Version2.2 2021-02-27T06:50:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 22-Jan-2021 #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)c1c[nH]c2c1cccc2)N3CCN(CC3)S(=O)(=O)c4ccc(s4)Cl C15451819 RHF 6-31G(d) (6D,7F) C[C@H](C(=O)c1c[nH]c2c1cccc2)N3CCN(CC3)S(=O)(=O)c4ccc(s4)Cl C01[X(C19H20Cl1N3O3S2)] 138 C1 472 Clc1ccc(s1)S(=O)(=O)N1CCN(CC1)[C@@H](C(=O)c1c[nH]c2c1cccc2)C Clc1ccc(s1)S(=O)(=O)N1CCN(CC1)[C@@H](C(=O)c1c[nH]c2c1cccc2)C C[C@@H](N1CCN(CC1)[S](=O)(=O)c2sc(Cl)cc2)C(=O)c3c[nH]c4ccccc34 InChIKey=YCPSEFPJFVZABE-CYBMUJFWSA-N InChI=1S/C19H20ClN3O3S2/c1-13(19(24)15-12-21-16-5-3-2-4-14(15)16)22-8-10-23(11-9-22)28(25,26)18-7-6-17(20)27-18/h2-7,12-13,21H,8-11H2,1H3/t13-/m1/s1 InChI=1/C19H20ClN3O3S2/c1-13(19(24)15-12-21-16-5-3-2-4-14(15)16)22-8-10-23(11-9-22)28(25,26)18-7-6-17(20)27-18/h2-7,12-13,21H,8-11H2,1H3/t13-/m1/s1 C[C@H](C(=O)c1c[nH]c2c1cccc2)N3CCN(CC3)S(=O)(=O)c4ccc(s4)Cl C01[X(C19H20Cl1N3O3S2)] 138 C01 472 Clc1ccc(s1)S(=O)(=O)N1CCN(CC1)[C@@H](C(=O)c1c[nH]c2c1cccc2)C C[C@H](C(=O)[C]1[CH]N[C]2[C]1[CH][CH][CH][CH]2)N1CCN(CC1)S(=O)(=O)C1=[CH][CH]=C(S1)Cl C[C@@H](N1CCN(CC1)[S](=O)(=O)c2sc(Cl)cc2)C(=O)[C]3[CH]N[C]4[CH][CH][CH][CH][C]34 InChIKey=YCPSEFPJFVZABE-CYBMUJFWSA-N InChI=1S/C19H20ClN3O3S2/c1-13(19(24)15-12-21-16-5-3-2-4-14(15)16)22-8-10-23(11-9-22)28(25,26)18-7-6-17(20)27-18/h2-7,12-13,21H,8-11H2,1H3/t13-/m1/s1 InChI=1/C19H20ClN3O3S2/c1-13(19(24)15-12-21-16-5-3-2-4-14(15)16)22-8-10-23(11-9-22)28(25,26)18-7-6-17(20)27-18/h2-7,12-13,21H,8-11H2,1H3/t13-/m1/s1 3053.7308302597 -2373.4684154 1-A 20313.6530 114 358 472 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.85605 -92.21627 -92.00588 -20.55639 -20.55572 -20.54471 -15.62876 -15.60359 -15.56367 -11.34615 -11.32954 -11.30070 -11.29857 -11.27784 -11.27428 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478.1999 483.3837 511.7526 525.1698 532.4794 543.4233 548.5699 584.5251 608.5279 633.6623 643.1015 663.9857 673.2111 686.0714 695.9802 732.3364 801.7834 807.1996 820.9144 824.2322 833.0279 847.1727 864.0242 880.7873 940.4590 947.6695 950.5419 971.0594 981.6748 991.1739 1030.8492 1045.1533 1049.5397 1067.6019 1076.0412 1094.1270 1113.2466 1119.0235 1122.2265 1146.2701 1163.8234 1179.1806 1188.1813 1190.9352 1193.6028 1213.3399 1230.6786 1238.5645 1255.5132 1264.0210 1271.8603 1283.8228 1315.5799 1353.3479 1354.4303 1360.7189 1361.5581 1373.1127 1387.0593 1430.0297 1441.7683 1449.9856 1459.2531 1475.2251 1480.0158 1486.0419 1498.8235 1519.5954 1539.9172 1553.2997 1559.3974 1567.3578 1585.0813 1596.6625 1610.8701 1624.9524 1638.1496 1642.5718 1646.9286 1655.3005 1659.3209 1664.2867 1664.7198 1712.7020 1755.6758 1778.6175 1821.5896 1964.4098 3130.4836 3135.9435 3149.6540 3205.5078 3210.0550 3222.8390 3283.2054 3302.5455 3303.4322 3312.6863 3333.7200 3336.7487 3356.7527 3368.9352 3384.2746 3422.2727 3425.9968 3434.9161 3456.5068 3913.4247 9.3700 6.5227 5.8454 