Version2.2 2021-02-18T08:24:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 05-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](C(=O)Nc1cccc2c1cccc2)OC(=O)c3ccccc3NS(=O)(=O)C C04486723 RHF 6-31G(d) (6D,7F) C[C@H](C(=O)Nc1cccc2c1cccc2)OC(=O)c3ccccc3NS(=O)(=O)C C01[X(C21H20N2O5S1)] 141 C1 479 C[C@H](C(=O)Nc1cccc2c1cccc2)OC(=O)c1ccccc1NS(=O)(=O)C C[C@H](C(=O)Nc1cccc2c1cccc2)OC(=O)c1ccccc1NS(=O)(=O)C C[C@@H](OC(=O)c1ccccc1N[S](C)(=O)=O)C(=O)Nc2cccc3ccccc23 InChIKey=SHUUGHLKPNZCAU-CQSZACIVSA-N InChI=1S/C21H20N2O5S/c1-14(20(24)22-18-13-7-9-15-8-3-4-10-16(15)18)28-21(25)17-11-5-6-12-19(17)23-29(2,26)27/h3-14,23H,1-2H3,(H,22,24)/t14-/m1/s1 InChI=1/C21H20N2O5S/c1-14(20(24)22-18-13-7-9-15-8-3-4-10-16(15)18)28-21(25)17-11-5-6-12-19(17)23-29(2,26)27/h3-14,23H,1-2H3,(H,22,24)/t14-/m1/s1/f/h22H C[C@H](C(=O)Nc1cccc2c1cccc2)OC(=O)c3ccccc3NS(=O)(=O)C C01[X(C21H20N2O5S1)] 141 C01 479 C[C@H](C(=O)Nc1cccc2c1cccc2)OC(=O)c1ccccc1NS(=O)(=O)C O=C([C@H](OC(=O)[C]1[CH][CH][CH][CH][C]1NS(=O)(=O)C)C)N[C]1=[CH][CH]=[CH][C]2[C]1[CH]=[CH][CH]=[CH]2 C[C@@H](OC(=O)[C]1[CH][CH][CH][CH][C]1N[S](C)(=O)=O)C(=O)NC2=CC=C[C]3C=CC=C[C]23 InChIKey=SHUUGHLKPNZCAU-CQSZACIVSA-N InChI=1S/C21H20N2O5S/c1-14(20(24)22-18-13-7-9-15-8-3-4-10-16(15)18)28-21(25)17-11-5-6-12-19(17)23-29(2,26)27/h3-14,23H,1-2H3,(H,22,24)/t14-/m1/s1 InChI=1/C21H20N2O5S/c1-14(20(24)22-18-13-7-9-15-8-3-4-10-16(15)18)28-21(25)17-11-5-6-12-19(17)23-29(2,26)27/h3-14,23H,1-2H3,(H,22,24)/t14-/m1/s1/f/h22H 2778.9438488982 -1687.5860822 1-A 19071.4463 108 371 479 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.21175 -20.62955 -20.57304 -20.55392 -20.55173 -20.54524 -15.61490 -15.60849 -11.40939 -11.36943 -11.32405 -11.31947 -11.29007 -11.26979 -11.26368 -11.25961 -11.25815 -11.25561 -11.25180 -11.24649 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475.1418 483.0428 496.7535 516.0213 529.3611 533.9304 559.6137 565.7758 574.7598 587.8514 598.9721 626.7088 665.8765 679.0677 696.1068 710.9061 746.4226 766.1438 784.1739 819.1864 825.2002 830.8636 845.7824 855.0114 857.0291 866.5235 896.7911 898.2517 904.9746 948.6040 960.0300 965.5782 981.2159 1004.9407 1022.5968 1029.6195 1050.7616 1082.5897 1088.4060 1099.4889 1103.4219 1110.1724 1122.2478 1123.1165 1140.0651 1141.6115 1153.1858 1160.1439 1168.8720 1196.9967 1216.5184 1221.0967 1232.8250 1253.1165 1265.5303 1279.4003 1285.5878 1296.9187 1311.4155 1323.2253 1333.0686 1354.1105 1379.8868 1395.6827 1435.4630 1454.3442 1468.8311 1479.8913 1481.2684 1497.2314 1527.2179 1547.0574 1553.6276 1565.8029 1597.1785 1599.9663 1602.7539 1611.0038 1624.6054 1629.9802 1635.8095 1643.0603 1677.4328 1685.6847 1719.1228 1779.8661 1787.5944 1805.5117 1810.3474 1843.5320 