Version2.0 2020-02-16T17:08:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCOc1cccc(c1)[C@H]2C(=C(Nc3n2nc(n3)SCc4ccccc4F)C)C(=O)OCC=C C54644093 RHF 6-31G(d) (6D,7F) CCCCOc1cccc(c1)[C@H]2C(=C(Nc3n2nc(n3)SCc4ccccc4F)C)C(=O)OCC=C C01[X(C27H29F1N4O3S1)] 189 C1 602 C=CCOC(=O)C1=C(C)Nc2n([C@H]1c1cccc(c1)OCCCC)nc(n2)SCc1ccccc1F C=CCOC(=O)C1=C(C)Nc2n([C@H]1c1cccc(c1)OCCCC)nc(n2)SCc1ccccc1F CCCCOc1cccc(c1)[C@@H]2n3nc(SCc4ccccc4F)nc3NC(=C2C(=O)OCC=C)C InChIKey=TZGWJFIVZDZUIF-DEOSSOPVSA-N InChI=1S/C27H29FN4O3S/c1-4-6-15-34-21-12-9-11-19(16-21)24-23(25(33)35-14-5-2)18(3)29-26-30-27(31-32(24)26)36-17-20-10-7-8-13-22(20)28/h5,7-13,16,24H,2,4,6,14-15,17H2,1,3H3,(H,29,30,31)/t24-/m0/s1 InChI=1/C27H29FN4O3S/c1-4-6-15-34-21-12-9-11-19(16-21)24-23(25(33)35-14-5-2)18(3)29-26-30-27(31-32(24)26)36-17-20-10-7-8-13-22(20)28/h5,7-13,16,24H,2,4,6,14-15,17H2,1,3H3,(H,29,30,31)/t24-/m0/s1/f/h29H CCCCOc1cccc(c1)[C@H]2C(=C(Nc3n2nc(n3)SCc4ccccc4F)C)C(=O)OCC=C C01[X(C27H29F1N4O3S1)] 189 C01 602 C=CCOC(=O)C1=C(C)Nc2n([C@H]1c1cccc(c1)OCCCC)nc(n2)SCc1ccccc1F C=CCOC(=O)C1=C(C)N[C@H]2N([C@H]1c1cccc(c1)OCCCC)N[C@H](N2)SCc1ccccc1F CCCCOc1cccc(c1)[C@@H]2N3N[C@H](N[C@H]3NC(=C2C(=O)OCC=C)C)SCc4ccccc4F InChIKey=HJXVHBCVVZQIPZ-OIKPOIBNSA-N InChI=1S/C27H33FN4O3S/c1-4-6-15-34-21-12-9-11-19(16-21)24-23(25(33)35-14-5-2)18(3)29-26-30-27(31-32(24)26)36-17-20-10-7-8-13-22(20)28/h5,7-13,16,24,26-27,29-31H,2,4,6,14-15,17H2,1,3H3/t24-,26+,27-/m0/s1 InChI=1/C27H33FN4O3S/c1-4-6-15-34-21-12-9-11-19(16-21)24-23(25(33)35-14-5-2)18(3)29-26-30-27(31-32(24)26)36-17-20-10-7-8-13-22(20)28/h5,7-13,16,24,26-27,29-31H,2,4,6,14-15,17H2,1,3H3/t24-,26+,27-/m0/s1 3793.8529025062 -1978.6395821 1-A 30649.8166 134 468 602 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892.5513 899.3328 914.1040 920.5463 960.1400 976.0958 980.7666 992.3168 995.4387 1007.0031 1018.8367 1024.4829 1042.2984 1077.2886 1080.1709 1081.9606 1095.6258 1096.6362 1102.2344 1104.5891 1110.1238 1112.3439 1119.2943 1136.5528 1146.1026 1146.9171 1164.1820 1189.8135 1195.6450 1200.0405 1210.7233 1211.8187 1226.6082 1235.2288 1251.4360 1271.6292 1282.8223 1284.6204 1306.2776 1307.7294 1326.5936 1333.1161 1350.4861 1368.8576 1373.6205 1389.2956 1392.1864 1395.0393 1422.5588 1426.7522 1427.8226 1433.6016 1436.0122 1440.9248 1446.9812 1447.9215 1449.8255 1460.3739 1487.6479 1505.7104 1532.2062 1537.3473 1567.2881 1567.6063 1571.0728 1589.5991 1607.7822 1622.7404 1626.6310 1629.1504 1636.0313 1636.7316 1641.8422 1643.4576 1644.1651 1655.7666 1657.0065 1658.4995 1664.2919 1675.3706 1681.3013 1751.0312 1786.5077 1790.3820 1792.4398 1819.3528 1819.8687 1845.1826 1885.9044 1964.8581 3185.3308 3195.3298 3200.3726 3210.7596 3214.1054 3227.1713 3238.9258 3255.9242 3261.9086 3264.9126 3268.0791 3288.8225 3306.6128 3310.7783 3313.4326 3331.8927 3342.6952 3350.6741 3353.6399 3357.7166 3363.0314 3374.3142 3377.7857 3389.4666 3399.5160 3401.7735 3406.6037 3414.2563 3901.2377 5.4619 5.9917 5.2520 5.2769 4.2505 4.6632 5.1096 4.2599 4.9780 3.6712 4.0785 2.2008 4.8242 4.4417 3.6019 4.9361 4.3753 2.9565 1.5920 2.0394 2.2677 3.5405 4.8152 6.0935 5.6929 5.2990 4.1670 1.4003 2.6807 6.9696 4.8830 5.1481 3.4017 4.4907 5.0938 4.1463 4.5017 3.7087 7.6209 3.8180 3.1044 1.3851 4.1612 3.3824 4.2440 3.2792 3.7647 4.7390 6.5433 5.3604 4.9046 4.4462 4.7618 4.4602 6.1444 6.5418 2.6368 2.9072 2.8488 4.9568 8.7564 2.7975 1.1020 4.8907 8.1566 6.4811 1.9707 4.3815 2.2016 1.6434 1.2878 5.2366 7.1693 4.4804 3.1980 2.1116 1.4565 