5.8151 5.6011 3.8330 4.3104 6.7070 5.4517 7.7097 7.6327 6.3877 6.1522 4.5711 5.0144 3.5655 2.0098 6.3977 2.3868 10.9756 7.3002 1.7080 4.4345 3.5776 4.0153 5.7172 5.4907 6.1085 1.8020 1.9785 2.6352 2.9450 8.7389 3.3742 5.5656 6.0718 5.0323 4.6171 3.2767 3.3610 5.2594 11.7103 2.7111 4.7877 4.1118 9.6034 6.4499 4.7614 4.5391 3.4286 5.0047 1.3587 3.3785 2.6582 1.2730 1.5585 4.5147 1.4461 1.6444 3.3799 2.6599 1.4464 2.5577 2.4602 1.3413 3.0827 2.2005 1.3100 2.2023 3.8743 2.8902 2.0009 1.8289 1.9974 2.5440 1.9897 1.8569 1.5404 2.9889 1.9228 2.9475 3.7600 2.8758 3.4089 1.0711 2.4573 1.4248 2.1265 2.1722 1.3736 1.4900 1.9289 2.7668 1.9200 8.7456 1.2883 1.7265 1.3209 1.4190 1.6535 1.3157 1.3646 2.2008 1.5999 7.0075 2.3274 1.0862 1.0763 1.0991 1.1003 1.0739 1.1251 2.6375 3.9405 5.6514 5.5706 5.6455 11.8268 1.0746 1.0761 1.0793 1.0708 1.0709 1.0362 1.1017 1.0926 1.0953 1.0971 1.0955 1.0955 1.0875 1.0927 1.0970 1.0935 1.0945 1.0986 1.0981 1.0815 0.0008 0.0008 0.0014 0.0033 0.0047 0.0098 0.0145 0.0410 0.0474 0.0806 0.0858 0.0772 0.0946 0.1091 0.1606 0.1276 0.0769 0.2963 0.1124 0.5290 0.3912 0.0964 0.2701 0.2598 0.3158 0.5278 0.5421 0.6771 0.2232 0.2460 0.3551 0.4054 1.3484 0.5483 0.9297 1.0564 0.8922 0.9294 0.7149 0.7951 1.2816 3.0418 0.7239 1.3277 1.1735 3.0346 2.4430 1.8279 1.8022 1.3724 2.0462 0.5745 1.4860 1.2150 0.6634 0.8247 2.4034 0.8034 0.9336 1.9564 1.6653 0.9309 1.6600 1.6521 0.9150 2.1743 1.6068 0.9665 1.6341 2.9993 2.3065 1.6392 1.5212 1.6692 2.1354 1.7258 1.6570 1.3923 2.7759 1.8100 2.8092 3.6513 2.9326 3.6786 1.1577 2.6806 1.5562 2.3623 2.4622 1.6550 1.8248 2.3894 3.4713 2.4619 11.2869 1.6763 2.2851 1.7971 1.9825 2.3505 1.8850 1.9752 3.2579 2.4031 10.7136 3.6208 1.7173 1.7109 1.7564 1.7763 1.7421 1.8361 4.3065 6.8103 10.2634 10.3828 11.0370 26.8895 6.2047 6.2352 6.3084 6.4827 6.5014 6.3414 6.9972 7.0212 7.0420 7.0935 7.1731 7.1865 7.2196 7.3067 7.4024 7.5456 7.5693 7.6369 7.7296 9.7588 0.6842 2.1412 1.4656 0.1300 1.6810 0.0327 2.2382 2.0138 0.0395 0.4442 3.2430 2.3150 0.5649 0.7987 7.4047 8.6980 1.6480 0.3419 0.3163 0.3502 4.3519 2.1545 4.6202 3.6766 1.6975 0.8703 12.4663 0.5738 52.6230 65.4823 3.4662 10.5062 36.1254 2.6593 3.1569 9.0768 4.6336 8.9708 3.5071 1.8566 21.1731 108.0197 7.0623 105.3483 20.4216 20.3904 34.6681 172.8667 44.3667 13.1400 6.0317 77.3293 13.5496 22.7096 28.8928 1.0377 2.5264 0.1592 8.1462 54.7784 107.3519 1.2752 47.1411 107.2301 2.5274 121.9518 5.9803 0.2045 3.5780 8.4313 12.3511 48.3677 13.5235 15.6556 12.1527 14.4377 258.5427 4.0010 117.5048 66.8437 109.8457 61.1628 57.3361 8.8949 0.1104 3.4813 14.0334 10.2226 8.9250 17.4972 31.5879 71.6478 3.4675 28.9402 172.8832 49.0142 24.3136 5.5026 18.3116 15.9542 13.5080 20.1696 147.4764 26.4688 145.6551 29.1933 0.4296 0.8889 1.0763 20.5853 6.4059 2.6560 7.5978 140.9747 9.6111 1.6489 5.2005 222.2445 21.1023 28.8910 108.7000 9.2976 46.8946 17.3498 42.3303 32.6421 