Version2.2 2021-02-05T23:18:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 27-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c2c(=O)cc([nH]c2n(n1)[C@@H]3CCS(=O)(=O)C3)COC(=O)c4c(c5ccccc5s4)Cl C09812857 RHF 6-31G(d) (6D,7F) Cc1c2c(=O)cc([nH]c2n(n1)[C@@H]3CCS(=O)(=O)C3)COC(=O)c4c(c5ccccc5s4)Cl C01[X(C21H18Cl1N3O5S2)] 144 C1 528 O=C(c1sc2c(c1Cl)cccc2)OCc1cc(=O)c2c([nH]1)n(nc2C)[C@@H]1CCS(=O)(=O)C1 O=C(c1sc2c(c1Cl)cccc2)OCc1cc(=O)c2c([nH]1)n(nc2C)[C@@H]1CCS(=O)(=O)C1 Cc1nn([C@@H]2CC[S](=O)(=O)C2)c3NC(=CC(=O)c13)COC(=O)c4sc5ccccc5c4Cl InChIKey=QOHSEWMXHIBBGF-CYBMUJFWSA-N InChI=1S/C21H18ClN3O5S2/c1-11-17-15(26)8-12(23-20(17)25(24-11)13-6-7-32(28,29)10-13)9-30-21(27)19-18(22)14-4-2-3-5-16(14)31-19/h2-5,8,13H,6-7,9-10H2,1H3,(H,23,26)/t13-/m1/s1 InChI=1/C21H18ClN3O5S2/c1-11-17-15(26)8-12(23-20(17)25(24-11)13-6-7-32(28,29)10-13)9-30-21(27)19-18(22)14-4-2-3-5-16(14)31-19/h2-5,8,13H,6-7,9-10H2,1H3,(H,23,26)/t13-/m1/s1/f/h23H Cc1c2c(=O)cc([nH]c2n(n1)[C@@H]3CCS(=O)(=O)C3)COC(=O)c4c(c5ccccc5s4)Cl C01[X(C21H18Cl1N3O5S2)] 144 C01 528 O=C(c1sc2c(c1Cl)cccc2)OCc1cc(=O)c2c([nH]1)n(nc2C)[C@@H]1CCS(=O)(=O)C1 O=C(C1=[C]([C]2[C]([CH][CH][CH][CH]2)S1)Cl)OCC1=CC(=O)[C]2[C](N1)[N@]([N][C]2C)[C@@H]1CC[S@@](=O)([O])C1 C[C]1[N]N([C]2NC(=CC(=O)[C]12)COC(=O)C3=C(Cl)[C]4[CH][CH][CH][CH][C]4S3)[C@@H]5CC[S]([O])(=O)C5 InChIKey=QOHSEWMXHIBBGF-CYBMUJFWSA-N InChI=1S/C21H18ClN3O5S2/c1-11-17-15(26)8-12(23-20(17)25(24-11)13-6-7-32(28,29)10-13)9-30-21(27)19-18(22)14-4-2-3-5-16(14)31-19/h2-5,8,13H,6-7,9-10H2,1H3,(H,23,26)/t13-/m1/s1 InChI=1/C21H18ClN3O5S2/c1-11-17-15(26)8-12(23-20(17)25(24-11)13-6-7-32(28,29)10-13)9-30-21(27)19-18(22)14-4-2-3-5-16(14)31-19/h2-5,8,13H,6-7,9-10H2,1H3,(H,23,26)/t13-/m1/s1/f/h23H 3529.3996436767 -2597.8116918 1-A 28389.7407 127 401 528 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333.3360 366.3661 375.8276 416.8471 428.7779 446.2990 449.8530 454.3252 474.3281 507.7103 511.5776 525.3570 546.7321 549.3861 561.4711 611.1556 614.7820 628.8452 658.3278 680.5333 683.0103 723.3752 727.9220 750.6652 751.7468 779.7762 796.4147 811.0795 815.3242 849.0921 853.6407 854.1088 864.0386 867.0173 906.4235 967.2513 973.0226 975.5686 982.7647 1008.0108 1022.3602 1038.3318 1061.2086 1087.4311 1097.9450 1109.7607 1118.0220 1126.0720 1135.8919 1137.2619 1162.1335 1167.6862 1172.1953 1176.3525 1181.4610 1207.4403 1216.5510 1226.2075 1241.9676 1249.9053 1273.9026 1281.4499 1318.6805 1358.3932 1364.6191 1375.5676 1386.0859 1400.2427 1410.4201 1420.4814 1426.6747 1436.5303 1441.2797 1450.5293 1462.7638 1466.1852 1486.2412 1530.6020 1561.7884 1580.9423 