Version2.0 2020-08-09T08:27:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 13-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN(C)C(=O)NC(=O)c1c2c(sc1NC(=O)COc3ccc(cc3)Cl)CCC2 C44452714 RHF 6-31G(d) (6D,7F) CN(C)C(=O)NC(=O)c1c2c(sc1NC(=O)COc3ccc(cc3)Cl)CCC2 C01[X(C19H20Cl1N3O4S1)] 138 C1 468 O=C(Nc1sc2c(c1C(=O)NC(=O)N(C)C)CCC2)COc1ccc(cc1)Cl O=C(Nc1sc2c(c1C(=O)NC(=O)N(C)C)CCC2)COc1ccc(cc1)Cl CN(C)C(=O)NC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc3CCCc13 InChIKey=QLLPVWFPIOFWKN-UHFFFAOYSA-N InChI=1S/C19H20ClN3O4S/c1-23(2)19(26)22-17(25)16-13-4-3-5-14(13)28-18(16)21-15(24)10-27-12-8-6-11(20)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,21,24)(H,22,25,26) InChI=1/C19H20ClN3O4S/c1-23(2)19(26)22-17(25)16-13-4-3-5-14(13)28-18(16)21-15(24)10-27-12-8-6-11(20)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,21,24)(H,22,25,26)/f/h21-22H CN(C)C(=O)NC(=O)c1c2c(sc1NC(=O)COc3ccc(cc3)Cl)CCC2 C01[X(C19H20Cl1N3O4S1)] 138 C01 468 O=C(Nc1sc2c(c1C(=O)NC(=O)N(C)C)CCC2)COc1ccc(cc1)Cl O=C(N[C]1SC2=[C]([C]1C(=O)NC(=O)N(C)C)CCC2)CO[C]1[CH][CH][C]([CH][CH]1)Cl CN(C)C(=O)NC(=O)[C]1[C](NC(=O)CO[C]2[CH][CH][C](Cl)[CH][CH]2)SC3=C1CCC3 InChIKey=QLLPVWFPIOFWKN-UHFFFAOYSA-N InChI=1S/C19H20ClN3O4S/c1-23(2)19(26)22-17(25)16-13-4-3-5-14(13)28-18(16)21-15(24)10-27-12-8-6-11(20)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,21,24)(H,22,25,26) InChI=1/C19H20ClN3O4S/c1-23(2)19(26)22-17(25)16-13-4-3-5-14(13)28-18(16)21-15(24)10-27-12-8-6-11(20)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,21,24)(H,22,25,26)/f/h21-22H 2745.5305772455 -2050.9565154 1-A 22163.4495 110 358 468 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.82135 -91.98536 -20.60546 -20.55610 -20.54890 -20.52704 -15.61867 -15.61316 -15.59952 -11.38983 -11.38076 -11.37548 -11.34160 -11.31535 -11.31261 -11.29383 -11.28223 -11.26163 -11.25660 -11.25508 -11.25320 -11.25145 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432.6069 465.3675 482.7958 519.9436 529.9209 564.4606 572.4682 579.4996 614.0335 615.6882 656.7211 665.8951 692.1791 698.3269 722.1389 736.8444 770.5475 773.6782 780.1196 818.1047 835.3525 874.5751 880.5785 914.5247 921.6860 933.1954 945.2914 956.2102 977.1329 1000.6439 1039.0809 1067.3351 1084.0421 1095.1912 1095.9016 1105.9017 1111.3770 1142.8520 1146.1086 1163.5334 1186.8375 1190.5883 1208.3602 1235.9648 1239.0361 1264.9302 1269.7150 1275.7525 1282.0436 1288.2365 1297.9068 1309.0604 1336.5233 1345.7718 1357.5874 1406.1286 1410.9901 1420.9063 1432.8141 1449.9530 1458.7558 1475.2802 1487.5549 1527.6831 1554.3437 1566.6152 1571.4063 1594.6439 1608.1235 1630.5036 1632.6818 1642.9447 1648.0847 1650.1967 1651.9438 1659.6004 1665.3525 1674.0667 1678.7282 