19.7900 24.9215 6.6546 5.6197 0.2963 24.8501 37.2515 1.1860 2.7079 0.4497 1.4103 117.7435 1.3551 4.1154 4.3068 3.6789 4.8896 1.5544 0.7865 0.7950 4.8463 1.2994 0.2507 0.5052 0.7587 0.7743 1.9174 0.7414 0.4698 3.0069 0.3620 2.2585 2.9753 1.1301 0.1128 0.5588 0.9293 2.4384 0.7733 0.8891 1.3125 1.1989 0.5881 1.2955 1.2317 0.9848 1.7666 3.7264 3.7499 3.1317 0.6656 0.1199 0.8607 2.4812 1.5265 2.7919 5.0462 17.6701 5.9735 10.7483 1.1749 6.1280 16.0521 1.1668 4.6670 16.8627 1.5738 2.6761 2.2647 1.4284 2.3583 1.3976 3.2675 4.2585 0.7371 2.6042 0.0731 0.8527 17.0159 0.4474 2.7515 8.1225 19.0584 17.7965 9.0240 1.4770 17.9065 3.4676 3.9985 13.1089 2.7621 11.7535 9.5388 0.1853 8.0710 1.8779 6.8495 42.2980 4.3063 7.5270 34.8236 3.9045 4.1822 8.5682 13.3693 18.8565 7.6857 16.5557 13.7980 3.7948 1.9832 2.0957 1.6897 4.2045 57.9659 8.1974 185.6342 8.5033 19.5462 14.8192 0.2391 1.6290 17.1743 6.3951 5.7694 135.2668 6.8199 22.1991 19.1113 58.8176 10.8277 46.5510 90.1315 7.8901 48.7804 107.1153 72.0955 75.2567 50.6899 76.8785 39.3588 63.4795 57.0924 104.5885 236.9912 64.9946 61.1148 113.4198 61.2526 122.8533 0.7427 0.7494 0.7467 0.7420 0.7500 0.7273 0.6614 0.6953 0.7347 0.4517 0.5964 0.7370 0.0830 0.7482 0.4003 0.4607 0.5460 0.2878 0.3067 0.5130 0.4422 0.2412 0.2232 0.3273 0.4408 0.6619 0.7447 0.3221 0.6530 0.6442 0.5765 0.2604 0.6684 0.7239 0.6588 0.7459 0.7325 0.3464 0.3298 0.6195 0.6600 0.6683 0.6880 0.6803 0.7295 0.0865 0.3750 0.1645 0.3189 0.2667 0.1530 0.7497 0.5531 0.0622 0.6449 0.5535 0.1203 0.7426 0.7370 0.7496 0.7110 0.7350 0.6702 0.1495 0.6962 0.5514 0.1576 0.6061 0.6310 0.4790 0.3044 0.7198 0.2759 0.5895 0.1384 0.6862 0.5331 0.2621 0.7472 0.3716 0.1792 0.6217 0.3963 0.1633 0.6300 0.2691 0.7470 0.3181 0.2157 0.7237 0.6579 0.7450 0.2920 0.3980 0.6526 0.5831 0.6537 0.5572 0.1915 0.2433 0.5121 0.0371 0.7325 0.5659 0.3082 0.5655 0.7486 0.7219 0.3672 0.5444 0.6933 0.7053 0.2771 0.2203 0.6560 0.6202 0.7241 0.2980 0.5603 0.2336 0.1801 0.2648 0.1597 0.0377 0.7278 0.6570 0.1241 0.3317 0.4201 0.3007 0.6412 0.7348 0.1524 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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 6 6 1 6 8 6 6 7 1 6 6 6 6 6 6 7 6 6 7 6 6 16 8 8 6 6 6 6 16 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 31.97207 15.99491 15.99491 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 5837.7965 34272.1126 36348.4122 0.99999 -0.00338 0.00178 0.00327 0.99818 0.06022 -0.00198 -0.06021 0.99818 1 0.01484 0.00253 0.00238 0.30915 0.05266 0.04965 17.04 20.33 28.88 44.77 54.35 94.76 108.89 146.64 174.69 191.69 198.79 206.10 232.37 289.58 335.47 354.57 366.74 403.42 406.83 411.49 433.91 445.36 462.64 505.08 525.64 569.54 588.98 624.06 659.69 660.92 688.02 695.48 736.30 755.60 766.12 781.86 789.27 841.00 875.54 911.70 925.28 955.33 968.60 987.10 1001.36 1053.67 1153.59 1161.38 1181.11 1185.89 1198.54 1218.89 1243.14 1267.26 