1594.9674 1602.1688 1605.6076 1608.8209 1615.2218 1621.1220 1623.9236 1630.6503 1654.0151 1659.5727 1695.4524 1718.7119 1740.4466 1766.2652 1801.5036 1808.5328 1854.0961 1940.3601 2006.3575 3228.0388 3239.2519 3262.9306 3270.8098 3278.8773 3280.7939 3283.7817 3291.7815 3313.7957 3317.2473 3344.0441 3347.8746 3369.2637 3382.5297 3393.6790 3405.8434 3443.2581 3884.5168 8.9368 7.3433 8.1282 6.5036 7.9917 5.4606 5.3581 3.3301 8.0504 3.9003 6.0071 1.1381 8.6899 4.6321 5.6128 3.4072 6.5119 3.8338 4.0648 7.4134 6.6180 5.2104 2.3065 2.4497 5.3027 3.9224 8.1027 4.4710 9.6680 3.5754 7.4125 4.8544 6.4047 10.5382 5.2635 3.2797 11.0507 4.8056 2.9975 8.5441 4.6442 8.6266 4.9358 4.2604 8.5263 6.5641 5.6501 6.1484 6.2839 5.9557 5.1512 5.2974 6.6102 3.5974 5.4572 3.3659 6.4840 2.3358 2.9511 1.3512 4.2227 3.3730 10.4861 1.4898 1.3602 3.8001 1.5798 5.8288 4.2160 2.4416 1.3480 2.0701 2.4412 2.5766 1.3307 1.7082 1.7590 6.6135 4.6195 1.5666 2.6852 3.7827 2.0530 3.4326 3.0482 2.4893 2.5650 1.6177 2.2228 1.5399 2.0033 1.9827 1.3984 2.6995 1.9831 1.0735 5.0380 1.4940 2.4716 2.5777 4.1957 2.5271 1.8089 1.3948 2.1253 1.5368 1.5884 2.1397 1.2753 2.1393 1.0838 1.3063 1.0439 2.3927 1.7138 1.1530 1.0955 4.2534 6.6269 8.3451 7.4032 5.4211 5.4321 6.1811 11.1858 12.7487 1.0358 1.0578 1.0632 1.0855 1.0598 1.0607 1.1084 1.1021 1.1055 1.1077 1.1091 1.1107 1.0880 1.0917 1.0966 1.0964 1.0931 1.0792 0.0002 0.0007 0.0021 0.0027 0.0075 0.0074 0.0080 0.0087 0.0245 0.0227 0.0416 0.0087 0.0907 0.0521 0.0797 0.0620 0.1559 0.0926 0.1038 0.2414 0.2357 0.1895 0.0890 0.1094 0.2446 0.2097 0.5161 0.2927 0.7646 0.2975 0.7589 0.5258 0.7516 1.2565 0.6401 0.4348 1.6783 0.7410 0.4874 1.5047 0.8259 1.6023 1.0862 0.9487 1.9866 1.6761 1.5417 1.6899 1.9373 1.8593 1.7102 1.7638 2.3681 1.3444 2.1152 1.3183 2.7542 1.0028 1.2684 0.5943 1.8702 1.6328 5.7802 0.8310 0.7627 2.1624 0.9458 3.5896 2.6781 1.6200 0.9392 1.4703 1.7714 1.8975 0.9942 1.2986 1.3404 5.2625 3.7111 1.2682 2.1893 3.1110 1.7635 2.9932 2.7003 2.2623 2.3610 1.5467 2.1506 1.5777 2.1780 2.1753 1.5590 3.0557 2.2909 1.2582 5.9893 1.7916 3.0051 3.1549 5.2012 3.1858 2.2910 1.8153 2.9336 2.2086 2.3391 3.2070 1.9287 3.2494 1.6527 2.0079 1.6163 3.7177 2.6850 1.8585 1.7777 7.2038 11.5336 14.8938 13.6077 10.3660 10.4683 12.5194 24.8131 30.2367 6.3590 6.5396 6.6695 6.8424 6.7129 6.7268 7.0418 7.0364 7.1525 7.1816 7.3073 7.3350 7.2771 7.3593 7.4411 7.4935 7.6358 9.5944 0.3720 0.6430 1.2425 1.3837 4.3246 0.6582 5.1013 3.3951 0.0591 2.5110 2.3616 0.0015 1.5880 0.2767 0.2754 1.9655 1.7876 1.9030 1.7207 5.7068 0.0721 1.9512 26.6202 24.9230 8.5548 