1.6452 1.4907 1.8406 1.5197 2.3973 1.1404 1.3696 3.0438 2.9796 1.4213 1.3206 2.9430 3.3679 3.8931 1.3111 2.2663 2.1306 2.1426 1.3928 1.5269 3.1134 1.9287 3.2978 1.7698 2.3994 4.0104 2.8930 2.9839 1.1069 1.9114 1.8531 1.6609 2.1681 1.8922 3.5006 1.5703 3.7313 1.2862 3.3716 2.4479 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0.6045 2.4954 3.5296 2.2370 1.7370 1.1853 0.8255 0.9545 0.8703 1.0997 0.9295 1.4825 0.7300 0.9365 2.0924 2.0551 1.0052 0.9357 2.1066 2.4211 2.8268 0.9558 1.6728 1.6215 1.6582 1.0795 1.2193 2.5968 1.6245 2.7981 1.5285 2.0760 3.5550 2.6007 2.7533 1.0546 1.8533 1.8018 1.6698 2.1846 1.9620 3.6654 1.6874 4.1194 1.4299 3.8342 2.7954 1.2755 1.5978 1.8033 2.6317 1.8034 2.1239 3.6390 2.1418 1.4074 1.3049 5.7197 3.0230 2.0426 1.9314 2.0973 2.3591 1.8680 2.4392 2.2788 1.9621 3.0571 1.6483 4.1957 1.9094 1.6757 1.7927 1.7317 1.6590 1.7749 2.7145 2.9157 3.4540 4.4789 1.9453 15.5353 9.7866 9.7287 11.7042 11.1279 12.4289 14.0701 9.1100 28.4557 6.3280 6.3483 6.2771 6.7039 6.4527 6.7954 6.4433 6.9109 6.6382 6.9255 6.9553 6.7649 7.0022 7.0971 7.1634 6.9510 7.2536 7.2473 7.3359 7.2259 7.2524 7.3243 7.3623 7.4180 7.4407 7.4802 7.4767 7.6674 9.6804 0.2112 0.5405 0.1665 0.3386 0.7842 0.4924 0.1391 2.0547 1.2521 0.2732 0.2977 0.2084 1.7028 0.3197 0.6376 0.3339 1.5195 1.3052 0.6390 1.1033 0.4529 0.8016 1.8203 1.8286 0.6625 0.6611 0.6014 0.0758 1.0751 5.6546 6.6591 3.8799 4.0851 1.2604 1.0741 1.6362 22.5544 13.0079 0.4260 7.2126 2.3217 83.4176 7.4688 9.6190 4.3923 2.9623 2.5650 3.3457 2.4661 2.1587 1.8501 1.7281 6.5165 9.9621 5.4704 7.4538 0.5226 8.3609 2.5961 3.8999 5.9038 37.4959 0.4767 10.0574 14.4645 16.4404 69.9695 86.2871 16.7336 8.7032 12.4812 36.6295 0.5734 11.3911 3.9745 15.0036 2.2356 3.9142 5.9355 19.2670 0.1364 9.9902 0.4111 2.7403 7.6145 8.3482 91.5052 2.1042 30.4349 6.7993 24.5373 0.0430 1.5303 3.7027 0.2064 33.7452 4.7454 113.5199 10.8231 8.2504 3.4149 4.7462 219.8659 39.4680 41.7600 1.0919 26.3050 15.4250 2.6234 5.4018 60.6714 65.7154 1.3950 34.0086 1.6569 57.0328 20.7875 2.4166 30.7522 110.7583 529.2413 68.0844 155.6578 445.2141 108.6923 0.2921 0.1150 48.5210 255.7040 17.5326 7.5578 4.2177 156.7667 4.2277 75.2022 106.2012 6.2839 22.0966 8.4988 74.8512 10.7605 0.5814 7.5979 0.8655 5.2463 2.7201 4.2211 7.2707 106.3613 72.1110 0.1543 363.6597 331.9482 331.3952 24.2489 99.6332 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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 1.00783 1.00783 1.00783 1.00783 17828.3596 39219.1046 53698.2992 0.99974 0.02267 0.00166 -0.02266 0.99973 -0.00558 -0.00178 0.00554 0.99998 1 0.00486 0.00221 0.00161 0.10123 0.04602 0.03361 9.15 12.01 16.89 27.64 46.52 49.05 54.01 58.97 72.70 83.60 86.35 95.09 109.47 124.86 140.39 164.49 178.72 181.84 205.16 222.22 226.04 246.03 260.55 272.18 318.80 344.60 345.56 379.78 388.64 392.56 406.34 435.77 458.09 473.29 500.45 526.93 552.07 578.99 606.61 623.59 636.86 651.47 676.23 704.12 731.09 739.11 755.37 778.22 830.64 843.60 868.19 921.92 932.45 941.62 946.60 981.21 1016.20 1039.69 1095.09 1114.31 1116.81 1141.48 1151.82 1201.83 1202.63 1220.74 1223.18 1246.70 1256.08 1266.11 1284.18 1293.94 1315.19 1324.46 1381.43 1404.38 1411.10 1427.72 1432.21 1448.85 1465.88 1474.00 1499.63 1549.98 1554.13 1556.70 1576.36 1577.81 1585.87 1589.26 1597.22 1600.41 1610.41 1635.25 1648.99 1650.16 1675.00 1711.88 1720.27 1726.59 1741.96 1743.54 1764.82 1777.22 1800.54 1829.59 1845.70 1848.28 1879.44 1881.53 1908.67 1918.06 