1692.6629 1752.5388 1778.8897 1783.2952 1809.6954 1920.4539 2000.9264 2011.2314 3167.9445 3193.1689 3199.9889 3205.1095 3208.2388 3230.9449 3242.5376 3243.8373 3252.9444 3262.1519 3273.2532 3283.1726 3316.5049 3367.5715 3392.3528 3393.8590 3408.6972 3410.1378 3761.6256 3933.8321 3.9944 6.5050 3.7763 7.7160 3.5299 6.2566 3.2617 2.4207 7.4578 5.1429 1.5672 2.8319 3.3833 3.0769 3.5819 6.6470 2.2968 4.9307 3.1919 2.3485 6.5731 4.3299 6.0376 7.7490 8.0633 5.5335 5.8165 5.8032 5.4530 8.1299 4.3491 7.6881 3.0525 5.5741 4.3811 5.5202 1.1267 2.6267 6.3601 6.0871 5.0897 3.3922 6.1209 4.8902 6.7029 3.7750 3.2559 2.9598 1.5774 3.4854 6.3363 6.9149 7.6579 5.3054 2.4639 1.2825 6.0173 1.5708 5.3327 2.4659 1.5475 6.5325 1.3625 5.1760 2.1251 1.3342 3.3935 4.6231 2.1766 2.8550 1.7128 1.4160 3.0721 2.0730 3.9534 1.2355 2.7124 1.4045 1.9608 1.7746 2.1833 1.3391 2.3699 3.3642 1.3616 1.2249 1.0991 1.9120 4.4035 5.0449 1.3002 1.8928 1.6681 1.5921 3.6359 4.1650 2.3366 2.8086 1.1565 2.4648 1.1911 1.0957 1.0656 1.0967 1.1384 1.0659 1.0640 1.1160 1.1526 2.1637 1.8695 2.0675 6.5420 7.7869 5.5137 6.6878 11.5197 10.1797 1.0719 1.0486 1.0569 1.0674 1.0434 1.0785 1.1067 1.0860 1.0886 1.1030 1.0899 1.1075 1.1033 1.0980 1.0898 1.0908 1.0966 1.0957 1.0798 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1.6932 0.3312 0.3419 0.7948 3.9568 0.6496 4.1683 0.8601 4.3442 15.0579 1.1597 0.7479 0.7322 0.0958 0.4474 0.6591 7.4887 1.7523 2.0611 1.7955 5.7743 9.6117 4.6098 2.5015 2.4935 2.4246 8.3699 12.0071 8.6974 0.0701 3.1847 9.4160 1.9641 84.5787 12.5942 12.1089 16.2703 11.6056 14.3111 25.8567 3.3799 1.5661 8.3127 13.3234 37.2446 37.5143 0.9596 21.7536 34.4430 94.0132 6.8609 2.9046 12.4310 11.5761 72.4266 20.2495 0.5009 0.2172 34.4115 0.0098 13.4715 4.5976 0.1729 14.6152 71.0630 6.2575 20.1626 1.0340 20.3360 23.8350 61.6919 48.1116 7.3038 13.4480 15.4264 93.5462 12.5431 576.6144 52.3151 66.2473 779.2122 2.2657 18.3265 4.4415 100.2150 46.2147 469.4086 8.0562 36.4769 16.8073 2.7096 115.8716 106.3076 41.5738 4.7513 8.9057 20.0385 7.6815 6.8926 25.2467 7.3121 121.1364 71.6477 56.4237 5.5225 10.7375 391.5532 1231.4108 511.8546 13.9648 39.3556 36.1346 133.8872 710.7546 179.4962 68.9959 56.5260 28.4138 52.4161 61.6899 18.4649 24.0174 38.3317 54.2874 57.8291 23.9393 51.8250 28.6032 4.1998 12.4084 0.6791 7.1588 5.3770 177.2693 55.0053 5.6616 0.7445 0.5438 0.4938 0.7417 4.2117 0.5035 0.5446 0.1919 0.4211 0.7571 1.0046 0.0539 0.3397 0.7071 0.0296 0.7686 1.8687 0.3062 0.2261 1.2168 0.8079 0.6288 0.7029 1.2778 0.8622 0.7311 1.3372 1.3096 1.1605 0.8397 2.6611 0.0859 3.2095 3.0859 1.5633 2.0306 0.5922 11.2471 3.3247 2.9153 0.4419 5.0767 5.0961 7.2191 7.1477 0.8646 0.5509 1.3147 0.7236 1.9969 