1941.3276 1988.0971 3223.6500 3245.5945 3289.1833 3300.4935 3318.2373 3343.5515 3351.3754 3357.5732 3362.8136 3368.3473 3372.5156 3383.2702 3385.1992 3393.2769 3394.2795 3424.9917 3426.4023 3441.8791 3773.0480 3881.4246 5.9940 5.8096 5.2153 5.6949 6.6897 7.3831 4.7743 4.5231 5.4264 6.0154 5.9436 4.6025 4.6962 5.1034 4.1618 4.0163 1.1834 3.4847 2.1224 1.5829 4.7444 6.7106 5.2157 8.0246 4.7164 4.5416 5.7454 6.6313 3.6435 3.9069 3.6432 4.2528 3.3334 1.1802 6.7198 7.0226 6.4424 5.5945 3.4289 5.7311 3.4986 5.7939 3.8055 3.5577 2.9035 2.3109 4.6645 4.7688 5.3138 1.4092 4.2778 3.8636 5.1410 1.7890 2.2070 2.6131 1.4978 4.8880 4.0458 4.5794 1.8737 2.2688 1.8208 2.0579 2.0610 2.4240 3.9960 1.3483 1.4565 1.3972 1.3353 1.3601 1.3406 2.3651 1.3624 3.0008 2.6716 3.2550 2.2148 2.4500 1.8583 2.7312 2.3960 4.7907 1.8045 1.9812 1.2822 1.3720 1.8710 1.6122 2.2434 1.6818 2.1587 2.1517 4.1573 2.4100 4.9966 5.0395 1.6867 1.2412 1.7559 1.4242 1.3127 1.1518 1.0580 2.0222 1.6691 1.9819 2.1845 1.0742 1.0585 2.7209 1.9125 2.1349 4.0866 6.6593 5.1442 4.7540 5.5967 11.0130 9.7632 1.0367 1.0314 1.0960 1.0944 1.1039 1.1066 1.1086 1.0875 1.0884 1.0903 1.0898 1.0956 1.0965 1.0952 1.0973 1.0943 1.0947 1.0939 1.0773 1.0779 0.0002 0.0003 0.0011 0.0026 0.0071 0.0130 0.0116 0.0137 0.0210 0.0286 0.0563 0.0601 0.0839 0.1020 0.0895 0.1186 0.0396 0.1263 0.0819 0.0620 0.2291 0.3878 0.3458 0.5457 0.3640 0.3724 0.5240 0.6969 0.4584 0.5197 0.5008 0.6183 0.5230 0.1949 1.1287 1.2958 1.2150 1.0889 0.6981 1.2114 0.8096 1.5136 1.0339 1.0157 0.8646 0.7586 1.6131 1.7278 2.1010 0.5654 1.7399 1.6284 2.2143 0.7742 0.9764 1.2382 0.7120 2.3586 2.1450 2.4867 1.0293 1.2870 1.0834 1.2679 1.2873 1.5768 2.7593 0.9411 1.0374 1.0023 0.9697 1.0092 0.9964 1.8112 1.0461 2.3512 2.1185 2.6202 1.8697 2.1363 1.6325 2.4457 2.2167 4.5206 1.7402 1.9292 1.2707 1.3902 1.9302 1.6880 2.4236 1.8868 2.4775 2.6122 5.1808 3.0635 6.4474 6.5149 2.2277 1.7057 2.4760 2.0254 1.8963 1.7312 1.5957 3.0606 2.5523 3.0820 3.4196 1.6936 1.6836 4.5108 3.2019 3.7174 7.6277 12.5377 9.8802 9.1799 11.2068 24.4542 22.7362 6.3476 6.4015 6.9862 7.0239 7.1613 7.2891 7.3359 7.2230 7.2515 7.2881 7.3028 7.3885 7.4033 7.4297 7.4487 7.5631 7.5721 7.6353 9.0357 9.5678 0.3486 1.8127 3.7020 1.3673 5.0264 0.3828 4.1870 0.1124 4.8226 1.6001 1.8892 1.6749 1.6641 2.4870 1.6806 8.7296 1.1609 3.5418 0.8692 0.9258 6.6688 2.1181 1.2008 8.6718 6.2611 3.4461 23.6056 2.3768 3.1580 8.4020 5.0049 8.8679 1.2799 80.9602 11.4695 53.0194 0.6765 36.7158 12.0166 62.6679 11.1845 17.8378 17.1722 8.0616 45.5146 67.4472 3.1575 12.6684 6.4611 1.8472 11.9742 105.0206 5.6281 81.9840 33.7507 1.1660 70.6291 29.3644 3.4663 15.5293 14.8738 9.2983 29.0987 59.6222 38.0757 10.8978 