1943.05 1969.48 1976.33 1998.89 2003.05 2007.15 2046.74 2052.78 2054.32 2062.63 2066.10 2073.17 2081.88 2083.24 2085.98 2101.15 2140.39 2166.38 2204.50 2211.90 2254.98 2255.44 2260.42 2287.08 2313.24 2334.76 2340.36 2343.98 2353.88 2354.89 2362.24 2364.57 2365.59 2382.28 2384.06 2386.21 2394.54 2410.48 2419.02 2519.34 2570.39 2575.96 2578.92 2617.64 2618.39 2654.81 2713.40 2826.99 4582.98 4597.37 4604.62 4619.57 4624.38 4643.18 4660.09 4684.55 4693.16 4697.48 4702.04 4731.88 4757.48 4763.47 4767.29 4793.85 4809.39 4820.87 4825.14 4831.01 4838.65 4854.89 4859.88 4876.69 4891.15 4894.39 4901.34 4912.35 5613.01 0.563061 0.596176 0.597120 0.489271 -1978.076521 -1978.043406 -1978.042462 -1978.150311 3.617273D-04 MUNgauss RevisionA2.0 retrievium 16-Feb-2020 DUDE CCCCOc1cccc(c1)[C@H]2C(=C(Nc3n2nc(n3)SCc4ccccc4F)C)C(=O)OCC=C C54644093 RHF 6-31G(d) (6D,10F) C1 508.194441 |X|Y|Z| 142.525770 96.072238 33.261420 76.938556 23 6 7 16 18 4 1 |36.858105| |12.465781|36.858105| |7.487052|12.454588|36.858105| |4.886365|7.516044|12.546498|36.858105| |3.883447|5.096104|8.068163|13.567852|73.516695| |3.083246|3.883506|5.224639|7.981800|25.125789|36.858105| |2.830345|3.594427|4.396024|6.695913|13.998345|13.777366|36.858105| |2.345173|2.848517|3.334463|4.498056|9.250289|7.960631|13.679713|36.858105| |2.136815|2.517408|2.974074|3.781103|8.213336|6.855248|7.898860|13.849260|36.858105| |2.240948|2.612144|3.197937|3.975449|9.417108|7.907116|6.838637|7.954465|13.643582|36.858105| |2.647848|3.145067|4.088326|5.249902|14.596687|13.648234|7.925614|6.916780|7.950429|13.843635|36.858105| |1.971154|2.224231|2.665756|3.106976|7.015665|5.007421|4.418042|5.012958|7.496695|12.481136|7.588300|36.858105| |2.032474|2.266515|2.752184|3.120825|7.169750|4.821891|4.003862|4.210195|5.591570|8.941703|7.451972|17.656023|0.500000| |1.792511|2.002297|2.345744|2.690981|5.819952|3.993793|3.723682|4.303075|6.051863|7.471865|5.311681|12.450389|0.247196|36.858105| |1.607350|1.783601|2.042585|2.323680|4.843390|3.259246|3.191834|3.786843|5.118639|5.403356|4.017007|7.538059|0.162205|14.163060|36.858105| |1.544334|1.712606|1.945362|2.213160|4.556484|3.061729|3.057979|3.688033|4.955582|4.964231|3.694929|6.650056|0.143657|8.072653|13.774302|53.358707| |1.619584|1.799771|2.061078|2.349767|4.894810|3.306220|3.245851|3.870501|5.267629|5.533368|4.077845|7.706128|0.165694|6.932241|7.996826|19.010075|36.858105| |1.804133|2.018602|2.364714|2.719978|5.878725|4.056320|3.791238|4.407424|6.269465|7.753722|5.410986|13.134149|0.258152|7.925064|6.985757|11.179741|14.493790|53.358707| |1.831306|2.040147|2.385515|2.712373|5.803447|3.878314|3.590634|3.988893|5.135071|6.111083|4.941181|7.661658|0.195356|5.132688|4.682594|7.479774|8.762548|19.064559|53.358707| |1.648364|1.821810|2.080985|2.341726|4.829927|3.163147|3.059480|3.457729|4.284463|4.585297|3.776354|5.484041|0.137841|4.323694|4.350030|7.617641|9.260549|12.552487|20.061861|36.858105| |1.535800|1.695676|1.918485|2.162867|4.413453|2.908032|2.884084|3.365031|4.250176|4.325879|3.437764|5.334618|0.127209|4.714996|5.269406|10.825533|14.625189|11.939151|11.551481|14.012785|53.358707| |1.565441|1.710308|1.920665|2.117358|4.240501|2.669150|2.598396|2.828685|3.243503|3.385744|3.018742|3.727280|0.099358|3.098506|3.111079|5.111218|5.052466|6.870826|9.726165|10.819699|9.412349|388.023441| |1.377830|1.497500|1.652579|1.814845|3.562440|2.234337|2.232739|2.471432|2.799860|2.802835|2.474011|3.080430|0.080513|2.757607|2.919703|4.936271|4