6784 20.5530 52.0137 15.5733 43.9704 1.9825 21.8258 9.9001 10.8716 11.1076 31.5244 7.1653 0.3886 10.0630 0.4731 0.9587 3.0607 20.9823 55.8105 53.0912 1.3636 2.7297 1.1654 2.1819 5.8972 5.4261 6.5184 1.4889 1.4672 0.2993 2.8699 3.7421 1.3134 1.4258 0.5482 1.4396 1.1206 2.0508 0.6695 0.4859 2.9391 5.4153 2.3235 3.7962 2.2056 0.9707 6.6243 0.3935 1.9228 2.4810 1.7082 0.7083 1.1203 2.4629 1.6047 2.4886 8.6376 1.1026 5.8163 0.8577 2.2017 1.2798 3.2753 3.5125 5.6783 3.6145 1.9754 7.0343 3.7900 5.1310 2.7547 4.3902 8.3915 9.9259 10.3066 6.4913 9.4825 4.3165 7.3393 2.7592 1.1103 2.6538 2.5154 2.2886 9.3087 27.4178 6.5340 0.7657 2.1282 0.7927 2.0602 0.3492 0.5721 1.7743 0.3056 17.3891 0.8595 2.1763 3.9542 1.1394 6.9764 4.0721 6.4171 31.5654 2.7691 7.8421 1.7169 4.7058 0.7138 4.3474 1.3325 1.5969 3.4692 29.4746 13.4616 18.3489 4.0608 4.6103 23.1857 3.2508 15.6347 5.6486 2.2747 7.1857 9.2029 2.0737 2.8522 7.2083 16.2065 5.9948 25.7371 14.1874 4.2072 3.0510 16.0603 13.4159 6.2895 9.5254 18.9690 4.6809 127.7659 23.9684 92.3884 125.6989 106.8891 77.1248 43.1690 50.3991 149.6748 52.5861 80.3425 56.4803 49.5114 45.8662 190.3769 132.3086 42.6492 102.5568 56.3160 75.4269 93.8032 42.0059 33.4463 171.6830 0.6437 0.7496 0.7240 0.7170 0.7499 0.7492 0.7049 0.7346 0.6086 0.3381 0.7177 0.7357 0.2282 0.4359 0.4861 0.6481 0.5252 0.6934 0.2606 0.7410 0.7062 0.2351 0.4254 0.7499 0.6572 0.7280 0.7324 0.6714 0.4205 0.7497 0.3272 0.3969 0.3353 0.7084 0.4742 0.6309 0.1685 0.7113 0.2249 0.5109 0.3453 0.6490 0.6397 0.2678 0.7341 0.3705 0.7154 0.7099 0.3438 0.1167 0.2726 0.0629 0.2022 0.1491 0.0890 0.0327 0.1129 0.6814 0.0934 0.7439 0.7213 0.4285 0.1686 0.4561 0.2101 0.1391 0.4589 0.5772 0.4306 0.4894 0.3577 0.5970 0.2398 0.3047 0.6724 0.0959 0.6409 0.7420 0.3175 0.2767 0.4251 0.2126 0.7435 0.0808 0.7377 0.3131 0.1586 0.7442 0.1433 0.2760 0.6305 0.3710 0.2885 0.1323 0.2711 0.3766 0.1767 0.7353 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1.00783 1.00783 5524.8209 35195.5571 38060.3819 1.00000 -0.00120 0.00042 0.00119 1.00000 0.00208 -0.00042 -0.00208 1.00000 1 0.01568 0.00246 0.00228 0.32666 0.05128 0.04742 15.25 20.85 32.17 37.40 41.86 56.93 80.78 91.44 111.08 134.25 165.81 185.80 225.25 235.33 272.82 277.67 282.88 328.06 367.58 393.37 403.22 444.74 452.13 462.57 511.43 536.83 573.30 597.52 624.45 657.34 660.35 676.18 691.92 718.94 727.45 728.38 735.17 797.95 811.81 824.47 826.10 863.32 906.73 948.26 990.84 991.90 998.74 1016.67 1040.45 1072.79 1097.60 1138.69 1163.85 1183.73 1212.43 1226.41 1238.56 1298.49 1311.39 1325.43 1358.08 1364.10 1390.60 1417.41 1444.80 1470.68 1547.16 1557.88 1569.87 1571.32 1574.62 1599.03 1600.74 1608.83 1613.26 1656.23 1684.44 1701.12 1723.95 1728.07 1733.25 1736.89 1779.03 1825.00 1828.53 1854.00 1858.11 1861.99 1870.24 1879.90 1903.42 1916.81 1920.57 1959.49 1986.43 2004.49 2054.48 2062.49 2083.38 2086.59 2107.51 2113.94 2244.38 2259.97 2266.11 2270.98 2323.30 2346.99 2353.15 2373.83 2375.86 2388.26 2407.51 2413.59 