2.0691 0.4014 88.7731 34.8778 1.1837 6.0569 0.2898 3.5043 2.0557 6.0602 30.8808 2.2847 2.9640 2.1470 4.3169 219.7812 348.0662 140.6173 38.5561 142.1555 9.6435 0.8041 158.6223 57.1178 37.4107 64.9292 51.3484 44.2012 1083.1260 25.5703 2.7215 110.9507 7.1545 15.1969 27.9816 19.1711 7.6454 51.0040 2.5006 12.2400 52.6333 57.5380 1.2962 5.6861 4.1932 86.9901 205.4504 517.5729 103.3721 8.8713 46.6974 17.0187 2.0944 405.2112 221.3610 15.4360 1.1601 1.9035 45.4449 10.8832 1.1015 1.7695 0.3372 2.3452 6.5903 9.1021 26.7983 54.7439 17.8655 22.3269 4.1041 2.5314 2.7500 233.3518 34.0020 2.1965 7.1713 0.9417 4.9425 4.7580 1.4964 3.7715 1.6987 1.7292 1.2068 2.0094 3.0297 0.5576 1.5519 0.3855 0.6831 0.2517 0.3276 1.1711 0.8028 1.0695 2.2685 1.7269 0.5548 1.2171 0.3820 2.9938 2.8161 3.5190 2.6376 1.6993 1.9376 0.3435 10.4688 1.3116 5.1440 6.3775 4.9231 1.0428 7.5143 1.3902 1.1278 1.0942 0.3947 17.6408 3.8831 8.6290 1.4341 5.4267 4.7602 2.6089 9.6246 1.0618 1.2292 5.6249 0.3785 1.1389 5.7612 14.9669 1.7845 10.3555 3.0625 1.3679 8.4208 5.8630 5.7849 10.1488 1.0371 5.8820 4.6889 1.4016 0.7063 1.9962 3.5447 0.4714 6.3226 47.8904 5.5236 3.9742 6.5673 6.0108 24.5654 3.3460 6.1713 9.3844 8.1791 11.6121 1.7205 2.8441 0.8112 37.0232 6.2328 2.8128 10.4822 20.7319 7.4446 292.5103 7.5237 30.1744 0.4779 11.5674 5.7313 3.2506 23.9831 9.4557 26.9741 2.7149 21.4608 16.0207 12.3532 13.5607 10.5267 2.9521 14.1344 23.9157 157.4237 64.1732 5.4062 2.9773 34.1321 20.7615 114.1188 104.9945 57.8732 47.9138 53.0302 82.1722 39.4919 28.6218 24.6633 156.1358 83.4971 99.4478 167.0473 149.1051 240.3378 96.2162 86.9396 77.7593 52.9333 52.7695 0.7398 0.7499 0.7298 0.7496 0.6918 0.7473 0.7306 0.7305 0.7481 0.7493 0.7366 0.7443 0.7383 0.2113 0.5613 0.2880 0.2926 0.4818 0.7474 0.7248 0.7475 0.6424 0.7262 0.4571 0.5558 0.3839 0.5076 0.5916 0.6117 0.4422 0.5194 0.2508 0.6776 0.3261 0.7319 0.4060 0.6753 0.6121 0.7450 0.3812 0.7497 0.5953 0.7202 0.6428 0.1313 0.5222 0.1956 0.2562 0.2752 0.5426 0.2511 0.0576 0.1830 0.6626 0.6699 0.4390 0.6959 0.3894 0.1146 0.5131 0.0587 0.1999 0.4735 0.7412 0.5689 0.1870 0.2407 0.7310 0.7338 0.4882 0.5756 0.7496 0.7339 0.5824 0.1957 0.1177 0.2221 0.3658 0.3160 0.6202 0.7491 0.5949 0.7484 0.2874 0.3447 0.5638 0.3037 0.6293 0.6269 0.5379 0.1164 0.4789 0.3788 0.1657 0.1691 0.5003 0.1581 0.4523 0.1686 0.5969 0.1763 0.5066 0.7065 0.7300 0.7368 0.4653 0.3866 0.1873 0.2905 0.7498 0.7262 0.2881 0.5248 0.5688 0.1566 0.4674 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13.76 26.98 40.09 60.92 78.62 92.57 103.31 116.55 129.22 182.44 214.16 250.54 264.99 274.87 322.08 342.72 356.83 368.25 371.04 411.93 450.61 482.62 488.82 520.74 536.73 566.10 607.65 664.86 683.62 