4.1410 1.9092 4.6871 13.0248 2.0128 4.5112 1.0195 35.0931 4.6849 1.9329 2.8399 2.2181 11.7285 10.3819 0.2155 1.7096 5.0679 0.5045 1.1804 2.6544 5.8059 2.1232 10.2412 3.8213 4.5073 11.0290 2.0406 7.2795 4.0624 5.6699 2.2522 2.2182 9.7500 6.0052 13.6337 15.0812 12.9014 1.0481 14.5937 1.6037 12.6879 19.9230 2.9159 28.5916 34.8139 92.2882 14.4049 9.1972 65.7174 10.0596 18.8690 16.9951 21.9521 11.7840 23.5615 7.4377 14.6383 20.2461 1.5481 19.3191 25.5085 8.5061 39.5865 53.6110 16.1036 17.9934 37.5359 106.6179 61.8898 74.6680 133.9499 170.3399 59.6013 25.2475 122.5111 153.0593 93.1873 104.3460 123.2726 51.7485 42.6685 1.7980 100.6015 44.8220 186.2278 73.2006 36.6529 0.7494 0.7496 0.7452 0.7499 0.7124 0.7495 0.7221 0.7428 0.7116 0.7073 0.5988 0.4267 0.7213 0.4342 0.7298 0.7475 0.7045 0.2248 0.7451 0.1009 0.6929 0.7382 0.7299 0.0744 0.2726 0.6303 0.4980 0.7240 0.7391 0.4867 0.2853 0.4949 0.7498 0.3850 0.1551 0.5890 0.6824 0.7414 0.4552 0.7471 0.7322 0.5291 0.2140 0.6484 0.6561 0.1539 0.7307 0.4527 0.7463 0.7499 0.7022 0.1634 0.7251 0.2440 0.1312 0.7488 0.4218 0.7383 0.0828 0.1735 0.3821 0.4920 0.7492 0.1686 0.7492 0.7474 0.1111 0.7436 0.5639 0.7417 0.6363 0.7200 0.0780 0.0933 0.7491 0.6869 0.2462 0.4319 0.1685 0.6782 0.6308 0.1883 0.4184 0.7326 0.7040 0.7373 0.7303 0.7191 0.2623 0.1828 0.7187 0.5802 0.3743 0.4453 0.4363 0.4303 0.1610 0.1681 0.7314 0.1269 0.6090 0.7441 0.7313 0.7197 0.5359 0.6875 0.6700 0.3601 0.5555 0.5803 0.5314 0.3133 0.7033 0.5830 0.4994 0.3475 0.1590 0.2093 0.2552 0.0936 0.0389 0.2348 0.0554 0.5494 0.7456 0.3323 0.1450 0.7431 0.3317 0.7182 0.7476 0.6178 0.3436 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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 7 6 6 8 7 6 8 6 6 6 16 6 7 6 8 6 8 6 6 6 6 6 6 17 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 12.00000 12.00000 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 1.00783 7476.6004 33988.5301 40868.8836 0.99997 0.00735 -0.00238 -0.00737 0.99995 -0.00671 0.00233 0.00673 0.99997 1 0.01158 0.00255 0.00212 0.24139 0.05310 0.04416 16.69 19.00 31.74 37.49 45.13 66.27 82.13 92.34 108.25 143.82 159.50 165.82 175.28 180.67 199.58 210.95 220.50 234.48 284.09 304.10 331.81 360.94 370.35 388.86 461.36 488.76 508.55 526.45 531.76 594.00 616.05 622.42 669.56 694.64 748.08 762.44 812.13 823.65 833.77 883.46 885.84 944.88 958.07 995.89 1004.74 1039.00 1060.15 1108.65 1113.15 1122.42 1177.07 1201.89 1258.32 1266.96 1315.80 1326.10 1342.66 1360.06 1375.77 1405.88 1439.70 1495.01 1535.66 1559.69 1575.74 1576.76 1591.15 1599.02 1644.31 1648.99 1674.07 1707.59 1712.99 1738.56 1778.28 1782.70 1819.95 1826.84 1835.52 1844.57 1853.49 1867.40 1883.45 1922.96 1936.27 1953.27 2023.11 