Version2.0 2020-07-30T19:49:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 09-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NCc2ccco2 C03478581 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NCc2ccco2 C01[X(C17H19N3O7S1)] 135 C1 462 O=C(NC(=O)NCc1ccco1)COC(=O)CNS(=O)(=O)c1ccc(cc1)C O=C(NC(=O)NCc1ccco1)COC(=O)CNS(=O)(=O)c1ccc(cc1)C Cc1ccc(cc1)[S](=O)(=O)NCC(=O)OCC(=O)NC(=O)NCc2occc2 InChIKey=UOKYAHFEOQNKQA-UHFFFAOYSA-N InChI=1S/C17H19N3O7S/c1-12-4-6-14(7-5-12)28(24,25)19-10-16(22)27-11-15(21)20-17(23)18-9-13-3-2-8-26-13/h2-8,19H,9-11H2,1H3,(H2,18,20,21,23) InChI=1/C17H19N3O7S/c1-12-4-6-14(7-5-12)28(24,25)19-10-16(22)27-11-15(21)20-17(23)18-9-13-3-2-8-26-13/h2-8,19H,9-11H2,1H3,(H2,18,20,21,23)/f/h18,20H Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NCc2ccco2 C01[X(C17H19N3O7S1)] 135 C01 462 O=C(NC(=O)NCc1ccco1)COC(=O)CNS(=O)(=O)c1ccc(cc1)C O=C(NC(=O)NCC1=[CH][CH]=CO1)COC(=O)CNS(=O)(=O)[C]1[CH][CH][C]([CH][CH]1)C C[C]1[CH][CH][C]([CH][CH]1)[S](=O)(=O)NCC(=O)OCC(=O)NC(=O)NCc2occc2 InChIKey=UOKYAHFEOQNKQA-UHFFFAOYSA-N InChI=1S/C17H19N3O7S/c1-12-4-6-14(7-5-12)28(24,25)19-10-16(22)27-11-15(21)20-17(23)18-9-13-3-2-8-26-13/h2-8,19H,9-11H2,1H3,(H2,18,20,21,23) InChI=1/C17H19N3O7S/c1-12-4-6-14(7-5-12)28(24,25)19-10-16(22)27-11-15(21)20-17(23)18-9-13-3-2-8-26-13/h2-8,19H,9-11H2,1H3,(H2,18,20,21,23)/f/h18,20H 2549.9471005865 -1739.6678939 1-A 28039.5588 107 355 462 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.20657 -20.64270 -20.64118 -20.58227 -20.56191 -20.55156 -20.54930 -20.54246 -15.62745 -15.60242 -15.59976 -11.41068 -11.40059 -11.38433 -11.32910 -11.30146 -11.29684 -11.29599 -11.28710 -11.26813 -11.26466 -11.25945 -11.25935 -11.24508 -11.24444 -11.23892 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504.5960 531.8447 544.2036 549.9402 584.4461 618.9890 631.4759 644.6937 658.3775 663.9193 685.1630 696.1540 725.2887 736.3805 764.4629 785.6559 813.1280 841.4593 858.8345 875.1544 897.6764 922.9952 941.8236 954.6412 971.2259 1006.7070 1009.3999 1024.3125 1045.4414 1078.0196 1086.1997 1093.2802 1095.5667 1099.6968 1106.6233 1112.3594 1117.7926 1127.5814 1133.4623 1174.4039 1182.0448 1193.8517 1205.4384 1208.0459 1218.0385 1255.8152 1265.3121 1278.3938 1287.0682 1310.1318 1316.0727 1335.6622 1338.0249 1345.6992 1366.1103 1366.6579 1403.0236 1407.0969 1411.3393 1453.2345 1459.9316 1507.7559 1522.4082 1556.1477 1560.0375 1568.2791 1576.4611 1630.5151 1631.0185 1637.5102 1647.4918 1648.1884 1649.1884 1677.7154 1683.7174 1707.3489 1714.9588 1770.6483 1809.7398 1824.5970 1992.3934 2014.7069 2080.8719 3208.7973 3218.6804 3238.2761 3247.2130 3263.5851 3290.7201 3293.4122 3296.1269 3327.9101 3364.7633 