694.99 714.72 742.44 761.63 768.21 805.16 814.03 826.95 845.79 861.79 901.69 958.05 977.03 1001.54 1022.84 1073.94 1102.31 1128.25 1178.63 1187.28 1195.43 1216.89 1230.17 1233.07 1246.73 1290.28 1292.38 1302.06 1364.83 1381.27 1389.25 1411.75 1445.89 1471.29 1481.39 1511.81 1557.61 1565.97 1581.92 1587.58 1597.29 1614.66 1615.91 1640.30 1642.52 1659.18 1669.19 1681.75 1722.21 1750.30 1756.89 1773.76 1802.96 1820.82 1840.77 1849.67 1865.98 1886.83 1903.83 1917.99 1948.26 1985.35 2008.08 2065.31 2092.48 2113.32 2129.23 2131.21 2154.18 2197.33 2225.87 2235.32 2252.84 2297.98 2301.99 2306.01 2317.88 2337.44 2345.18 2353.57 2364.00 2413.45 2425.32 2473.43 2560.83 2571.95 2597.73 2604.69 2652.43 2793.14 2860.43 4638.11 4669.69 4732.40 4748.67 4774.20 4810.62 4821.88 4830.80 4838.34 4846.30 4852.30 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|2.760257|3.112306|0.087139|3.921044|6.585642|6.958968|7.807236|6.821111|7.912880|13.425535|36.858105| |3.362482|3.969261|0.113040|5.221408|8.187886|10.605079|13.322756|7.863440|6.798631|7.787782|13.502089|36.858105| |3.227072|3.904196|0.118602|4.685567|7.087788|8.994904|7.593004|5.095001|4.511246|5.101207|7.829079|13.396357|36.858105| |2.641154|3.083772|0.093339|3.518811|5.560210|6.114602|5.088298|3.933178|3.785706|4.521571|6.816976|7.868673|14.017509|36.858105| |2.317607|2.625241|0.077057|3.024316|4.964019|5.092266|4.494874|3.778587|3.947504|5.127448|7.876258|6.781592|7.913414|13.473696|36.858105| |2.356817|2.636261|0.075315|3.139827|5.272090|5.308139|5.094705|4.522070|5.137243|7.701778|13.415910|7.804062|6.855208|7.942591|14.032546|36.858105| |7.887959|13.456746|0.259703|8.115409|12.721229|7.403725|3.998674|3.556440|2.833680|2.559487|2.706797|3.316113|3.298463|2.711772|2.344779|2.345399|73.516695| |6.068367|8.068126|0.211607|5.350205|8.534052|5.693118|3.241732|2.889474|2.394164|2.216684|2.363269|2.837225|2.923815|2.483917|2.145226|2.107356|25.667829|36.858105| |5.859094|7.156270|0.223626|4.687592|7.153416|5.396628|3.075540|2.702700|2.262110|2.124583|2.292800|2.755731|2.913554|2.499490|2.137344|2.070714|15.349680|15.884122|73.516695| |4.335252|5.193255|0.134538|4.126636|7.192426|4.525852|2.742847|2.520216|2.147063|1.996142|2.099969|2.447680|2.502300|2.183442|1.923832|1.896536|14.514718|12.815590|14.170573|36.858105| |3.956788|4.680185|0.115122|4.115767|7.763079|4.423003|2.757891|2.601519|2.225880|2.045675|2.116009|2.434129|2.426030|2.117977|1.896038|1.896899|12.723435|7.674178|9.395302|13.634425|36.858105| |3.102460|3.499493|0.088780|3.219117|6.135096|3.625572|2.347405|2.251511|1.978702|1.834341|1.882337|2.115770|2.108333|1.881094|1.709217|1.710954|8.387110|5.064748|7.060622|7.877809|13.834374|36