2030.10 2044.37 2061.50 2086.16 2098.82 2122.60 2140.26 2198.00 2236.35 2254.01 2260.90 2294.34 2313.73 2345.93 2349.06 2363.83 2371.23 2374.27 2376.78 2387.79 2396.07 2408.61 2415.32 2435.36 2521.51 2559.43 2565.76 2603.75 2763.10 2878.89 2893.71 4557.97 4594.26 4604.07 4611.44 4615.94 4648.61 4665.29 4667.16 4680.26 4693.51 4709.48 4723.75 4771.71 4845.18 4880.84 4883.01 4904.35 4906.43 5412.14 5659.91 0.402318 0.428509 0.429453 0.339408 -2050.554197 -2050.528006 -2050.527062 -2050.617107 3.020124D-04 MUNgauss RevisionA2.0 retrievium 09-Aug-2020 DUDE CN(C)C(=O)NC(=O)c1c2c(sc1NC(=O)COc3ccc(cc3)Cl)CCC2 C44452714 RHF 6-31G(d) (6D,10F) C1 421.086306 |X|Y|Z| 63.374933 17.872083 133.520040 53.277812 18 6 7 8 16 15 1 1 1 |36.858105| |13.128092|53.358707| |7.720057|17.879723|36.858105| |7.898065|19.037575|7.655410|36.858105| |6.994156|11.506033|5.333191|15.986667|73.516695| |5.218624|11.216981|6.857637|13.567567|14.846021|53.358707| |3.915392|7.197493|4.703774|7.702476|11.736268|18.810337|36.858105| |3.681445|6.329436|4.029905|6.678646|11.905183|11.483985|15.847901|73.516695| |3.141340|5.500997|3.903727|5.084421|7.938649|10.726735|12.880677|14.385111|36.858105| |2.972227|5.145047|3.825234|4.390567|6.710310|8.679367|7.221216|9.132481|13.140405|36.858105| |2.461537|4.076346|3.066718|3.367244|5.357237|6.042112|5.078379|7.249240|8.192239|14.279681|36.858105| |2.207201|3.576482|2.641904|3.002112|4.961100|5.192619|4.741927|7.430265|7.323214|7.418481|11.010836|388.023441| |2.607269|4.339504|3.108109|3.858438|6.387356|7.048498|7.671366|11.916510|13.872480|8.213680|7.753940|77.897982|36.858105| |2.469865|4.003101|2.813954|3.574822|6.195999|6.060476|6.521075|12.633543|7.822791|5.225279|4.998167|49.494007|13.836561|53.358707| |2.107279|3.316412|2.358327|2.856484|5.019833|4.597079|4.445956|8.603210|5.132120|4.003924|4.126393|43.114728|7.782019|18.969109|36.858105| |1.919963|3.002024|2.169250|2.526881|4.391143|4.055033|3.746703|6.861787|4.518590|3.832365|4.230651|48.050934|6.694432|11.492496|16.014122|73.516695| |2.020745|3.109377|2.181410|2.666768|4.825041|4.088572|3.814686|7.886600|3.958760|3.156984|3.144891|29.116631|5.106195|10.824550|12.519185|14.097497|36.858105| |1.765106|2.676279|1.901132|2.237925|4.030918|3.379578|3.013502|5.975058|3.174188|2.678142|2.744630|25.249438|3.971464|7.261043|8.072948|12.755027|13.765041|73.516695| |1.650931|2.462178|1.742022|2.038297|3.714330|3.000183|2.603213|5.195547|2.656440|2.279610|2.307532|20.204531|3.154688|5.466766|5.226951|8.462790|8.049808|25.072510|36.858105| |1.477081|2.186573|1.560850|1.782665|3.228199|2.612142|2.217709|4.314300|2.289745|2.023273|2.077784|17.997295|2.681336|4.403173|4.089020|7.180342|5.284596|14.