.524674|5.469421|6.473143|6.905216|8.881985|74.091715|36.858105| |1.300278|1.401357|1.528432|1.657260|3.201577|1.968580|1.968660|2.134588|2.344157|2.344082|2.133282|2.511334|0.066934|2.271809|2.372102|3.836616|3.336942|4.210366|4.913230|4.628953|5.861233|49.730796|12.635598|36.858105| |1.234972|1.317927|1.434023|1.534610|2.959569|1.794463|1.772755|1.894054|2.072049|2.107363|1.947169|2.280068|0.061983|2.084196|2.163598|3.420852|2.913881|3.734244|4.303205|3.865953|4.910312|38.879260|7.522878|13.697645|36.858105| |1.169137|1.240049|1.336748|1.418988|2.705441|1.622084|1.606695|1.699140|1.827705|1.850807|1.735422|1.969685|0.053829|1.813860|1.871038|2.897866|2.411621|3.134819|3.556122|3.056005|3.907340|28.947185|5.001354|7.871561|13.764449|36.858105| |1.159161|1.231611|1.317945|1.401624|2.646475|1.585095|1.586707|1.677162|1.779640|1.777520|1.672858|1.855515|0.050355|1.708661|1.759438|2.714124|2.241681|2.923685|3.297799|2.799793|3.591780|26.048817|4.425125|6.809947|7.950244|13.743648|36.858105| |1.211680|1.297725|1.388641|1.491460|2.811408|1.698654|1.719992|1.834292|1.939520|1.908992|1.783333|1.969554|0.052792|1.803619|1.861966|2.901032|2.411629|3.128196|3.540627|3.043765|3.906417|28.595045|5.006459|7.850993|6.886719|7.939523|13.766986|36.858105| |1.284744|1.386797|1.497736|1.626096|3.097801|1.898146|1.926019|2.083653|2.236501|2.192943|2.014456|2.279550|0.060430|2.068440|2.149187|3.425018|2.913405|3.722897|4.276796|3.842671|4.908412|38.104165|7.559278|13.769959|8.052520|6.948728|8.013695|13.821299|36.858105| |1.335556|1.454885|1.568835|1.724166|3.271262|2.026645|2.094311|2.296853|2.445260|2.338616|2.129197|2.380633|0.062057|2.154468|2.243549|3.597956|3.055911|3.886827|4.419646|3.951811|5.117147|36.615378|6.777077|8.148814|5.314387|4.677261|5.315868|8.192977|14.307479|97.533100| |1.469935|1.616503|1.820371|2.041475|4.142758|2.705487|2.692607|3.128084|3.890389|3.924514|3.164473|4.799780|0.114631|7.434338|12.601080|10.748467|5.164201|6.140434|4.675448|3.323729|5.421015|18.224752|2.506518|2.094416|1.936442|1.699058|1.603621|1.686360|1.917342|4.484585|36.858105| |1.858828|2.064288|2.430723|2.745922|5.946161|3.925335|3.552347|3.855810|4.892438|6.037131|5.070593|7.615390|0.199529|12.886622|7.619271|6.910545|4.521029|6.974430|5.275226|3.306571|4.718862|18.144831|2.286095|1.944921|1.814408|1.606657|1.519402|1.590458|1.791092|4.171577|6.137463|36.858105| |2.030527|2.248351|2.703656|3.013232|6.708043|4.283956|3.648314|3.726951|4.514293|5.938353|5.674173|6.933470|0.212790|8.124697|5.346595|5.526310|3.894403|6.302475|5.080127|3.108142|4.243931|17.513660|2.161247|1.863639|1.751880|1.561282|1.477128|1.539392|1.721228|3.988553|4.450227|15.966864|73.516695| |1.713562|1.889052|2.173938|2.429519|5.056790|3.258080|3.079000|3.361899|4.047903|4.480315|3.885447|5.156457|0.133746|8.037128|6.742206|6.165644|3.811653|5.435223|4.283616|2.815955|4.122497|15.922749|2.072172|1.782901|1.670386|1.490718|1.414935|1.478578|1.653167|3.852611|6.974368|14.369672|15.342835|73.516695| |1.720256|1.876037|2.144581|2.345583|4.799354|2.968584|2.779597|2.910263|3.304168|3.635089|3.399966|3.938280|0.107955|5.169520|4.486421|4.607867|2.986516|4.293295|3.571819|2.361956|3.380826|13.843941|1.804739|1.582651|1.497589|1.351916|1.287026|1.337479|1.477947|3.428936|4.753197|8.121163|12.918283|23.735427|36.858105| |1.553060|1.683638|1.882083|2.046922|4.065577|2.495669|2.414199|2.554877|2.832650|2.965277|2.757684|3.155788|0.084855|4.040372|3.867131|4.129895