3372.9819 3403.8586 3416.8681 3437.5494 3449.8355 3484.0061 3794.3465 3853.9860 3862.5377 6.7686 5.9450 5.1901 3.7699 3.6357 4.7977 1.3002 4.7743 5.7483 7.4609 7.1443 5.1116 4.3885 4.3623 6.1100 6.5646 4.9535 3.6985 4.0002 6.0601 4.9446 6.4084 6.5412 5.5339 5.4174 5.7830 4.4466 3.7882 5.0952 4.5068 2.8853 2.2835 4.3735 2.4472 1.4985 2.7779 1.6755 4.5179 3.6678 2.7346 3.0044 2.9547 3.2553 4.7784 6.9275 6.4460 4.5801 5.0773 3.5052 5.5484 7.0083 1.2813 5.2965 4.1049 1.3634 1.3538 1.2425 6.2636 5.3560 1.4390 3.2090 4.8776 2.2479 2.9870 1.5752 1.3195 4.1804 1.6529 1.3741 2.9076 2.1903 2.4683 1.5580 5.1709 2.7643 3.3024 2.6127 4.4375 4.1645 5.9352 1.7279 2.2208 1.4380 1.9613 3.3446 1.3903 3.1007 1.7574 1.3546 1.3675 1.3450 1.7837 3.7730 1.5889 1.7416 1.4614 2.4877 2.1789 1.3251 1.5057 1.0445 1.5230 1.0987 1.1773 1.0867 1.0842 2.2721 1.6983 2.0822 3.5373 5.7442 5.3169 6.3796 8.0367 12.0927 11.8816 1.0377 1.0723 1.0629 1.0591 1.1024 1.1025 1.1022 1.1072 1.0947 1.0910 1.0915 1.0948 1.0941 1.0943 1.0985 1.1065 1.0764 1.0783 1.0782 0.0001 0.0002 0.0012 0.0014 0.0020 0.0030 0.0010 0.0047 0.0084 0.0172 0.0184 0.0150 0.0230 0.0367 0.0678 0.0889 0.0844 0.0700 0.0880 0.1596 0.1578 0.2612 0.3136 0.3185 0.3353 0.3857 0.3035 0.2766 0.4667 0.4563 0.3529 0.2806 0.5874 0.3671 0.2497 0.4847 0.2986 0.9092 0.8280 0.6425 0.7357 0.7546 0.8454 1.3217 1.9781 1.9978 1.4633 1.7482 1.2748 2.1614 2.9237 0.5568 2.3900 1.9489 0.6844 0.7075 0.6671 3.4811 3.1981 0.8638 1.9838 3.1409 1.5392 2.0764 1.1093 0.9331 2.9786 1.1926 1.0017 2.1404 1.6408 1.8684 1.2661 4.2568 2.3213 2.8273 2.2465 3.8789 3.8696 5.5986 1.6638 2.1675 1.4543 2.0015 3.5155 1.4666 3.3083 1.9324 1.4906 1.5860 1.5689 2.0933 4.6947 1.9953 2.3327 1.9957 3.5493 3.1244 1.9202 2.2047 1.6361 2.3872 1.7357 1.8826 1.7393 1.7374 3.7681 2.8366 3.5761 6.1295 10.6106 10.2598 12.5134 18.7965 28.9198 30.3121 6.2954 6.5453 6.5671 6.5800 6.9182 7.0339 7.0438 7.0876 7.1430 7.2777 7.3165 7.4736 7.5261 7.6187 7.7029 7.9133 9.1308 9.4365 9.4779 1.4485 2.3361 2.4261 0.2094 2.8090 3.3496 0.0766 0.4077 7.6446 3.0439 0.8034 0.7964 0.8365 2.6791 1.9141 3.7142 12.5858 5.7970 4.3459 8.8845 1.0280 10.6281 2.1689 4.4205 3.4585 1.0801 3.9313 0.5273 0.8003 12.8836 5.7692 40.4121 41.9017 31.2227 79.5951 56.9400 109.4614 43.1925 89.6461 10.8391 147.2115 7.8737 30.0124 24.3662 0.3997 127.6421 14.2212 27.1916 12.6191 26.9969 38.5305 64.8573 1.0196 16.1847 28.3417 20.4734 1.2109 7.3035 176.2643 11.7632 37.2227 91.5003 4.1041 4.6037 4.6429 0.2279 4.5757 12.9209 0.5017 3.4491 2.5991 0.0205 5.2607 46.8603 32.1567 54.4845 65.5215 40.9976 209.9529 227.2616 16.5438 600.4275 4.4871 9.6584 5.5386 7.5055 22.2390 62.3406 66.6774 56.0523 