.858105| |2.738259|3.024716|0.079455|2.730638|5.036332|3.176681|2.067977|1.970923|1.753327|1.646594|1.700325|1.899232|1.921399|1.739877|1.581291|1.567623|6.926964|4.473618|6.682928|6.871039|8.006558|13.743157|36.858105| |2.844060|3.136128|0.084636|2.722978|4.853623|3.201961|2.054877|1.929460|1.709806|1.616377|1.687219|1.899511|1.951758|1.769858|1.592719|1.563179|7.139474|5.023817|7.842878|7.894971|6.885795|7.902351|13.795407|36.858105| |3.456658|3.903960|0.106664|3.205550|5.547651|3.715717|2.315672|2.137249|1.862618|1.756691|1.851356|2.122532|2.199474|1.966437|1.743288|1.703280|9.286362|7.529120|11.549534|13.532653|7.869197|6.797227|7.915917|13.671657|36.858105| |3.337223|3.678274|0.105645|2.960019|4.960024|3.546756|2.205749|2.015084|1.764319|1.680318|1.786720|2.050186|2.160340|1.948481|1.716787|1.659617|8.045477|6.557143|12.536863|7.803251|5.134870|4.527589|5.158494|7.837658|13.558897|53.358707| |2.647881|2.891662|0.084691|2.438247|4.097504|3.029209|1.932712|1.767260|1.575889|1.522690|1.626132|1.840700|1.964170|1.813368|1.605857|1.537008|5.944226|4.331080|8.419319|4.848517|3.737619|3.552059|4.180617|5.940863|6.978321|15.780378|388.023441| |2.618967|2.795494|0.083713|2.337450|3.862440|2.961151|1.887425|1.718501|1.535087|1.489791|1.597682|1.808693|1.944759|1.804840|1.594042|1.517396|5.484105|3.904845|8.130321|3.970913|3.121338|2.903857|3.250700|4.234865|5.026882|10.664987|94.908606|73.516695| |2.318610|2.485137|0.070996|2.151878|3.693568|2.670588|1.733446|1.609594|1.449533|1.398525|1.478231|1.650708|1.739559|1.617767|1.453227|1.400707|5.109511|3.554663|6.537781|4.176886|3.462932|3.515026|4.405347|6.286044|5.999439|10.308393|94.831245|13.638732|73.516695| |2.494317|2.839425|0.084481|2.471953|4.151741|3.119174|2.008949|1.815014|1.627174|1.591048|1.719588|1.949115|2.117275|1.974129|1.734693|1.640660|5.791394|4.056651|7.641909|4.469252|3.613245|3.446025|3.926906|5.087318|5.707960|9.539981|76.408980|13.023294|13.099229|36.858105| |17.602708|8.859337|0.214181|5.522822|8.225395|6.222086|3.469677|3.181787|2.580395|2.328444|2.430621|2.906549|2.872821|2.414217|2.120178|2.126869|12.553105|6.441744|12.103423|4.535909|3.919860|3.100981|2.813003|3.005051|3.728616|5.071303|20.623578|5.185100|4.467190|2.641459|0.500000| |17.560730|8.827170|0.210632|6.908319|9.553687|8.452937|4.536895|4.145384|3.211969|2.830571|2.939746|3.589753|3.401775|2.769632|2.437152|2.492033|10.104070|4.651831|8.374660|3.513058|3.253958|2.648923|2.374108|2.460728|2.922522|3.919983|16.871576|4.243288|3.712860|2.262046|0.301064|0.500000| |17.588940|8.868533|0.173812|6.969053|11.387830|7.021108|3.977994|3.868458|3.030187|2.615218|2.639254|3.131893|2.922816|2.422769|2.171741|2.243267|12.