31.3124 2.6006 29.6455 3.6853 8.0437 7.5912 6.9423 21.8705 1.2961 13.1494 6.1870 19.0604 36.8844 4.4784 6.9461 0.2307 9.6350 7.8420 1.0049 39.9797 47.8901 0.0017 17.3964 2.3864 12.1425 0.6896 2.0561 4.4250 5.3301 12.0232 9.6489 7.5391 91.7349 7.5436 2.8510 0.5329 35.7075 57.1587 51.9273 0.2440 34.0936 8.1878 25.8102 7.3853 11.1794 0.9929 15.0291 34.9570 2.5768 0.0438 11.0768 0.9364 7.9506 25.2599 3.9244 7.9835 11.6732 89.2004 39.6492 117.6684 148.9730 43.9672 2.8171 3.7309 0.3124 25.4400 33.3562 14.3978 324.1931 52.9024 4.0505 1110.0962 39.2790 114.0976 2.5892 159.9812 4.5589 107.8346 10.2392 34.3585 8.1744 15.0664 5.4083 20.8528 6.1329 2.2877 8.6158 5.1209 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3.3229 8.2542 12.1896 33.9599 15.6106 7.3526 19.0511 54.9209 26.9905 5.9655 9.9230 76.3529 510.9021 10.8683 79.4511 127.4166 3.2043 32.6499 68.3601 83.1751 127.7143 99.2046 39.9673 49.9901 18.4386 163.2155 48.8463 66.2593 78.5297 29.4187 79.0492 34.5259 55.2488 111.0237 160.6384 163.7433 158.4592 53.6186 0.7500 0.7498 0.7432 0.7500 0.7500 0.7293 0.7498 0.7293 0.7500 0.7141 0.7443 0.7484 0.1233 0.7475 0.7427 0.7306 0.6919 0.4020 0.6174 0.4676 0.7499 0.4128 0.4518 0.3992 0.3436 0.7483 0.7473 0.6188 0.5872 0.6318 0.7499 0.5539 0.7081 0.0886 0.7014 0.7500 0.5837 0.6464 0.7320 0.4421 0.7500 0.1412 0.0661 0.4315 0.5427 0.6584 0.7499 0.6462 0.7405 0.1876 0.7460 0.3920 0.1736 0.0676 0.6910 0.7500 0.1034 0.7316 0.7432 0.3144 0.7499 0.6764 0.3287 0.7462 0.7499 0.0852 0.5344 0.1492 0.1703 0.5472 0.7500 0.4322 0.0300 0.2137 0.7500 0.5931 0.7417 0.3205 0.3635 0.7500 0.7485 0.4256 0.5442 0.4050 0.7434 0.3383 0.0792 0.2833 0.6954 0.3635 0.4965 0.3085 0.7434 0.2148 0.1188 0.7229 0.2637 0.6754 0.3305 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2314.73 2323.94 2332.43 2336.46 2346.14 2379.76 2387.76 2439.38 2472.84 2504.11 2541.26 2591.96 2602.08 2667.63 2791.75 2886.70 4644.43 4660.56 4694.63 4705.97 4717.57 4720.33 4724.63 4736.14 4767.81 4772.78 4811.33 4816.84 4847.62 4866.71 4882.75 4900.25 4954.08 5588.95 0.399561 0.426789 0.427734 0.335684 -2597.412131 -2597.384902 -2597.383958 -2597.476007 3.087339D-04 MUNgauss RevisionA2.1 retrievium 05-Feb-2021 DUDE Cc1c2c(=O)cc([nH]c2n(n1)[C@@H]3CCS(=O)(=O)C3)COC(=O)c4c(c5ccccc5s4)Cl C09812857 RHF 6-31G(d) (6D,10F) C1 491.037642 |X|Y|Z| 155.681114 61.157372 20.319668 57.836294 26 6 7 8 16 20 3 1 2 |36.858105| |12.741346|36.858105| |7.276043|13.353828|36.858105| |5.670766|7.169035|13.124522|36.858105| |5.766722|6.055532|8.081991|15.821465|73.516695| |3.986537|4.952457|7.817579|12.880094|14.367527|36.858105| |3.549044|4.592156|6.884701|7.706605|9.505489|14.269288|36.858105| |3.857036|5.407285|7.925068|6.628870|8.305642|7.995681|13.719202|53.358707| |3.325939|4.473198|5.769164|4.926778|6.679520|5.822781|9.180297|26.082537|0.500000| |5.194959|8.640379|13.890005|7.744634|9.467714|6.965030|8.090857|19.091547|0.256717|36.858105| |5.325407|8.915291|8.683139|5.332254|7.442099|4.691227|5.236457|10.689319|0.194740|14.252505|53.358707| |7.806617|14.726845|8.504586|5.190008|7.774345|4.146682|4.200648|7.316490|0.131753|8.581426|18.947739|53.358707| |3.932432|5.452112|5.278517|3.863168|5.679859|3.666997|4.250296|8.344454|0.181810|7.567485|18.017096|10.687873|36.858105| |3.388760|4.558873|4.839351|3.753521|5.456445|3.792180|4.671194|9.588322|0.241192|7.244260|12.671666|7.853903|17.603571|0.500000| |3.585101|4.579453|4.203790|3.238254|4.957376|3.048691|3.407997|6.093677|0.130521|5.269427|10.455571|8.650766|12.352102|0.245322|36.858105| |2.872459|3.442982|3.205685|2.607978|4.090206|2.509932|2.798673|4.775141|0.105320|3.855391|6.852574|6.046065|7.601774|0.184229|12.338059|36.858105| 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|2.537531|2.962420|3.802910|4.490245|6.808253|6.891564|8.010846|7.173041|0.135964|4.027025|4.327674|3.752985|2.849070|0.086987|2.452969|2.145926|15.414938|3.355811|4.057298|2.493435|13.557613|73.516695| |2.156330|2.464305|3.016251|3.418120|5.399858|4.651445|5.267365|5.490693|0.110233|3.209538|3.630081|3.184521|2.476926|0.075912|2.178611|1.953629|14.077057|3.093303|3.755417|2.210603|8.183556|25.424012|36.858105| |2.014350|2.312277|2.774553|3.010099|4.734378|3.917226|4.647328|5.239305|0.110600|3.041387|3.525993|3.057481|2.478689|0.077317|2.190424|1.993129|14.419302|3.154449|3.921738|2.219969|7.277934|15.301298|16.070398|73.516695| |1.991960|2.211467|2.650092|3.067033|5.074417|3.970151|4.072500|4.372783|0.086152|2.709215|3.122073|2.822947|2.120112|0.063504|1.896565|1.712879|12.310092|2.751094|3.241212|1.922907|5.254757|14.620306|12.894309|14.248990|36.858105| |1.746658|1.912919|2.232642|2.522584|4.244737|3.100504|3.181273|3.601817|0.072174|2.283683|2.701675|2.466826|1.865256|0.055672|1.692388|1.551364|11.157442|2.517157|2.946389|1.713398|3.937548|9.377608|7.516558|11.293888|14.150434|36.858105| |1.659062|1.783698|2.054948|2.341120|4.047664|2.787068|2.750782|3.152706|0.062430|2.056677|2.454748|2.282034|1.685518|0.049603|1.541996|1.415927|10.160351|2.315416|2.653871|1.560498|3.197040|7.336281|5.051365|7.685300|8.148910|13.172633|36.858105| |1.481899|1.577660|1.785798|2.001396|3.489611|2.314289|2.289852|2.698869|0.053846