605991|13.679050|36.858105| |1.378078|2.016079|1.436759|1.629758|2.967784|2.351367|1.961343|3.812092|1.993585|1.779763|1.812819|15.248796|2.271805|3.640466|3.200509|5.568965|3.998489|9.426259|7.932631|13.841810|36.858105| |1.408898|2.045724|1.446395|1.655800|3.046458|2.357250|1.956568|3.854175|1.946463|1.725517|1.730961|14.305307|2.180904|3.505289|2.981292|5.014934|3.805231|8.231259|6.884983|7.967779|13.719660|36.858105| |1.554867|2.262219|1.584486|1.851029|3.437923|2.625523|2.201329|4.432649|2.152697|1.873206|1.854270|15.315337|2.408605|3.965238|3.337423|5.386200|4.514985|9.230773|7.938272|6.887484|7.944195|13.851110|36.858105| |1.703620|2.515090|1.758255|2.088305|3.868750|3.010124|2.589720|5.297304|2.546012|2.167656|2.144473|18.141685|2.921609|5.032450|4.401685|6.818444|6.730525|13.973637|13.766461|7.930504|6.865612|7.948043|13.695672|36.858105| |1.278289|1.833678|1.298080|1.466778|2.702706|2.062109|1.679104|3.273763|1.660257|1.493923|1.494835|12.080083|1.822092|2.847366|2.343434|3.987419|2.832926|5.780363|4.222116|4.768027|7.016559|10.916487|7.033819|4.756131|448.794386| |2.263750|3.663334|2.813928|2.894910|4.612251|4.914316|3.796210|5.605736|5.151512|7.980796|12.689956|45.837224|4.814617|4.888842|3.158549|5.871315|2.538495|4.075181|1.975431|1.817532|1.609076|1.535671|1.625219|1.843507|10.809301|36.858105| |2.570277|4.196122|3.229120|3.255642|5.082802|5.499198|3.938735|5.664402|4.973276|7.967133|8.097400|33.328091|4.181010|4.377002|2.766041|4.948365|2.305033|3.667170|1.809599|1.658285|1.486472|1.437396|1.530528|1.722487|10.208491|12.291504|36.858105| |3.192072|5.536996|4.255733|4.404532|6.528249|8.145765|5.497108|7.279292|6.927257|12.583732|8.131378|34.369841|4.988263|5.073410|3.040920|5.230558|2.538124|3.930887|1.935134|1.744131|1.561135|1.523402|1.643232|1.863761|10.766130|7.651647|12.283217|36.858105| |17.570479|12.476962|7.191206|5.898636|9.234396|6.028730|3.395075|5.581277|2.855843|2.799836|2.348707|14.774600|2.388631|3.046025|1.932000|3.171079|1.841509|2.892759|1.523387|1.375241|1.286014|1.309401|1.433222|1.561812|9.586712|2.212239|2.549353|3.107525|0.500000| |17.537744|12.317684|6.702069|6.356300|10.588736|6.117384|3.560349|6.163238|2.872255|2.679635|2.260241|14.721857|2.443336|3.212826|2.037236|3.293008|1.981752|3.091332|1.639770|1.468191|1.376782|1.414802|1.563930|1.704033|10.346653|2.075452|2.305127|2.808713|0.300066|0.500000| |17.693612|12.486053|5.656268|7.631360|14.385414|6.744733|3.866337|6.617974|3.083826|2.887000|2.402663|15.467762|2.580457|3.360260|2.109550|3.403099|2.038664|3.157910|1.667475|1.488160|1.391174|1.428047|1.581641|1.730935|10.410089|2.199763|2.489747|3.057082|0.300321|0.301053|0.500000| |6.313892|12.253384|17.