100.4689 340.0271 130.6073 18.4852 493.0686 11.4283 3.2794 15.6806 2.4402 12.9585 5.4548 13.1179 13.8701 7.3265 30.7720 9.3198 7.7392 98.9510 920.6065 141.9260 4.4177 40.1976 2.2639 115.3790 336.9514 452.4548 29.8553 31.1149 18.3445 20.0970 23.3255 21.2518 4.9309 13.5301 6.4431 14.0542 14.7485 2.0540 0.9653 5.4653 1.1023 2.5468 123.2950 19.3783 55.5291 0.7470 1.0175 2.5637 4.6047 1.8535 0.6821 1.3555 4.5821 0.3216 1.1954 0.5316 0.9263 1.4753 0.6481 0.6115 1.1537 0.9882 0.3089 0.3503 0.2479 0.7031 2.5777 1.6255 5.3678 3.8181 0.6664 1.4614 0.3270 1.8372 0.7391 0.1127 0.6739 1.5545 2.0634 1.2059 1.1062 0.9858 0.6969 0.8993 0.5602 3.3568 1.2839 0.8267 2.1484 6.2530 3.2632 1.9799 1.2613 0.7070 2.1007 0.7485 2.0732 31.2933 1.4003 1.3276 2.0396 2.0780 5.6284 1.2813 2.4630 3.7973 2.1274 0.2847 6.8399 1.9030 0.9175 16.5579 1.5552 0.0717 0.7446 0.7964 0.2978 0.1051 26.3718 3.6916 5.9956 2.6902 5.0645 8.8245 16.6685 3.1879 0.3125 1.0945 1.5936 5.0777 16.1405 6.4551 7.1253 5.6982 4.3646 10.1766 3.9279 4.0955 0.5484 3.3699 4.8607 9.4903 2.0843 15.1735 2.7554 20.7072 3.2631 14.7397 5.8669 6.0732 9.9196 0.7710 3.1211 6.7124 73.6329 4.4287 56.2770 26.5899 1.6085 3.1342 15.0957 173.6855 101.0924 64.2027 59.4569 101.7382 62.6136 33.3891 30.9702 39.2717 81.3129 83.9077 74.6259 68.8659 80.1021 74.5176 114.8471 58.8060 14.9882 47.7801 0.7477 0.7471 0.7456 0.7494 0.7481 0.7413 0.7459 0.7500 0.7427 0.7454 0.6734 0.7242 0.7071 0.7498 0.1658 0.2080 0.6723 0.6586 0.4609 0.5560 0.4285 0.7484 0.5598 0.4674 0.3281 0.7088 0.7322 0.4087 0.6156 0.5986 0.6929 0.4439 0.5672 0.4624 0.7493 0.5967 0.7380 0.7283 0.5903 0.4746 0.1753 0.7482 0.7450 0.4239 0.7497 0.4363 0.7274 0.7164 0.6269 0.7120 0.6871 0.7354 0.0732 0.7115 0.7357 0.7484 0.7496 0.7498 0.6859 0.7320 0.1753 0.5213 0.5719 0.2064 0.7266 0.7475 0.1195 0.5030 0.7481 0.3324 0.2190 0.7035 0.7403 0.1898 0.1386 0.5269 0.2928 0.7495 0.0466 0.0701 0.4030 0.2482 0.4894 0.6981 0.2550 0.4076 0.7218 0.7310 0.5940 0.7433 0.7205 0.7464 0.7442 0.7183 0.3256 0.6040 0.6237 0.6132 0.4490 0.4813 0.7478 0.7095 0.7300 0.7485 0.7125 0.7385 0.7159 0.4443 0.1853 0.2658 0.7304 0.5555 0.3327 0.4180 0.6630 0.3063 0.0373 0.1336 0.0679 0.0686 0.7471 0.7499 0.6306 0.7256 0.4432 0.3972 0.3433 0.1941 0.1993 0.7457 0.1971 0.1585 0.2045 0.4111 0.1254 0.8556 0.8553 0.8542 0.8567 0.8559 0.8514 0.8545 0.8571 0.8524 0.8542 0.8049 0.8401 0.8284 0.8570 0.2844 0.3444 0.8040 0.7942 0.6310 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8 7 6 6 6 6 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 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 4190.2168 48667.7267 51241.7784 0.99996 0.00848 0.00004 -0.00848 0.99995 0.00515 