|1.787036|2.168527|2.031581|1.503089|0.044042|1.388666|1.287533|9.238516|2.122089|2.411539|1.403829|2.605039|5.650237|3.759772|6.101320|5.163367|7.414613|13.599824|36.858105| |1.427386|1.500602|1.682947|1.891106|3.351916|2.141475|2.079960|2.470066|0.048947|1.662797|2.029169|1.923147|1.401159|0.040690|1.300772|1.206547|8.642960|1.997985|2.238440|1.314606|2.295642|4.890384|3.094603|5.001596|4.049366|5.046616|7.976451|13.891548|36.858105| |1.514114|1.579277|1.774413|2.024602|3.644735|2.276963|2.158888|2.541798|0.049757|1.726766|2.096521|2.002497|1.431887|0.041305|1.326998|1.222779|8.744072|2.023200|2.247201|1.341737|2.330973|5.003961|3.048383|4.793990|3.989047|4.537485|6.888463|7.902490|13.578616|36.858105| |1.699618|1.780133|2.029639|2.367511|4.276656|2.707075|2.518271|2.897069|0.056057|1.958564|2.343793|2.234098|1.581953|0.045636|1.454721|1.327706|9.488766|2.183506|2.432872|1.472296|2.710331|6.016959|3.596504|5.422419|4.915992|5.201099|7.846179|6.775388|7.879695|13.870571|36.858105| |1.796966|1.917112|2.224184|2.603818|4.586588|3.098751|2.934431|3.299679|0.064027|2.177607|2.572812|2.414430|1.737451|0.050660|1.584288|1.440825|10.314822|2.352628|2.665808|1.604471|3.286555|7.711137|4.843164|6.977352|7.651294|8.133787|13.680208|7.880322|6.905782|8.016805|13.654991|36.858105| |2.134009|2.319486|2.788082|3.395418|5.869683|4.319182|3.979541|4.205629|0.079765|2.715116|3.105815|2.880732|2.055605|0.060176|1.843326|1.648303|11.793854|2.658380|3.042434|1.869967|4.495424|11.883782|6.792452|8.611111|10.864163|7.377619|7.314126|4.836368|4.245459|4.718775|6.788888|10.955637|388.023441| |1.577962|1.732998|1.989358|2.172887|3.625303|2.608404|2.771373|3.278894|0.067580|2.077753|2.509481|2.277614|1.774086|0.053421|1.622966|1.511375|10.901136|2.462567|2.918175|1.640697|3.458417|7.408125|5.838567|11.062065|6.965399|11.080092|6.922987|5.909399|4.146985|3.523400|3.684322|4.809208|31.760104|448.794386| |17.582004|8.945007|6.482429|5.632713|10.880735|3.955806|3.438256|4.919204|0.086515|4.655659|6.222910|8.238987|3.483381|0.085609|3.290021|2.647399|17.682308|4.057537|3.981534|3.096936|2.710335|4.484557|2.146644|3.543039|2.002435|1.757022|1.679130|1.500211|1.450651|1.546070|1.739065|1.829388|15.431525|12.672361|0.500000| |17.608260|8.966197|5.480727|4.337791|7.722920|3.301060|3.052782|4.597620|0.083638|4.428612|6.681846|10.163152|3.856334|0.090418|3.658444|2.979344|20.213566|4.742833|4.374147|3.634629|2.464493|4.003076|1.948235|3.275668|1.802599|1.599006|1.520660|1.369933|1.321437|1.394455|1.550279|1.632705|13.567788|11.735284|0.299289|0.500000| |17.583563|8.945