1353.11 1363.49 1367.62 1397.14 1412.41 1426.08 1483.16 1503.74 1510.05 1536.04 1548.18 1574.20 1601.71 1610.03 1614.63 1649.23 1674.48 1696.58 1709.53 1713.49 1717.33 1745.73 1770.67 1782.02 1806.40 1818.64 1829.92 1847.13 1892.83 1947.17 1948.72 1957.77 1958.98 1975.60 1995.67 2057.49 2074.38 2086.21 2099.54 2122.52 2129.41 2138.08 2156.47 2186.36 2215.60 2234.85 2243.63 2255.08 2280.58 2297.24 2317.68 2337.94 2356.93 2363.29 2369.56 2381.61 2387.39 2394.54 2395.16 2464.20 2526.03 2559.03 2620.86 2826.35 4504.07 4511.92 4531.65 4612.01 4618.55 4636.95 4723.80 4751.63 4752.90 4766.22 4796.48 4800.84 4829.62 4847.15 4869.22 4923.89 4929.25 4942.08 4973.14 5630.55 0.402937 0.426654 0.427598 0.345055 -2373.065479 -2373.041761 -2373.040817 -2373.123361 2.768539D-04 MUNgauss RevisionA2.1 retrievium 27-Feb-2021 DUDE C[C@H](C(=O)c1c[nH]c2c1cccc2)N3CCN(CC3)S(=O)(=O)c4ccc(s4)Cl C15451819 RHF 6-31G(d) (6D,10F) C1 437.063463 |X|Y|Z| 129.938895 47.293795 34.537068 59.649883 23 6 7 16 18 3 2 |36.858105| |12.401250|36.858105| |8.880985|17.446323|0.500000| |7.768652|12.394604|0.245086|36.858105| |6.232478|8.016864|0.163989|15.911087|73.516695| |5.663398|7.358742|0.199623|12.952553|14.562827|36.858105| |5.019707|6.204819|0.202100|7.473002|9.402868|13.978083|36.858105| |3.791026|4.331096|0.133426|5.203846|7.459722|8.544960|14.070374|53.358707| |3.329047|3.707785|0.116238|4.169342|6.153884|5.989289|9.122307|26.106507|0.500000| |3.500145|3.934730|0.112711|5.135079|7.939009|8.335983|8.539460|18.803333|0.249937|36.858105| |4.146798|4.806248|0.128971|7.321776|11.516493|13.115294|8.466456|11.586575|0.165492|13.649656|36.858105| |3.562424|3.962763|0.102163|5.783026|10.924423|7.249308|5.239234|7.291646|0.118626|7.907957|13.611970|36.858105| |2.869095|3.101159|0.082219|4.099310|7.587470|5.004763|4.173818|6.331213|0.109500|6.963003|7.983356|13.850827|36.858105| |2.628709|2.827790|0.077595|3.563439|6.233683|4.541490|4.188622|7.023191|0.126328|8.068512|6.865093|7.864911|13.573916|36.858105| |2.822025|3.069947|0.086931|3.816784|6.296179|5.252958|5.302685|10.334717|0.185074|13.680825|7.783749|6.733665|7.872568|13.857567|36.858105| |7.639340|13.095967|0.252372|7.755048|12.122753|5.117295|4.431736|4.621214|0.083320|3.184418|3.811694|3.371445|2.716643|2.461493|2.603984|53.358707| |6.503151|7.804560|0.191753|5.037969|8.117282|3.837744|3.584806|3.890997|0.072521|2.643159|3.014954|2.704229|2.265859|2.096622|2.221572|17.851742|36.858105| |4.436342|5.050021|0.126882|3.899041|6.770161|3.090357|2.871734|3.256693|0.061357|2.265431|2.564145|2.381962|2.035473|1.877421|1.955353|10.596277|12.520639|36.858105| |3.696014|4.506651|0.118001|3.728515|6.503501|3.040026|2.839065|3.255572|0.061496|2.271559|2.555812|2.379701|2.045269|1.891909|1.969466|9.152257|7.830145|13.028337|53.358707| |3.855780|5.072710|0.128851|4.501207|8.057306|3.571183|3.214307|3.655920|0.067837|2.591797|2