2426.54 2449.40 2477.26 2561.05 2565.02 2568.51 2602.00 2606.92 2622.55 4598.81 4619.17 4695.58 4711.15 4747.12 4793.40 4831.90 4851.85 4855.65 4861.55 4868.98 4872.91 4893.93 4904.43 4908.48 4920.04 4923.83 4931.57 5501.70 5520.44 5521.73 0.420697 0.446251 0.447195 0.359522 -1989.919758 -1989.894205 -1989.893261 -1989.980933 2.940533D-04 MUNgauss RevisionA2.1 retrievium 21-Feb-2021 DUDE Cc1ccccc1NS(=O)(=O)c2ccc(cc2)NC(=S)Nc3ccc(cc3)OC C13936219 RHF 6-31G(d) (6D,10F) C1 427.102435 |X|Y|Z| 49.184014 29.900835 134.568599 58.275186 23 6 7 16 19 3 1 |36.858105| |12.600385|36.858105| |7.567350|13.710810|36.858105| |5.011099|7.869459|13.760568|36.858105| |4.419029|6.805582|7.955045|13.768989|36.858105| |4.989635|7.864004|6.905289|7.958306|13.768539|36.858105| |7.492455|13.639674|7.984218|6.886181|7.934700|13.729727|36.858105| |6.537500|7.780215|5.147290|4.543446|5.155558|7.864689|13.350599|53.358707| |4.660419|5.087486|3.863460|3.594989|4.112886|5.712947|7.020760|15.789742|388.023441| |4.018046|4.029189|3.158602|2.920290|3.238033|4.202052|5.017279|10.664207|94.762099|73.516695| |3.766328|4.400241|3.623304|3.624838|4.427210|6.176529|6.166834|10.434684|94.892992|13.572291|73.516695| |4.845746|4.910358|3.835908|3.451131|3.687791|4.599078|5.672904|9.436429|76.513122|13.061894|13.125094|36.858105| |4.599526|4.171110|3.325408|2.925774|3.007552|3.579167|4.409958|7.282481|49.504729|11.558190|8.887801|13.713206|36.858105| |4.043863|3.618723|3.046314|2.685912|2.685671|3.043153|3.610974|5.451999|33.674137|7.874987|6.852338|7.951472|13.804250|36.858105| |3.781767|3.561471|3.129225|2.805212|2.780607|3.059432|3.506795|4.957440|29.912886|6.573758|6.581649|6.905539|7.956982|13.719464|36.858105| |3.905004|3.978262|3.533137|3.249841|3.284650|3.619675|4.041316|5.492698|33.688607|6.819709|7.847466|7.976337|6.876492|7.920483|13.750501|36.858105| |4.380077|4.732708|3.978382|3.695695|3.928342|4.634906|5.257707|7.363010|49.524075|8.816894|11.489981|13.764645|7.903568|6.847359|7.931980|13.761671|36.858105| |3.134653|2.942833|2.699584|2.451180|2.392049|2.547531|2.838547|3.924554|22.785989|5.185192|5.201086|4.563122|5.150659|7.798105|13.439354|7.905229|5.170804|53.358707| |3.032291|2.762796|2.574672|2.307817|2.203634|2.310308|2.585163|3.535472|19.668948|4.568647|4.459905|3.701210|4.233539|5.989712|7.651330|5.385209|3.994474|19.079425|36.858105| |3.527584|3.024047|2.791043|2.415669|2.255858|2.365549|2.721325|3.711564|19.738981|4.638680|4.348067|3.607925|4.233098|5.649673|6.013794|4.520748|3.680531|9.674049|11.399836|388.023441| |2.514425|2.338865|2.228269|2.039497|1.953117|2.020062|2.208391|3.003683|16.680966|3.913729|3.876788|2.995670|3.317012|4.334791|5.265696|4.195520|3.248891|11.537918|14.140449|50.832797|53.358707| |2.274045|2.101144|2.028484|1.858039|1.763927|1.805871|1.965363|2.659859|14.470527|3.436196|3.370748|2.499388|2.749177|3.413143|3.862057|3.243202|2.654577|7.155816|7.695898|43.336850|18.158002|36.858105| |2.071565|1.901219|1.822227|1.672