069|6.493629|5.651361|10.924438|3.966277|3.445656|4.924474|0.086814|4.659575|6.216983|8.229149|3.486727|0.085568|3.105539|2.574470|18.177492|4.225955|4.086883|3.297269|2.715088|4.498052|2.151228|3.546715|2.008349|1.761230|1.684211|1.504233|1.455179|1.552216|1.747228|1.837064|15.508841|12.688423|0.303591|0.299274|0.500000| |3.439693|3.988657|5.586316|8.711561|12.934665|17.798775|9.129173|7.741295|0.127406|5.006126|5.054016|4.616482|3.045652|0.087668|2.610199|2.205122|15.635105|3.438487|3.928323|2.644278|6.895217|13.958618|5.178144|7.302312|4.665024|3.521707|3.201314|2.597931|2.405340|2.597634|3.178728|3.690004|39.380775|22.736785|0.096797|0.080446|0.097050|0.500000| |4.070741|5.075327|4.292341|3.263114|5.094996|2.954943|3.177395|5.482490|0.111866|4.988298|9.987164|10.062961|8.908678|0.175436|17.627001|8.791938|41.266816|8.348233|7.892520|6.737549|2.705739|4.093236|2.039182|3.600097|1.802291|1.611016|1.482968|1.339026|1.262961|1.295764|1.420979|1.534984|12.665255|12.306644|0.102900|0.119854|0.095049|0.070587|0.500000| |3.366785|4.253667|4.094799|3.242068|4.949741|3.114673|3.515785|6.217399|0.133959|5.124356|9.054708|7.398072|8.750590|0.218972|17.602728|8.715808|38.319936|7.224398|8.490010|5.602320|3.078378|4.534006|2.269254|4.069804|1.965920|1.752501|1.590543|1.429993|1.335654|1.359976|1.491498|1.630086|13.505100|13.515392|0.088831|0.093393|0.080916|0.074329|0.302565|0.500000| |2.778381|3.206819|2.904906|2.391648|3.823428|2.269406|2.471506|4.090367|0.087962|3.341239|5.819254|5.550380|5.721734|0.136635|8.664828|17.636188|57.187399|12.622718|9.872145|5.825701|2.241627|3.439478|1.770204|3.193770|1.573012|1.433512|1.319483|1.206519|1.136928|1.154326|1.249073|1.345531|10.858699|11.201532|0.071354|0.081987|0.069091|0.055975|0.225900|0.185946|0.500000| |2.539624|3.010026|2.898057|2.424109|3.809269|2.387720|2.692224|4.524017|0.101982|3.485537|5.815896|5.042899|6.067189|0.167273|8.630121|17.624606|57.759941|10.347647|12.956749|5.510043|2.508550|3.772203|1.956014|3.590672|1.708760|1.556100|1.413905|1.288764|1.203372|1.212852|1.312060|1.427917|11.553870|12.298365|0.066183|0.072150|0.063849|0.058838|0.176238|0.221369|0.300145|0.500000| |3.363836|4.257485|4.141017|3.289228|5.007558|3.174053|3.597245|6.357437|0.139327|5.200565|8.984561|7.312913|8.632022|0.215975|5.554769|5.300675|57.278539|10.798132|12.379790|17.624115|3.148769|4.638448|2.314840|4.140106|2.004854|1.783163|1.618257|1.452577|1.356637|1.382804|1.518932|1.661133|13.797664|13.711630|0.080833|0.092866|0.089109|0.075658|0.137176|0.123961|0.124012|0.124119|0.500000| |3.954404|4.902904|4.196