|2.629869|3.642518|3.083081|2.095845|3.044310|12.498512|1.666787|1.473292|1.396789|1.268321|1.211804|1.258629|1.383692|3.213427|4.502509|5.296141|8.291840|14.364446|12.724231|36.858105| |1.436402|1.537355|1.701733|1.819847|3.573270|2.153306|2.077281|2.174746|2.383463|2.499585|2.359085|2.680712|0.073404|3.306627|3.232922|3.590776|2.317769|3.185203|2.752285|1.892210|2.740386|11.479613|1.543270|1.376762|1.316930|1.202030|1.146407|1.183309|1.292427|2.981211|3.773582|4.105780|6.718981|9.834909|7.663586|14.459997|36.858105| |17.541710|8.777961|6.787875|4.516421|6.688491|2.995365|2.712114|2.267582|2.092183|2.215930|2.620632|1.967990|0.056811|1.772457|1.589717|2.091396|1.624814|2.472217|2.540257|1.678348|2.110086|11.443155|1.406379|1.332584|1.269848|1.204274|1.192907|1.243518|1.315532|3.063607|1.446891|1.824489|3.548664|2.970733|1.668156|1.501754|1.393267|0.500000| |17.551546|8.776507|5.460907|4.054235|5.809322|2.701757|2.551670|2.152433|1.956736|2.022950|2.339561|1.791410|0.050941|1.644351|1.489963|1.956378|1.501310|2.252789|2.285724|1.527694|1.947795|10.385866|1.297883|1.231548|1.170797|1.113656|1.108544|1.158867|1.222939|2.863037|1.372902|1.698732|3.263755|2.811333|1.589145|1.450648|1.347750|0.301631|0.500000| |17.540642|8.777345|6.787610|4.516065|6.688867|2.992739|2.711048|2.265650|2.089365|2.211900|2.615982|1.963639|0.056604|1.803015|1.610608|2.087691|1.598092|2.422784|2.437019|1.608502|2.050531|10.786002|1.339039|1.260174|1.200964|1.135217|1.120764|1.167416|1.238747|2.887292|1.480283|1.896768|3.715822|3.120118|1.783601|1.606927|1.490348|0.301706|0.301616|0.500000| |8.866216|17.507614|8.845011|6.896252|8.382054|3.748919|3.595017|2.862942|2.499236|2.549935|3.021123|2.164587|0.060655|1.981292|1.772178|2.302501|1.757492|2.660100|2.651628|1.749530|2.242757|11.595811|1.443670|1.348090|1.265795|1.190763|1.183890|1.249260|1.335676|3.162904|1.620481|2.058562|3.960739|3.389093|1.906585|1.723633|1.570408|0.173039|0.213008|0.210863|0.500000| |8.866641|17.509268|8.845823|6.897289|8.381373|3.754033|3.597400|2.866763|2.504009|2.556077|3.028263|2.170394|0.060909|1.941235|1.744652|2.307442|1.792974|2.725490|2.785230|1.839838|2.320793|12.418153|1.528489|1.437198|1.346630|1.270604|1.269250|1.343163|1.432695|3.397282|1.577255|1.967686|3.761439|3.201260|1.768326|1.596479|1.458711|0.210893|0.213010|0.173038|0.303796|0.500000| |6.846067|8.823002|17.539466|8.946587|13.145933|4.933728|4.048730|3.157596|2.888917|3.167473|4.062088|2.687042|0.078228|2.322282|2.022304|2.646196|2.088510|3.287396|3.386701|2.159443|2.669305|14.343301|1.712296|1.589541|1.496323|1.395623|1.373340|1.442869|1.554238|3.643132|1.788929|2.376764|4.712218|3.742136|2.060405|1.803296|1.639668|0.203073|0.140042|0.168615|0.173294|0.211064|0.500000| |6.845684|8.822579|17.537814|8.945140|13.150171|4.922444|4.045473|3.152571|2.881676|3.155928|4.045133|2.676139|0.077695|2.391967|2.065638|2.638808|2.033003|3.174454|3.154197|2.017195|2.552375|13.114830|1.595379|1.471279|1.387572|1.291698|1.266898|1.328161|1.432396|3.358146|1.852884|2.542604|5.123901|4.052964|2.289399|1.993305|1.803675|0.168607|0.140036|0.203056|0.211041|0.173298|0.303429|0.500000| |4.527887|6.837870|8.838154|17.527270|16.532411|7.073186|6.779296|4.591481|3.746745|3.794200|4.771232|2.967634|0.081407|2.655145|2.309465|2.964111|2.267478|3.512884|3.425982|2.201654|2.822098|14.058230|1.725622|1.574279|1.456722|1.348604|1.334345|1.421252|1.548073|3.705715|2.058201|2.748161|5.302250|4.407730|2.417657|