556|1.599026|1.647171|1.792884|2.459596|13.412674|3.248479|3.113181|2.272938|2.536252|3.097371|3.313791|2.780190|2.350615|5.780250|5.660431|35.659704|10.615043|13.708607|36.858105| |1.873344|1.723531|1.668641|1.538114|1.465160|1.498146|1.620666|2.212559|11.918679|2.899044|2.781258|1.971034|2.169961|2.561472|2.698031|2.339764|2.028156|4.461318|4.118423|28.182570|7.000374|7.938701|13.846677|36.858105| |1.832201|1.696890|1.667285|1.541281|1.455664|1.471625|1.582754|2.132475|11.349959|2.736312|2.666324|1.860617|2.011560|2.337266|2.496173|2.221744|1.934435|4.064608|3.704749|25.955815|6.164846|6.855586|7.936293|13.666369|36.858105| |1.967543|1.834109|1.820534|1.682387|1.576364|1.581091|1.697243|2.258511|11.966164|2.844959|2.821936|1.978168|2.112287|2.463510|2.705738|2.436551|2.092689|4.464086|4.131647|28.507440|6.986000|7.919561|6.874359|7.924805|13.741262|36.858105| |2.202102|2.053705|2.025830|1.863356|1.747444|1.760315|1.899378|2.525187|13.495134|3.176498|3.173819|2.287145|2.449557|2.934949|3.336272|2.952426|2.456348|5.807035|5.721802|36.416138|10.652169|13.827735|7.973342|6.897541|7.944172|13.719441|36.858105| |1.655517|1.538142|1.518033|1.410360|1.333062|1.343563|1.437802|1.937211|10.254371|2.486096|2.417666|1.652020|1.775128|2.021404|2.127583|1.923096|1.705794|3.360235|2.946675|21.093220|4.673653|4.622422|5.305594|8.211103|14.160519|7.877459|5.204388|73.516695| |1.587543|1.485434|1.483045|1.384150|1.301486|1.300274|1.383218|1.847342|9.695338|2.339359|2.298851|1.546941|1.640996|1.843555|1.948930|1.795085|1.604970|3.028331|2.606231|18.833083|4.035633|3.793296|3.990403|5.260985|8.016005|6.729047|4.516703|24.187510|36.858105| |17.513827|8.800414|5.924245|4.302994|3.950723|4.540002|6.573613|8.780869|31.738743|7.293128|6.334061|4.303933|4.213099|3.632188|3.288887|3.325722|3.742246|3.771529|2.697728|22.274012|3.094952|2.082461|1.931364|1.761712|1.716195|1.819382|2.008949|2.782010|1.500044|0.500000| |17.571547|8.805953|5.841559|4.271080|3.946128|4.560247|6.668927|8.993360|37.116387|7.986343|7.136753|6.062228|6.054449|5.228682|4.689881|4.679404|5.216771|5.058238|3.545781|29.695523|3.872199|2.520531|2.287006|2.034707|1.965668|2.107699|2.393878|3.124082|1.666808|0.301464|0.500000| |17.602051|8.878296|7.325834|4.782545|3.977480|4.170399|5.558953|6.519253|26.477108|5.850621|5.605610|3.999461|3.913480|3.670288|3.538180|3.591653|3.804086|4.162621|3.060172|26.163199|3.478252|2.350687|2.129660|1.941187|1.920028|2.077077|2.313513|3.086872|1.675593|0.302979|0.302837|0.500000| |7.061464|8.947320|17.712674|8.940620|5.658524|4.968409|5.667255|5.671623|23.359106|4.954410|5.431442|3.378705|3.058889|2.894647|2.988544|3.275370|3.508400|3.607277|2.596105|20.489391|3.072974|2.084859|1.867393|1.721614|1.735900|1.906119|2.109800|2.814131|1.555610|0.155019|0.151809|0.227404|0.500000| |4.095632|5.621211|8.925963|17.716562|8.907998|5.651014|4.958821|4.921924|21.346145|4.461242|5.436005|2.937782|2.552158|2.397850|2.530931|2.898854|3.178570|3.089534|2.163200