779714|5.405127|8.653491|4.215462|4.085197|3.227890|2.789956|2.821607|3.337064|4.243627|17.630054|4.288892|3.950003|2.326387|0.299470|0.300271|0.500000| |5.877010|7.691221|0.241058|9.432917|10.867707|26.084791|9.241508|5.954354|4.329836|4.038738|4.737796|7.139776|7.064653|4.770970|3.809616|3.806443|9.127889|4.184112|7.443939|3.249023|3.062737|2.522751|2.256397|2.318601|2.720521|3.630466|16.318949|4.057001|3.552480|2.360897|0.132525|0.181363|0.134557|0.500000| |4.306260|4.556756|0.110356|6.765102|13.317909|9.811174|9.033513|17.780869|8.838093|5.656573|4.929985|5.610044|4.129685|3.283063|3.127736|3.605218|6.776996|3.030047|4.961717|2.646489|2.766919|2.379841|2.060667|2.004132|2.219396|2.821701|12.768589|3.092463|2.919580|1.818239|0.096120|0.127068|0.125431|0.151598|0.500000| |2.781138|2.914352|0.075457|3.742280|7.106855|5.677214|5.657704|8.862577|17.724215|9.008030|5.622528|4.914089|3.596113|3.131391|3.292440|4.154820|4.619646|2.212486|3.703162|2.014150|2.108741|1.896930|1.681191|1.628525|1.757055|2.257586|10.552262|2.565568|2.447182|1.521519|0.066769|0.081821|0.079432|0.099803|0.214798|0.500000| |2.320105|2.497688|0.067887|3.066126|5.483278|4.905593|4.924712|5.624121|8.996148|17.713759|8.836352|5.580732|4.153506|3.944492|4.713013|7.083108|3.986630|1.973565|3.374104|1.801981|1.850817|1.682246|1.520707|1.489859|1.604248|2.092988|9.998974|2.447949|2.311470|1.469274|0.057307|0.068257|0.063780|0.091660|0.124138|0.215975|0.500000| |3.633541|4.604238|0.147981|5.292465|7.582102|10.114478|6.916879|4.642530|3.911948|4.135638|5.588112|8.789207|17.743088|9.065140|5.642591|4.945622|6.777891|3.396412|6.104644|2.825063|2.678287|2.288486|2.088675|2.147654|2.464979|3.320489|15.636952|3.879916|3.408129|2.381024|0.090223|0.105049|0.088849|0.244345|0.110164|0.089281|0.095642|0.500000| |2.500719|2.915510|0.089977|3.186888|5.026223|5.316085|4.125365|3.282224|3.131250|3.602477|4.923079|5.609541|9.019122|17.718204|8.828642|5.660020|4.629422|2.445202|4.441001|2.157503|2.065971|1.843681|1.725639|1.772020|1.970729|2.690456|13.266669|3.323129|2.943844|2.055220|0.064683|0.072217|0.063302|0.118001|0.078798|0.074091|0.089896|0.218951|0.500000| |2.063547|2.308693|0.067814|2.594714|4.301955|4.222904|3.585461|3.127203|3.294172|4.152914|5.608530|4.904739|5.647361|8.823651|17.720917|9.002989|3.723508|1.945953|3.464164|1.765351|1.737362|1.582963|1.477551|1.490589|1.619878|2.182190|10.793156|2.686356|2.453315|1.644739|0.053117|0.059995|0.053912|0.088238|0.074032|0.079050|0.111798|0.124466|0.213595|0.500000| |2.113672|2.321958|0.065693|2.728391|4.675547|4.447439|4.150603|3.946977|4.724116|7.101502|8.851161|5.590919|4.942173|5.635049|9.002759|17.709351|3.724658|1.895535|3.305779|