2.128790|1.882089|0.111180|0.108381|0.119604|0.205910|0.170230|0.174151|0.213036|0.500000| |4.526634|6.833826|8.836501|17.531173|16.536184|7.111328|6.796712|4.608195|3.763912|3.815920|4.801767|2.983624|0.082055|2.560741|2.249409|2.975322|2.346508|3.670237|3.734053|2.392851|2.984726|15.622873|1.878183|1.723441|1.585537|1.469509|1.461837|1.566105|1.707055|4.104152|1.971287|2.541242|4.847993|4.014014|2.151001|1.900483|1.696866|0.119597|0.108347|0.111150|0.170093|0.205788|0.213104|0.174125|0.300969|0.500000| |3.037591|3.992524|4.665265|7.399923|12.468062|8.875845|17.763620|8.922202|5.645865|4.937956|5.626240|3.538167|0.091034|3.096112|2.732452|3.592368|2.773264|4.277715|4.133290|2.664605|3.435118|16.635700|2.042183|1.831203|1.655232|1.516093|1.509091|1.636709|1.813316|4.445741|2.376057|3.006292|5.493099|4.780301|2.487305|2.207242|1.921651|0.079499|0.076802|0.079535|0.113529|0.113420|0.115256|0.115373|0.226237|0.225327|0.500000| |2.191255|2.643896|2.976025|3.898409|7.456229|5.664971|8.934324|17.710551|8.958997|5.649959|4.974167|4.083189|0.096515|3.707940|3.444639|4.665007|3.518041|5.156568|4.730478|3.157103|4.278458|18.850791|2.388642|2.081741|1.838019|1.658979|1.652634|1.820231|2.061077|5.178397|2.953035|3.336556|5.637685|5.392498|2.654392|2.402468|2.060849|0.058602|0.056714|0.058563|0.074764|0.074841|0.077947|0.077861|0.113347|0.113625|0.216796|0.500000| |1.909085|2.211368|2.548207|3.126766|6.514762|4.942861|5.631738|8.956580|17.717583|8.852407|5.646732|6.928106|0.140020|6.295079|5.962095|8.316418|6.183279|8.908947|6.943458|4.544275|6.596553|23.831183|3.002574|2.469084|2.159533|1.890982|1.840052|2.016343|2.348700|5.827492|4.453118|4.740588|7.340340|7.265321|3.246938|2.857645|2.407724|0.052026|0.049067|0.051952|0.061234|0.061353|0.069081|0.068912|0.086811|0.087173|0.124382|0.216240|0.500000| |2.695619|3.117647|4.126553|4.882777|13.557956|8.962484|5.663440|4.977311|5.638680|8.911537|17.746293|7.014455|0.229050|5.001053|3.755788|4.662954|3.790749|6.868584|6.467065|3.606226|4.408514|20.886310|2.386323|2.074801|1.922740|1.717177|1.642465|1.731220|1.942157|4.546044|3.001766|5.032828|10.895536|6.755909|3.414845|2.725312|2.363774|0.075080|0.065493|0.074940|0.081888|0.082071|0.117559|0.117032|0.120335|0.120972|0.124220|0.107929|0.123778|0.500000| |1.432185|1.578332|1.770846|1.995590|4.033126|2.658668|2.687265|3.203194|4.070107|3.967631|3.105379|4.942723|0.114066|5.851642|9.200477|26.099930|9.443372|8.127363|6.190562|4.942178|9.907974|25.231750|3.658379|2.852434|2.547315|2.157180|2.018303|2.154905|2.542801|5.992096|7.522490|4.179237|6.087307|7.028255|3.060642|2.845074|2.522285|0.039585|0.037243|0.039498|0.043406|0.043521|0.049140|0.048976|0.054768|0.055010|0.065785|0.085097|0.137904|0.080752|0.500000| |1.327367|1.436281|1.587272|1.734469|3.419154|2.139512|2.121126|2.347314|2.691179|2.728990|2.396141|3.095816|0.081369|2.842921|3.069403|5.248250|4.724584|5.501888|6.224949|6.538893|9.357262|56.357466|17.648626|8.900680|7.057843|4.698307|3.971363|4.214568|5.693411|11.381328|2.657703|2.349439|3.917633|3.806293|1.857713|1.720128|1.600030|0.037572|0.034717|0.036038|0.038569|0.040454|0.045560|0.042915|0.046012|0.049357|0.053748|0.062776|0.080680|0.064795|0.110635|0.500000| |1.382047|1.512212|1.663541|1.846155|3.607199|2.289583|2.334506|2.637317|2.985656|2.892189|2.511927|3.117922|0.079451|2.823181|3.039088|5.246896|4.735626|5.524009|6.263115|6.573078|9.355381|56.358576|17.679154|8.875013|5.628827|4.195981|3.973479|4