602|3.214905|5.021688|2.927591|3.157120|5.433604|0.112190|4.888454|9.583097|9.511488|8.786508|0.174161|6.859949|6.287062|57.142634|12.228096|9.686807|17.617976|2.700151|4.089414|2.039203|3.600931|1.803003|1.612120|1.484124|1.340240|1.264110|1.296823|1.421950|1.535968|12.668846|12.316360|0.092637|0.116116|0.100565|0.070057|0.194189|0.138718|0.159112|0.131894|0.298124|0.500000| |2.611344|3.179622|4.047057|4.232719|6.129580|5.891932|8.916292|9.733907|0.211563|4.817065|5.203594|4.235208|3.565808|0.115281|2.907164|2.561504|19.061430|4.034822|5.195870|3.119237|17.581561|16.585942|7.292585|13.010378|4.799175|3.758378|3.040092|2.515329|2.210157|2.219592|2.541676|3.058397|28.423467|27.609693|0.069682|0.065365|0.071681|0.150142|0.073350|0.082672|0.062568|0.070505|0.093557|0.076846|0.500000| |2.610877|3.176611|4.047332|4.246122|6.152120|5.927157|8.922783|9.677757|0.205749|4.801942|5.184316|4.224409|3.539514|0.114450|3.038848|2.617440|18.379509|3.867179|4.949782|2.931220|17.587765|16.578601|7.320885|13.118785|4.803746|3.765179|3.041861|2.517256|2.210570|2.218472|2.539034|3.056203|28.365691|27.709028|0.071636|0.065304|0.069789|0.151453|0.076419|0.090624|0.063896|0.073216|0.083641|0.072785|0.302362|0.500000| |1.402434|1.497296|1.685508|1.862563|3.223990|2.145182|2.158017|2.578875|0.051999|1.703649|2.082993|1.944659|1.458029|0.042884|1.351501|1.261603|9.063521|2.083593|2.379032|1.365430|2.476479|5.244886|3.542892|6.003039|4.589170|6.669220|8.857214|17.746993|8.938261|5.621243|4.903391|5.618233|28.501536|53.046747|0.039319|0.036201|0.039402|0.065771|0.036074|0.038690|0.032831|0.035235|0.039254|0.036109|0.067232|0.067322|0.500000| |1.321554|1.383506|1.537096|1.708972|3.033152|1.910959|1.865000|2.245947|0.044713|1.521524|1.873584|1.781539|1.301375|0.037722|1.214639|1.133168|8.117468|1.884832|2.102056|1.226757|2.044377|4.255769|2.671211|4.416236|3.339875|4.073258|5.658033|8.977407|17.729453|8.876568|5.634088|4.970116|24.359703|29.170873|0.037285|0.034171|0.037391|0.058834|0.032794|0.034612|0.029752|0.031442|0.035120|0.032825|0.055058|0.055075|0.215377|0.500000| |1.448074|1.495922|1.664029|1.890042|3.437124|2.086298|1.966984|2.342201|0.045805|1.609742|1.968770|1.895624|1.345194|0.038588|1.252611|1.156942|8.265289|1.922243|2.114698|1.265976|2.088327|4.388040|2.619174|4.170833|3.280384|3.613078|4.960528|5.643416|8.877818|17.722357|8.984615|5.678482|27.532988|23.669928|0.041160|0.037169|0.041331|0.065517|0.034124|0.035585|0.030468|0.031827|0.036165|0.034152|0.055385|0.055349|0.124012|0.215178|0.500000| 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