.990713|2.795859|2.358389|2.148467|2.224103|10.576612|6.673832|7.800661|17.731384|36.858105| |5.021219|7.893646|0.198742|6.538905|10.584725|4.863670|4.304507|4.608357|0.083604|3.188551|3.758990|3.338998|2.723351|2.483043|2.628000|17.831096|8.006743|6.694737|10.687398|12.536329|36.858105| |2.822421|3.252386|0.087226|2.844218|5.040602|2.433127|2.309285|2.738284|0.052518|1.926620|2.124097|2.013114|1.774037|1.655087|1.709814|5.812191|4.841972|7.137253|15.895334|7.154312|4.853816|388.023441| |2.536390|2.978041|0.081661|2.696916|4.759083|2.373227|2.273598|2.731667|0.052662|1.924282|2.099435|1.990271|1.769582|1.661862|1.718669|5.094303|3.945252|4.990977|10.531800|6.525719|4.569790|94.915253|73.516695| |2.684327|2.969345|0.080870|2.545588|4.447366|2.209313|2.134391|2.543416|0.049258|1.773776|1.930507|1.821042|1.618013|1.523461|1.581108|5.094693|4.563026|6.562522|10.533121|4.991384|3.941042|94.880331|13.566164|73.516695| |2.568149|2.863082|0.074477|2.610566|4.817057|2.225195|2.068480|2.488893|0.047550|1.790186|1.991300|1.938743|1.719283|1.585358|1.609411|4.986592|3.934740|5.591465|9.460487|5.678465|3.967461|76.909298|13.259262|13.211521|36.858105| |2.344274|2.626629|0.068233|2.491757|4.682713|2.149954|1.982700|2.416198|0.046103|1.761587|1.962280|1.940730|1.733495|1.590706|1.598648|4.443974|3.302981|4.277114|7.169143|5.093011|3.630927|48.948748|11.377586|8.922850|14.138077|36.858105| |2.153361|2.343562|0.060437|2.255599|4.298586|1.957969|1.798373|2.213667|0.042287|1.629566|1.814422|1.821358|1.641354|1.500729|1.493713|3.850672|2.853934|3.572639|5.430938|3.901282|3.010367|33.747442|7.722282|7.020908|8.235895|13.311994|36.858105| |2.187166|2.322995|0.059667|2.196150|4.165089|1.896615|1.747814|2.144519|0.041034|1.571463|1.747341|1.747172|1.573048|1.441170|1.438225|3.810916|2.916819|3.720983|5.288615|3.597105|2.858764|32.414277|6.887495|7.286236|7.796617|8.300474|14.164376|36.858105| |2.463184|2.612166|0.067333|2.370477|4.398519|2.023675|1.882279|2.277209|0.043625|1.642843|1.823326|1.787846|1.594825|1.470266|1.486162|4.410790|3.592337|4.997217|6.835408|4.142788|3.242165|44.244249|8.143224|10.673683|10.985019|7.412114|7.394473|11.042462|388.023441| |1.954281|2.019932|0.051941|1.931272|3.673764|1.689311|1.560167|1.934950|0.037153|1.426277|1.577504|1.592437|1.449608|1.329624|1.318498|3.200750|2.439854|2.954237|4.011723|2.779199|2.341552|23.264979|5.113536|5.538057|4.615038|4.807285|6.959129|11.093198|45.404200|448.794386| |17.595309|8.707024|0.216332|5.574560|8.292110|4.496964|4.317910|4.584727|0.084933|3.046015|3.442056|2.986263|2.488708|2.328444|2.512535|9.020972|6.888254|4.574023|5.009801|3.625588|4.535856|20.221397|4.486020|4.958558|2.544179|2.282627|2.094224|2.151957|17.585618|15.470268|0.500000| |17.565070|8.816905|0.209295|7.399861|10.360848|6.237875|5.638904|5.827601|0.103428|3.931569|4.608995|3.858226|3.107524|2.875087|3.127564|7.603384|