0.00001 -0.00515 0.99999 1 0.02067 0.00178 0.00169 0.43070 0.03708 0.03522 8.19 11.67 28.18 35.89 43.98 46.95 52.97 58.67 71.72 90.09 95.03 101.51 135.77 171.88 197.51 218.09 244.73 257.82 278.08 304.16 334.87 378.44 410.41 449.68 466.33 484.05 489.73 506.53 567.30 596.44 655.57 657.06 686.95 726.00 765.21 782.99 791.24 840.89 890.59 908.55 927.57 947.26 955.23 985.80 1001.61 1043.53 1059.49 1099.89 1130.38 1169.91 1210.67 1235.67 1259.15 1291.56 1327.98 1355.07 1373.52 1397.38 1448.43 1452.30 1473.76 1504.16 1551.03 1562.80 1572.99 1576.28 1582.22 1592.18 1600.44 1608.25 1622.34 1630.80 1689.71 1700.70 1717.69 1734.36 1738.11 1752.49 1806.84 1820.50 1839.32 1851.80 1884.99 1893.54 1921.72 1925.12 1936.16 1965.53 1966.32 2018.64 2024.50 2030.60 2090.88 2100.52 2169.32 2190.41 2238.95 2244.55 2256.40 2268.18 2345.95 2346.67 2356.01 2370.37 2371.38 2372.81 2413.86 2422.49 2456.49 2467.44 2547.57 2603.81 2625.19 2866.61 2898.71 2993.91 4616.74 4630.96 4659.16 4672.02 4695.57 4734.61 4738.49 4742.39 4788.12 4841.14 4852.97 4897.39 4916.11 4945.87 4963.54 5012.71 5459.22 5545.03 5557.33 0.389356 0.415753 0.416697 0.322832 -1739.278538 -1739.252141 -1739.251197 -1739.345062 3.148248D-04 MUNgauss RevisionA2.0 retrievium 30-Jul-2020 DUDE Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NCc2ccco2 C03478581 RHF 6-31G(d) (6D,10F) C1 409.094372 |X|Y|Z| 44.369745 24.209199 159.639488 55.556629 22 6 7 8 16 16 3 2 1 |36.858105| |12.617663|36.858105| |7.563707|13.635425|36.858105| |5.024207|7.890692|13.837250|36.858105| |4.443049|6.857774|7.973791|13.691976|36.858105| |5.007529|7.891027|6.875221|7.906621|13.793743|36.858105| |7.547037|13.749291|7.958736|6.874116|7.970002|13.719570|36.858105| |3.147772|4.193988|4.749911|6.977057|10.796967|6.977792|4.739068|388.023441| |2.873576|3.693575|3.833599|4.936835|7.373879|6.592227|4.455303|94.542336|73.516695| |2.861920|3.669911|4.340263|6.235396|7.283987|5.042861|3.867979|94.724782|13.616206|73.516695| |2.868216|3.670987|4.202314|5.791356|7.101300|5.210526|3.958230|82.423932|13.450388|13.896859|53.358707| |2.710033|3.368627|3.614904|4.507100|5.532988|4.782077|3.745270|50.656854|11.593289|8.990977|17.914722|36.858105| |2.326097|2.768887|2.992462|3.568596|3.977672|3.506118|2.952050|34.369876|7.910700|7.128954|10.781032|12.628799|36.858105| |2.160113|2.543376|2.809205|3.360059|3.595233|3.093400|2.645753|31.623443|7.026712|7.124249|9.603915|7.952847|16.041659|73.516695| |2.200258|2.555654|2.676558|3.051427|3.376274|3.151297|2.740052|27.148766|6.614802|5.687568|7.278539|8.173646|14.432007|15.274127|73.516695| |1.930448|2.186676|2.294512|2.560954|2.740775|2.567461|2.297325|21.708825|5.273691|4.