.728510|7.144778|17.417826|2.614909|2.320146|3.856210|3.765083|1.833519|1.703097|1.568001|0.038978|0.036238|0.037252|0.040707|0.042974|0.047516|0.044501|0.049096|0.053285|0.059361|0.071855|0.090975|0.066111|0.109462|0.302592|0.500000| |1.233649|1.313034|1.435839|1.531621|2.975363|1.802116|1.762594|1.879855|2.078266|2.144578|1.978671|2.368153|0.064993|2.173856|2.258971|3.565710|3.041035|3.892034|4.466342|4.004764|5.110925|38.681011|6.996212|8.948249|17.709774|8.929375|5.652173|4.958525|5.700038|9.612816|2.019897|1.891272|3.246630|3.088501|1.555466|1.446623|1.367730|0.035246|0.032402|0.033467|0.035025|0.037065|0.041648|0.038811|0.040375|0.043634|0.045474|0.050284|0.060105|0.054761|0.073780|0.210584|0.142764|0.500000| |1.123783|1.184792|1.274922|1.343442|2.558183|1.522784|1.499766|1.575429|1.691843|1.725540|1.629551|1.843201|0.050815|1.708919|1.757559|2.689048|2.212890|2.894935|3.250955|2.735779|3.515928|24.906676|4.082841|5.621031|8.924728|17.727162|8.903961|5.645283|4.991990|8.326831|1.608512|1.528625|2.651285|2.529824|1.298621|1.220444|1.162894|0.032198|0.029760|0.030388|0.031595|0.033630|0.037008|0.034344|0.035485|0.038479|0.039385|0.042631|0.048409|0.045114|0.055607|0.111432|0.096656|0.215538|0.500000| |1.108096|1.171729|1.246194|1.317433|2.470962|1.469251|1.471059|1.544501|1.625252|1.622968|1.539942|1.684032|0.045881|1.559517|1.600565|2.439774|1.990351|2.612992|2.916501|2.424390|3.126446|21.761037|3.541001|4.919596|5.648349|8.902056|17.722668|8.938351|5.681824|9.626964|1.470976|1.400935|2.429860|2.330272|1.200583|1.134381|1.077047|0.031700|0.029535|0.029755|0.031299|0.033571|0.036062|0.033286|0.034890|0.038162|0.039102|0.042382|0.046475|0.042099|0.050376|0.090410|0.090483|0.124177|0.214258|0.500000| |1.195048|1.280372|1.360248|1.460918|2.728703|1.643936|1.678179|1.785233|1.862904|1.816179|1.705646|1.847409|0.049394|1.697573|1.748328|2.700679|2.219254|2.893431|3.239015|2.728920|3.526067|24.594207|4.104662|5.629465|4.961580|5.627593|8.842230|17.741039|8.981640|16.856265|1.592879|1.507023|2.596552|2.501435|1.278285|1.207206|1.134925|0.034027|0.031872|0.031894|0.034291|0.036965|0.039167|0.036024|0.038767|0.042812|0.044723|0.049620|0.053681|0.045798|0.055663|0.097481|0.112931|0.107660|0.123637|0.212989|0.500000| |1.491517|1.648438|1.847669|2.086488|4.195604|2.750301|2.791604|3.271750|3.979041|3.855654|3.140096|4.370647|0.104099|6.473144|8.877173|8.388057|4.378117|5.408312|4.222944|2.978369|4.732810|16.690537|2.292742|1.942493|1.790603|1.586946|1.512917|1.598040|1.805770|4.262658|17.625322|5.899125|7.678810|13.089403|5.084598|5.069070|4.058784|0.040504|0.038781|0.041763|0.046293|0.044606|0.049914|0.052317|0.059245|0.055805|0.068827|0.087036|0.126714|0.081397|0.163008|0.066429|0.067028|0.051373|0.041714|0.038731|0.042272|0.500000| |1.373806|1.504762|1.678348|1.872691|3.751047|2.428613|2.445342|2.843782|3.463839|3.412658|2.789062|4.087996|0.098869|5.586863|8.901048|10.642740|5.041152|5.632866|4.440641|3.293702|5.567592|18.331536|2.611395|2.175614|2.008657|1.757537|1.656544|1.742758|1.986291|4.640420|17.584711|4.596673|6.381048|8.897654|3.778030|3.719187|3.270903|0.037660|0.035816|0.038288|0.041845|0.041035|0.045995|0.047147|0.052308|0.050745|0.060683|0.076075|0.111881|0.073548|0.250451|0.077930|0.076296|0.058217|0.046153|0.042130|0.045639|0.301266|0.500000| |1.442033|1.572168|1.770958|1.958095|3.973808|2.542796|2.479589|2.791125|3.387385|3.551507|2.978234|4.383683|0.110838|6.626996|8.845377|8.140081|