4.799970|3.551289|4.211034|3.267440|4.173512|17.434984|4.003931|4.158854|2.253553|2.091331|1.939133|1.959233|15.399302|14.246702|0.303318|0.500000| |17.587182|8.826209|0.174037|6.897987|11.561708|4.887348|4.145186|4.489508|0.080755|3.183757|3.841186|3.493752|2.819743|2.527694|2.636761|9.675623|6.097593|4.505421|4.988753|3.829519|4.697089|20.096209|4.452634|4.755572|2.661975|2.436960|2.272769|2.330910|18.542579|16.849091|0.299525|0.300963|0.500000| |5.215547|6.463474|0.244492|6.394897|8.161152|8.626908|17.811697|12.345845|0.215506|5.891032|5.764605|4.074600|3.381564|3.412917|4.190351|6.266855|3.880310|3.029741|4.050037|3.274913|4.423711|17.112844|4.194130|4.004664|2.109568|1.994208|1.796148|1.755225|13.644691|12.527571|0.131526|0.157990|0.114845|0.500000| |3.710823|4.112308|0.101581|6.114625|13.313017|6.450874|4.551009|5.912459|0.099084|5.630183|8.869900|17.773484|8.910505|5.604313|4.883503|4.906660|2.847755|2.536356|3.431782|2.997484|3.528473|15.088143|3.696490|3.385570|2.075879|2.088230|1.971337|1.889732|13.651471|13.822394|0.085257|0.108581|0.104978|0.102811|0.500000| |2.589945|2.759226|0.072462|3.540932|6.788177|4.031199|3.408654|5.015631|0.089642|4.998855|5.662116|8.971990|17.718172|8.888435|5.633868|3.381378|2.097766|1.917509|2.623720|2.213553|2.491017|12.034287|3.000471|2.744079|1.663932|1.691636|1.618536|1.549364|11.041267|11.555234|0.062977|0.076851|0.072096|0.079515|0.214866|0.500000| |2.296327|2.438730|0.067099|2.970040|5.247465|3.616148|3.423558|5.628658|0.106515|5.697926|4.948070|5.627509|8.876386|17.716214|8.979178|2.944855|1.875290|1.700219|2.335824|1.930023|2.187731|10.821690|2.724743|2.501464|1.466062|1.476784|1.401665|1.346279|9.711961|10.038478|0.057341|0.069218|0.061784|0.080460|0.123780|0.215661|0.500000| |2.541477|2.734754|0.078794|3.246465|5.324219|4.291354|4.625660|9.132673|0.188317|8.824268|5.566231|4.878753|5.600143|8.894823|17.710668|3.194332|2.045087|1.809516|2.484514|2.033457|2.375503|11.391107|2.873750|2.653580|1.502216|1.489782|1.392858|1.343343|9.886322|9.915715|0.064159|0.077934|0.065683|0.107169|0.106333|0.123757|0.214747|0.500000| |5.690065|6.876927|0.200199|4.529294|7.017263|3.695967|3.645240|3.955291|0.074919|2.615043|2.897722|2.551255|2.165948|2.042301|2.197059|12.230461|17.418291|8.882635|9.511230|5.808948|7.115441|33.082623|6.998430|8.124415|3.579948|3.022675|2.595440|2.631416|22.933514|17.797248|0.177530|0.123971|0.138324|0.114334|0.072980|0.055380|0.050885|0.056827|0.500000| |7.527064|7.151447|0.170870|4.711391|7.693266|3.631927|3.394190|3.725983|0.069675|2.543428|2.892624|2.615516|2.202922|2.038211|2.151888|12.445736|17.638571|9.033292|7.747138|4.987280|5.735937|28.595933|5.869342|7.068232|3.485452|2.956662|2.647299|2.768913|24.119728|19.162001|0.246422|0.147516|0.204603|0.101528|0.076666|0.056878|0.050799|0.055126|0.300939|0.500000| 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