792793|5.491593|5.224667|8.198740|12.824102|24.136450|36.858105| |1.835902|2.038423|2.090295|2.267869|2.420630|2.344269|2.147908|18.435907|4.582004|4.070192|4.379603|4.074024|5.282221|8.204667|14.282534|12.511524|36.858105| |1.938836|2.144307|2.160446|2.314156|2.489239|2.467222|2.281253|18.461430|4.642506|4.007123|4.291600|4.053899|4.818930|7.166773|12.799761|7.984340|16.137021|73.516695| |1.626466|1.781678|1.830093|1.969606|2.075327|2.007895|1.859444|15.814274|3.931436|3.583431|3.656234|3.219793|4.048738|6.793722|9.440031|7.936884|13.755283|14.845034|53.358707| |1.517516|1.637111|1.665733|1.763963|1.844908|1.807707|1.701427|13.783761|3.440418|3.145318|3.095183|2.661337|3.163196|5.331862|6.995496|5.083624|7.668964|11.637951|18.494903|36.858105| |1.552281|1.660654|1.674877|1.752847|1.827494|1.809961|1.723555|13.389270|3.341425|3.039300|2.975138|2.555322|2.947758|4.887642|6.487414|4.402371|6.566578|11.778270|11.318520|16.033990|73.516695| |1.374955|1.476772|1.506462|1.594877|1.661816|1.623594|1.529764|12.499977|3.125997|2.894853|2.768860|2.325040|2.734351|4.740163|5.770089|4.094970|5.274723|8.073729|11.325999|13.965297|15.015140|53.358707| |1.276901|1.356796|1.375342|1.441069|1.494911|1.472104|1.401561|11.111712|2.786112|2.586191|2.414965|1.999016|2.280731|3.950136|4.698415|3.152318|3.903925|6.442033|7.108119|7.853407|12.329662|17.821107|36.858105| |1.174494|1.245511|1.267484|1.329217|1.373558|1.346637|1.281997|10.262170|2.569683|2.416664|2.212936|1.801304|2.045661|3.607167|4.100705|2.720537|3.161177|5.161707|5.528785|5.169890|8.084909|10.737426|12.779313|36.858105| |1.108079|1.168499|1.191201|1.243591|1.275662|1.248621|1.195206|9.480770|2.361357|2.249698|2.031448|1.631620|1.837881|3.268193|3.620014|2.364998|2.668999|4.402011|4.476581|3.982064|6.527982|7.258669|7.323672|14.226368|36.858105| |1.044158|1.102124|1.125245|1.177855|1.209578|1.181797|1.128269|9.048141|2.259816|2.161319|1.926318|1.534865|1.721102|3.084472|3.343662|2.163668|2.375074|3.904472|3.903134|3.282752|5.315548|5.788812|5.141395|8.569224|13.211538|36.858105| |1.066204|1.131256|1.154378|1.214845|1.256103|1.227487|1.164678|9.477543|2.382212|2.258825|2.020156|1.618715|1.821545|3.259997|3.552921|2.309738|2.535278|4.131075|4.211300|3.488674|5.483010|6.323262|5.344253|8.758090|8.596230|14.249439|36.858105| |1.144533|1.218729|1.241148|1.308801|1.359953|1.331755|1.260022|10.270486|2.588916|2.425821|2.206490|1.793017|2.034651|3.604793|4.047312|2.673424|3.030429|4.901214|5.234270|4.526122|6.870993|9.022827|7.891375|14.104109|8.636018|8.628258|14.127996|73.516695| |17.549448|8.860172|6.724122|4.607660|3.986545|4.303838|5.897636|20.807482|4.737806|4.896538|3.584835|2.