|16.039394|2.642795|1.788453|1.608596|1.490885|1.507063|1.651555|1.816048|2.463155|1.370443|0.099950|0.099070|0.114044|0.216034|0.500000| |3.537064|4.917289|5.648209|8.902318|17.722036|8.936335|5.647851|5.695523|25.404803|5.139095|7.131272|3.206387|2.650353|2.397125|2.498088|2.942005|3.450052|2.976569|2.014974|14.468394|2.467617|1.645079|1.496174|1.377305|1.371593|1.483183|1.635333|2.242795|1.235708|0.090050|0.089934|0.090541|0.124251|0.214047|0.500000| |4.082158|5.629071|4.973171|5.650080|8.894745|17.769860|8.962865|9.922196|42.803906|7.903713|13.235230|4.453232|3.443903|2.896404|2.886759|3.403823|4.407726|3.281415|2.167250|15.537664|2.602651|1.707921|1.569200|1.427912|1.396397|1.491052|1.655192|2.272417|1.234508|0.107180|0.107790|0.096045|0.107861|0.124022|0.214498|0.500000| |7.209959|7.137322|4.740922|4.020602|4.296629|5.858905|9.145589|25.972605|61.343553|13.721956|10.191399|6.069794|5.323353|3.989174|3.492273|3.676102|4.628866|3.813940|2.575738|19.746493|2.970657|1.950538|1.819720|1.641925|1.577625|1.660257|1.846179|2.553885|1.367018|0.223810|0.201977|0.142476|0.111629|0.091283|0.098951|0.150505|0.500000| |4.385320|3.863992|3.068143|2.700740|2.784405|3.330562|4.112237|7.164562|47.316323|13.372117|8.226208|8.914096|17.755276|8.932244|5.653258|4.957085|5.638513|5.672318|3.634267|26.815135|4.000589|2.511263|2.374130|2.058964|1.901618|1.969419|2.243115|3.014339|1.566657|0.118465|0.155516|0.103144|0.078845|0.065714|0.068554|0.090215|0.155794|0.500000| |3.618261|3.157434|2.704868|2.386815|2.365196|2.641718|3.101289|4.673564|27.819224|6.895924|5.753778|5.651477|8.930379|17.779823|8.923720|5.646552|4.943629|9.715100|6.229405|43.760095|6.184256|3.639953|3.412242|2.787450|2.485382|2.568625|3.039642|3.808559|1.926888|0.092948|0.126539|0.093639|0.072743|0.059972|0.059175|0.070127|0.097741|0.214782|0.500000| |3.452125|3.611062|3.383325|3.204164|3.208324|3.388782|3.617606|4.721848|27.823112|5.718627|6.854783|5.662640|4.954060|5.639799|8.922457|17.719802|8.926146|9.902045|5.168200|29.677564|5.814493|3.301361|2.769649|2.342944|2.257178|2.517125|3.076683|3.466064|1.833402|0.081962|0.109754|0.090878|0.088238|0.081249|0.081362|0.088471|0.087668|0.107597|0.124242|0.500000| |4.069722|4.760482|4.159017|4.089316|4.564292|5.389627|5.578521|7.297960|47.207869|8.121065|13.077118|8.918814|5.633435|4.942395|5.643374|8.909396|17.763313|5.704282|3.377768|22.279396|3.891983|2.389243|2.121490|1.857671|1.791671|1.943592|2.254995|2.833212|1.513617|0.097338|0.126175|0.098852|0.099162|0.097024|0.112504|0.144762|0.121896|0.124140|0.107430|0.214782|0.500000| |2.778949|2.685543|2.507249|2.330306|2.296308|2.423058|2.631609|3.612713|21.185823|4.807759|5.000758|4.098762|4.379661|5.967887|9.328723|7.255847|4.815282|26.011960|9.457364|38.129543|10.995685|5.040012|4.065114|3.169367|2.908623|3.207918|4.162768|4.291387|2.184639|0.068792|0.089116|0.075290|0.068086|0.060497|0.059115|0.064368|0.070826|0.100523|0.151868|0.210097|0.113083|0.500000| |2.330379|2.209