1.727700|1.738532|1.585456|1.457608|1.447624|1.563068|2.071030|10.075540|2.485843|2.313841|1.507068|0.053356|0.061923|0.056518|0.088127|0.090003|0.111875|0.216055|0.107391|0.124161|0.216310|0.500000| |4.396534|5.341665|0.124094|4.950132|9.935773|5.055140|3.134065|2.986660|2.510140|2.267706|2.325272|2.692480|2.624702|2.254517|2.022909|2.048875|14.897574|7.185652|8.796034|8.945422|17.774309|8.956121|5.677156|4.963179|5.627182|5.677536|22.543449|4.895797|5.194875|3.122849|0.114980|0.099456|0.130190|0.094233|0.089681|0.065998|0.056500|0.080010|0.060217|0.051019|0.052000|0.500000| |2.849808|3.173504|0.079886|3.047468|5.983266|3.457001|2.287833|2.233472|1.982900|1.830631|1.856722|2.060986|2.026732|1.815840|1.669315|1.685716|7.282854|4.129440|5.922886|5.619083|8.938868|17.738945|8.882228|5.628413|4.914200|4.909487|21.133440|4.439791|5.294093|2.933895|0.077709|0.068642|0.083813|0.066015|0.065853|0.053283|0.046861|0.060255|0.049125|0.042993|0.043653|0.215451|0.500000| |2.384432|2.592189|0.068473|2.390472|4.431489|2.829516|1.873883|1.801646|1.623691|1.531072|1.573140|1.735814|1.751946|1.603366|1.470853|1.460250|5.705510|3.571762|5.527683|4.951042|5.674852|8.912286|17.716586|8.987644|5.648911|5.701074|26.130208|5.179481|7.234311|3.495183|0.067797|0.058399|0.067786|0.055838|0.052190|0.043517|0.039568|0.052377|0.044221|0.038399|0.037962|0.124511|0.213868|0.500000| |2.516238|2.723681|0.074648|2.385336|4.222862|2.865065|1.858830|1.748619|1.565370|1.490010|1.556062|1.737651|1.794248|1.646091|1.487826|1.454722|5.931014|4.089177|6.773572|5.631083|4.965648|5.639765|8.940633|17.799776|8.927693|9.788270|46.682930|8.011413|14.852015|5.279099|0.074364|0.061542|0.069003|0.058108|0.050197|0.041520|0.038374|0.054586|0.046060|0.038939|0.037580|0.107817|0.124049|0.217110|0.500000| |3.807078|4.196660|0.124220|3.232910|5.269513|3.883840|2.369001|2.139751|1.856052|1.766310|1.889705|2.192765|2.325366|2.078772|1.814004|1.748427|8.950694|7.696430|17.676321|7.410636|4.813585|4.030554|4.281643|5.773740|9.306710|25.884842|61.151010|13.776181|10.130822|6.059088|0.121542|0.090672|0.095673|0.082482|0.061077|0.048192|0.044662|0.073868|0.058627|0.046848|0.044284|0.114017|0.091484|0.098298|0.145685|0.500000| |2.688762|3.128230|0.095835|2.698457|4.443808|3.441162|2.192370|1.949605|1.737383|1.706275|1.865880|2.140255|2.364943|2.197108|1.900910|1.781065|6.269870|4.404752|8.621544|4.514785|3.592219|3.285720|3.556800|4.420856|5.300513|8.873487|57.458308|12.185672|9.702757|17.631345|0.078842|0.068002|0.068410|0.073291|0.053860|0.044759|0.043536|0.075093|0.064080|0.049888|0.045096|0.088330|0.078273|0.086980|0.120664|0.175666|0.500000| 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