448090|2.127424|3.564980|3.557027|1.775174|1.683021|3.130920|2.049996|1.408333|2.550767|1.750375|1.197830|1.108676|1.049988|0.993265|1.013267|1.924889|0.500000| |17.590307|8.837627|5.568894|4.169958|3.971337|4.742591|7.241534|20.729418|4.905251|4.658026|3.612484|2.570114|2.208006|3.617218|3.768903|1.862815|1.794209|3.397699|2.166046|1.493897|2.728882|1.842220|1.262528|1.159366|1.092564|1.029305|1.051864|2.009226|0.301605|0.500000| |17.550793|8.857081|6.754909|4.615847|3.985084|4.290777|5.868639|20.791737|4.703709|4.746381|3.779037|2.653343|2.324586|3.848242|3.941647|1.961381|1.874950|3.525851|2.262903|1.556962|2.845952|1.914299|1.307804|1.200232|1.134654|1.065067|1.083379|2.068283|0.302217|0.301580|0.500000| |7.030399|8.888642|17.708016|8.972873|5.663709|4.952442|5.654218|27.911554|5.711659|6.732244|4.946923|3.151339|2.722647|4.640351|4.360898|2.150097|1.966239|3.589845|2.370115|1.594804|2.853844|1.972635|1.328651|1.229282|1.161637|1.097545|1.120994|2.134061|0.190939|0.140715|0.192527|0.500000| |4.095422|5.621064|8.928111|17.743767|8.896285|5.637284|4.954714|47.373772|8.060680|12.262418|8.132139|4.380816|3.627897|6.324056|5.385883|2.584151|2.250386|4.012297|2.683213|1.757160|3.080681|2.174705|1.439205|1.334554|1.252026|1.188711|1.225025|2.338795|0.108425|0.095924|0.108615|0.215847|0.500000| |4.081299|5.624157|4.956486|5.637202|8.942741|17.758579|8.881533|47.346997|13.712903|8.370362|6.764837|4.853580|3.512212|5.427181|5.701999|2.594902|2.386731|4.490539|2.776868|1.835354|3.259844|2.245118|1.494933|1.365930|1.260897|1.195672|1.247981|2.413115|0.099625|0.112732|0.099199|0.107572|0.124168|0.500000| |6.982691|8.922488|5.649206|4.952767|5.668608|8.941530|17.719260|27.870658|6.961131|5.797234|4.579735|3.311927|2.671307|4.246752|4.522062|2.155651|2.054925|3.919982|2.433562|1.652467|2.994572|2.024537|1.372054|1.253573|1.168636|1.102909|1.138354|2.189793|0.152584|0.221965|0.151420|0.124119|0.107557|0.215054|0.500000| |2.559785|3.176952|3.672046|4.901348|5.487406|4.173147|3.330928|61.232145|10.892600|13.815788|25.877302|9.162875|7.707661|14.686816|8.978325|4.035997|3.136821|5.308903|3.642650|2.251961|3.799819|2.775220|1.771211|1.637523|1.507031|1.436442|1.508404|2.916154|0.066441|0.065771|0.069318|0.091563|0.150210|0.111377|0.080107|0.500000| |3.023868|3.791944|3.966753|4.778866|5.846053|5.352990|4.268538|44.124356|10.172357|7.867368|12.391565|17.603427|8.981458|10.805277|13.519233|4.926751|4.111891|7.666988|4.344769|2.687320|4.695193|3.147070|2.005043|1.788550|1.622085|1.513731|1.586316|3.131330|0.074132|0.079886|0.082909|0.094643|0.123047|0.147849|0.104581|0.181919|0.500000| 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