512594|6.158572|8.053064|8.203545|4.269050|6.360089|3.778633|3.947293|3.173944|18.773380|3.001804|3.616431|2.244757|3.727299|2.051286|3.207235|1.648757|1.488622|1.369708|1.371018|1.490824|1.650193|9.901405|3.009629|3.593411|4.744439|0.185157|0.146948|0.137531|0.500000| |5.730636|12.343782|17.629856|7.184378|8.973744|10.345016|5.359307|8.002779|4.446441|4.251112|3.376152|20.831937|3.509125|4.293354|2.610699|4.249060|2.388525|3.674464|1.876526|1.673351|1.529459|1.533532|1.682561|1.882928|10.963971|3.021977|3.369520|4.513352|0.143792|0.148671|0.127725|0.299596|0.500000| |7.556802|12.520049|17.595966|5.819260|8.044554|6.884536|3.818802|6.117080|3.238739|3.161827|2.634446|16.538375|2.689323|3.393351|2.136064|3.508592|2.008400|3.148021|1.640627|1.478824|1.371759|1.386249|1.514584|1.664663|10.065397|2.453887|2.763089|3.455812|0.206722|0.208114|0.148185|0.301750|0.303561|0.500000| |4.915115|10.488397|7.576058|9.274947|10.954539|26.150320|9.368004|10.890966|7.569679|7.373901|4.892407|27.696422|4.929799|5.496347|3.143637|5.077866|2.747635|4.122771|2.055839|1.814071|1.634211|1.625899|1.789955|2.038049|11.474958|4.087497|4.809781|7.903387|0.123001|0.116231|0.125489|0.204905|0.234806|0.147631|0.500000| |2.701170|4.389825|3.005034|4.048526|7.189813|6.742601|7.644262|17.875853|7.438970|4.812125|4.314892|37.557546|9.543196|25.884480|9.228047|10.783782|7.606437|8.796644|3.940310|3.120065|2.633389|2.602571|3.015715|3.833564|17.042647|3.221382|3.014202|3.589818|0.066807|0.072016|0.075517|0.077201|0.093415|0.073882|0.118516|0.500000| |2.057531|3.137461|2.157557|2.724622|5.050860|4.106995|3.829596|8.116682|3.859539|3.075230|3.015097|26.948735|4.780830|9.681262|8.945558|11.103989|17.523812|16.525828|7.094705|4.794629|3.814073|3.766941|4.601633|6.781096|22.786289|2.450336|2.264678|2.500088|0.051895|0.055817|0.058449|0.056364|0.064718|0.055095|0.075759|0.206093|0.500000| |2.130115|3.285286|2.309274|2.816351|5.089139|4.279061|3.975813|8.501587|3.931594|3.092690|3.001852|26.628746|4.829448|9.952480|8.906669|10.849476|17.531614|16.533390|7.058793|4.774099|3.798025|3.750448|4.579690|6.744026|22.705528|2.436611|2.245689|2.515208|0.053495|0.058659|0.059318|0.059480|0.070904|0.059365|0.078964|0.217937|0.300933|0.500000| |1.435092|2.132658|1.533756|1.731332|3.107307|2.559809|2.169575|4.148034|2.286163|2.046876|2.137288|18.770904|2.705146|4.358236|4.118382|7.677117|4.904150|13.540598|8.956512|17.744934|8.908545|5.648235|4.961892|5.660748|31.510586|1.878449|1.692549|1.760650|0.037295|0.039474|0.040030|0.040885|0.045749|0.040287|0.049831|0.083555|0.120721|0.120324|0.500000| |1.282003|1.869084|1.338451|1.499226|2.719293|2.159946|1.783669|3.424452|1.823369|1.650596|1.691638|14.117