065|2.108266|1.959167|1.899028|1.965877|2.121756|2.896118|16.347701|3.834652|3.857703|2.923001|3.185216|4.096289|5.052790|4.159595|3.211941|10.996629|9.463551|38.112569|26.001591|9.215273|6.577244|4.589450|4.048817|4.484467|6.321636|5.624377|2.754400|0.058833|0.072783|0.065016|0.058738|0.051889|0.049358|0.052176|0.057979|0.078287|0.117022|0.120390|0.079267|0.257049|0.500000| |2.067026|1.891531|1.790942|1.644170|1.586003|1.650201|1.801993|2.506029|13.837895|3.389328|3.194989|2.353364|2.673794|3.299087|3.438312|2.824011|2.399324|5.959820|5.603170|34.611184|9.762253|8.920568|17.724366|8.952199|5.643773|4.953324|5.667314|7.615698|3.332769|0.053893|0.063906|0.058311|0.050541|0.043649|0.041202|0.043920|0.051651|0.070052|0.103849|0.076770|0.059661|0.115725|0.178577|0.500000| |1.747887|1.607145|1.550875|1.433231|1.371608|1.406731|1.519761|2.088556|11.262873|2.767065|2.627675|1.840362|2.031906|2.366864|2.441460|2.127053|1.872424|3.933628|3.498882|24.364403|5.662517|5.635739|8.904584|17.743776|8.950508|5.656619|4.966994|13.506246|4.876457|0.046108|0.052550|0.050089|0.044321|0.038573|0.035900|0.037409|0.043216|0.054223|0.072057|0.058715|0.047776|0.077741|0.106602|0.214207|0.500000| |1.895497|1.780919|1.790508|1.663168|1.549462|1.539448|1.641717|2.165092|11.371241|2.693081|2.698064|1.857671|1.956974|2.242919|2.463478|2.270651|1.972947|3.958716|3.534402|24.862521|5.686101|5.657901|4.956974|5.627164|8.866265|17.768498|8.954682|12.479893|7.446289|0.048691|0.055718|0.055953|0.052416|0.045745|0.040639|0.040246|0.044122|0.050769|0.064117|0.065683|0.051469|0.079499|0.104231|0.107603|0.124092|0.500000| |2.314656|2.185085|2.183076|2.013274|1.873979|1.869893|2.008161|2.632263|13.992574|3.246711|3.312929|2.380079|2.499993|2.973087|3.480149|3.170090|2.609852|6.005762|5.701750|35.816956|9.800079|8.969910|5.665354|4.965812|5.651931|8.921671|17.730933|7.452221|3.908849|0.057940|0.069553|0.067902|0.063411|0.054766|0.048695|0.048556|0.053043|0.062842|0.083211|0.094108|0.067054|0.120973|0.167109|0.124585|0.107780|0.216705|0.500000| |1.549675|1.464433|1.469605|1.381088|1.300408|1.294036|1.368040|1.819889|9.578937|2.299731|2.286848|1.529022|1.608569|1.805190|1.930971|1.796060|1.600656|3.012882|2.563113|18.039701|4.021304|3.731124|3.782471|4.744575|7.012951|6.724293|4.571028|16.435722|17.560224|0.040521|0.045130|0.045316|0.042729|0.038114|0.034421|0.034166|0.037209|0.042436|0.051944|0.051477|0.042141|0.061170|0.077497|0.087879|0.119517|0.224592|0.112795|0.500000| |1.675819|1.560532|1.564913|1.452694|1.355614|1.349791|1.440466|1.913859|9.958542|2.395751|2.353640|1.587872|1.682169|1.884992|1.991094|1.837888|1.646614|3.070310|2.661054|19.797784|4.031298|3.753080|3.810909|4.783778|7.061341|6.740050|4.588447|16.441664|17.565051|0.043899|0.048685|0.049582|0.045953|0.040032|0.035645|0.035422|0.039416|0.044587|0.054564|0.052068|0.043139|0.060898|0.075164|0.088556|0.120524|0.223080|0.113061|0.298816|0.500000| 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