4.388773|5.475215|4.293737|3.020927|4.768166|16.942134|2.314621|1.961278|1.841631|1.624886|1.526051|1.588804|1.789736|4.137062|17.658390|6.304572|8.237709|13.744352|5.383412|5.127782|4.392367|0.039473|0.037382|0.040582|0.043738|0.042369|0.048434|0.050515|0.054743|0.052113|0.061214|0.072686|0.102985|0.080625|0.159117|0.068590|0.065940|0.053767|0.043081|0.039050|0.041642|0.303554|0.301437|0.500000| |1.695685|1.827345|2.093441|2.247498|4.611466|2.792692|2.562633|2.638839|2.989527|3.374915|3.228906|3.762765|0.107776|4.745762|4.095739|4.318475|2.861681|4.150349|3.507342|2.314220|3.277255|13.678877|1.774672|1.562824|1.491854|1.347973|1.276681|1.318020|1.451766|3.339943|4.242243|7.219955|12.893360|16.461021|17.630356|8.874619|7.225964|0.045967|0.043422|0.049057|0.051183|0.047724|0.056438|0.062437|0.063505|0.057191|0.063943|0.066636|0.081084|0.093159|0.080058|0.050991|0.049573|0.043297|0.036137|0.033119|0.034890|0.118836|0.096345|0.138023|0.500000| |1.876385|2.060960|2.372742|2.607299|5.347052|3.284347|3.049726|3.119361|3.452145|3.803264|3.689657|3.883429|0.106862|4.777006|4.008256|4.252628|2.832429|4.159676|3.510736|2.296051|3.231772|13.558419|1.750371|1.542599|1.455630|1.319107|1.262254|1.315491|1.450518|3.379895|4.031075|7.339275|13.262260|16.556730|17.612983|8.889007|6.004330|0.050140|0.047935|0.054343|0.058606|0.053462|0.062494|0.071206|0.075630|0.065367|0.075922|0.078342|0.091487|0.102517|0.077984|0.049544|0.049480|0.041773|0.035151|0.032763|0.035054|0.121489|0.091399|0.119546|0.302137|0.500000| |1.541075|1.682733|1.868171|2.054890|4.041392|2.508769|2.486552|2.672795|2.935579|2.969706|2.726283|3.080632|0.080782|3.930142|3.870277|4.175692|2.628001|3.594099|3.038050|2.080853|3.046487|12.410951|1.667499|1.473167|1.387871|1.261322|1.211254|1.264605|1.391806|3.254973|4.603753|4.864886|7.444584|12.757067|8.689035|17.677868|9.157490|0.041226|0.040144|0.044076|0.048150|0.044523|0.049426|0.054546|0.059949|0.053300|0.063452|0.070858|0.083325|0.073200|0.080481|0.047593|0.047751|0.039709|0.033601|0.031494|0.033804|0.154658|0.106579|0.137173|0.171761|0.205480|0.500000| |1.349264|1.440391|1.577336|1.683443|3.263413|1.960986|1.916332|2.011636|2.179008|2.244430|2.117716|2.379895|0.064693|2.883155|2.888312|3.292334|2.125602|2.885949|2.518879|1.751616|2.546008|10.736855|1.458675|1.308679|1.252908|1.148426|1.098509|1.133746|1.233851|2.848343|3.413315|3.415328|5.591844|7.844178|5.491389|9.106493|17.719548|0.036310|0.035373|0.038810|0.040998|0.038102|0.042173|0.046214|0.048518|0.043875|0.049722|0.053638|0.061608|0.058526|0.065246|0.041991|0.041291|0.036051|0.030889|0.028739|0.030284|0.103109|0.084853|0.107671|0.142663|0.129613|0.218310|0.500000| |1.427669|1.516134|1.682489|1.779356|3.505720|2.088999|1.986607|2.057032|2.257764|2.411460|2.304271|2.620284|0.073298|3.175528|3.059044|3.432424|2.250984|3.119751|2.719548|1.864232|2.676992|11.370584|1.521367|1.361397|1.310718|1.197422|1.137635|1.168417|1.273145|2.918827|3.466989|3.958901|6.712967|8.951644|6.947601|9.088410|17.694995|0.038629|0.037138|0.041290|0.042788|0.039866|0.045307|0.049749|0.050697|0.045994|0.051031|0.053789|0.062858|0.065235|0.066840|0.043940|0.042613|0.037976|0.032297|0.029717|0.031061|0.099374|0.084286|0.113799|0.216587|0.152966|0.173476|0.289228|0.500000| 1976.605706 -12234.885507 4723.046138 -237.259177 -5772.492840 3793.853176 -1978.639664 2.001029 408B000000000004 455B908787CCF9E4 44DA5490BEDAB935 41C6762480000004 37CA22391F5F0C00 43BB483D76C77A60