958|2.063282|3.234805|2.807168|4.997868|3.339921|7.614714|5.642600|8.945252|17.746766|8.909195|5.655282|4.950460|53.652694|1.518973|1.401853|1.459826|0.033405|0.035570|0.035893|0.035604|0.039471|0.035598|0.041988|0.064560|0.088574|0.088253|0.214094|0.500000| |1.566205|2.257561|1.571387|1.843067|3.454383|2.576571|2.137269|4.327613|2.054581|1.789807|1.753586|14.221104|2.254957|3.666074|2.977729|4.771854|3.905468|7.439764|5.651137|4.961781|5.650242|8.952930|17.746348|8.912561|53.715062|1.544090|1.469922|1.585359|0.040013|0.043983|0.044422|0.040920|0.046098|0.041923|0.048599|0.078841|0.113368|0.112913|0.107714|0.124346|0.500000| |1.869461|2.767161|1.912334|2.328737|4.364456|3.339668|2.906970|6.134130|2.785294|2.321584|2.255974|18.908156|3.165843|5.583121|4.670966|6.867630|7.411828|12.433219|8.862614|5.626966|4.951916|5.672956|8.963316|17.761032|31.638402|1.919087|1.810068|1.987436|0.047173|0.051996|0.052979|0.049455|0.056935|0.050127|0.061904|0.123580|0.224692|0.223935|0.124101|0.107546|0.217028|0.500000| |2.050716|3.246140|2.452328|2.567116|4.184334|4.222769|3.291162|5.022116|4.304900|5.927705|8.754888|41.721534|4.239608|4.493106|3.001340|5.694469|2.431365|3.964708|1.928753|1.791355|1.587977|1.508489|1.585833|1.790668|10.644475|17.566852|8.666829|5.657860|0.055812|0.052432|0.055958|0.072394|0.072101|0.060273|0.094775|0.081990|0.065681|0.063913|0.051725|0.041832|0.041763|0.051401|0.500000| |2.151888|3.465454|2.731105|2.681896|4.254107|4.487677|3.423150|5.141564|4.470621|6.300812|8.863400|40.415483|4.282856|4.505226|2.975588|5.592446|2.414224|3.928910|1.912351|1.774154|1.573919|1.497071|1.575350|1.778597|10.569905|17.524324|8.654982|6.208841|0.058698|0.055401|0.057452|0.081195|0.082369|0.067016|0.103786|0.082630|0.063830|0.065012|0.051165|0.041447|0.041528|0.051127|0.302698|0.500000| |2.484922|3.966687|2.952469|3.105069|4.970086|5.077322|3.657128|5.375669|4.468240|6.502816|6.586645|30.229049|3.837454|4.125076|2.633811|4.706713|2.220712|3.544377|1.759358|1.615400|1.453379|1.408227|1.498557|1.680355|10.032526|8.813881|17.578260|8.820174|0.068664|0.061578|0.068087|0.090632|0.083607|0.070831|0.119068|0.079479|0.061502|0.059563|0.045725|0.038115|0.040061|0.049035|0.225488|0.175536|0.500000| |2.478363|3.986587|3.156243|2.981168|4.641652|4.861545|3.379211|4.969181|4.033923|5.788306|5.846968|27.331231|3.468537|3.777778|2.434430|4.368435|2.067863|3.330299|1.660986|1.534578|1.385581|1.341348|1.421518|1.585837|9.598670|8.644369|17.584123|8.650925|0.069530|0.062016|0.065942|0.099947|0.090500|0.076167|0.118502|0.073014|0.056236|0.056423|0.043528|0.036469|0.038030|0.046108|0.189628|0.219435|0.302862|0.500000| 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