Version2.4 2021-05-29T01:36:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(oc1)Cn2c(=O)c3c4c(sc3nc2SCC(=O)N5CCCC[C@@H]5C(=O)[O-])CCCC4 C13410551 RHF 6-31G(d) (6D,7F) c1cc(oc1)Cn2c(=O)c3c4c(sc3nc2SCC(=O)N5CCCC[C@@H]5C(=O)[O-])CCCC4 C01[X(C23H24N3O5S2)] 165 C1 551 [O-]C(=O)[C@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 [O-]C(=O)[C@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 [O-]C(=O)[C@H]1CCCCN1C(=O)CSC2=Nc3sc4CCCCc4c3C(=O)N2Cc5occc5 InChIKey=XLBHJFLICUFGCQ-MRXNPFEDSA-M InChI=1S/C23H25N3O5S2/c27-18(25-10-4-3-8-16(25)22(29)30)13-32-23-24-20-19(15-7-1-2-9-17(15)33-20)21(28)26(23)12-14-6-5-11-31-14/h5-6,11,16H,1-4,7-10,12-13H2,(H,29,30)/p-1/t16-/m1/s1 InChI=1/C23H25N3O5S2/c27-18(25-10-4-3-8-16(25)22(29)30)13-32-23-24-20-19(15-7-1-2-9-17(15)33-20)21(28)26(23)12-14-6-5-11-31-14/h5-6,11,16H,1-4,7-10,12-13H2,(H,29,30)/p-1/t16-/m1/s1/fC23H24N3O5S2/q-1 c1cc(oc1)Cn2c(=O)c3c4c(sc3nc2SCC(=O)N5CCCC[C@@H]5C(=O)[O-])CCCC4 C01[X(C23H24N3O5S2)] 165 C01 551 [O-]C(=O)[C@H]1CCCCN1C(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 O=C(N1CCCC[C@@H]1[C]([O])=O)CS[C]1[N][C]2SC3=[C]([C]2C(=O)N1CC1=[CH][CH]=CO1)CCCC3 [O]C(=O)[C@H]1CCCCN1C(=O)CS[C]2[N][C]3SC4=C(CCCC4)[C]3C(=O)N2Cc5occc5 InChIKey=OBYYOVWMIFLIAG-MRXNPFEDSA-N InChI=1S/C23H24N3O5S2/c27-18(25-10-4-3-8-16(25)22(29)30)13-32-23-24-20-19(15-7-1-2-9-17(15)33-20)21(28)26(23)12-14-6-5-11-31-14/h5-6,11,16H,1-4,7-10,12-13H2/t16-/m1/s1 InChI=1/C23H24N3O5S2/c27-18(25-10-4-3-8-16(25)22(29)30)13-32-23-24-20-19(15-7-1-2-9-17(15)33-20)21(28)26(23)12-14-6-5-11-31-14/h5-6,11,16H,1-4,7-10,12-13H2/t16-/m1/s1 3791.8161229891 -2217.6832832 1-A 20029.6183 128 423 551 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 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1531.0364 1552.4235 1568.2224 1572.8907 1581.0984 1589.5101 1624.5773 1626.3194 1631.2968 1635.5775 1638.6269 1643.0054 1646.5972 1653.6724 1661.8536 1686.3919 1692.4573 1724.3047 1791.0179 1803.0779 1898.6848 1924.3304 1980.7373 3120.4951 3160.4544 3170.0677 3179.9649 3186.6101 3189.0835 3195.6356 3197.4318 3206.0808 3213.8816 3219.1421 3221.7518 3231.8767 3233.3581 3239.5813 3264.0490 3280.1808 3297.9546 3324.0093 3378.6030 3410.5986 3413.7872 3440.1147 3469.2985 6.5749 6.2475 5.8850 5.6294 7.4100 6.3298 6.0686 5.0221 4.4425 5.8902 4.5388 4.9702 6.6070 3.5632 6.4773 6.0139 4.8865 6.3747 4.9525 6.2353 6.4602 4.0226 4.1391 2.7982 4.0449 2.2798 3.8271 2.3650 6.1337 6.6748 6.2369 5.9099 4.8091 4.1189 4.3631 2.2532 3.3122 6.0699 4.3532 6.1265 1.9629 5.8844 3.3791 6.1404 2.7870 3.0982 5.3127 6.2392 3.8080 6.7915 5.3819 8.7853 5.9686 4.2382 3.6828 4.6828 1.4577 5.0374 4.0039 5.5919 3.1173 2.5671 1.6475 2.1941 2.6103 2.0326 6.3168 3.1568 1.4675 2.1337 1.6347 2.2863 2.2723 1.7583 2.7265 1.9915 3.5047 1.3311 3.4378 2.5438 2.1258 1.5619 3.2146 2.6430 2.3004 2.0233 3.0179 1.8702 2.9876 2.2088 2.7594 1.2155 2.2387 1.6568 1.9605 1.4732 1.3822 1.7414 4.1800 1.7552 2.7540 1.2644 1.5332 1.3875 1.2932 1.3793 2.3988 1.3073 1.5139 2.6214 1.5746 1.6590 1.5469 1.5835 1.4998 1.6974 1.5110 1.5344 1.5766 1.7588 2.9376 3.9629 2.5126 1.1593 1.1109 1.1032 1.0851 1.0844 1.1031 1.1249 1.1082 1.1085 1.0999 5.1845 9.2109 9.5110 8.5224 5.5542 12.5872 11.9755 12.3832 1.0818 1.0683 1.0637 1.0684 1.0714 1.0661 1.0682 1.0832 1.0751 1.0863 1.0937 1.0921 1.0951 1.0996 1.1039 1.0703 1.0931 1.0944 1.0625 1.1061 1.1028 1.0957 1.0921 1.1075 0.0003 0.0025 0.0025 0.0037 0.0059 0.0093 0.0101 0.0153 0.0160 0.0236 0.0300 0.0369 0.0608 0.0393 0.0910 0.0984 0.0855 0.1522 0.1326 0.2315 0.2422 0.1664 0.1815 0.1294 0.2077 0.1365 0.2498 0.1632 0.4457 0.5470 0.5368 0.5128 0.4478 0.4820 0.5542 0.2945 0.4794 0.9147 0.6699 1.0346 0.3547 1.1448 0.7311 1.4873 0.6925 0.8015 1.4367 1.7277 1.0917 2.0219 1.6639 3.0056 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12.3258 1.1731 8.4206 3.7356 9.6701 4.2304 7.7757 0.7516 7.0279 0.1345 3.6130 3.5798 14.2469 0.1471 1.3256 7.4223 10.1206 11.2027 2.3670 22.1216 5.8293 12.3145 6.5933 63.8667 6.7220 11.4009 24.0222 40.8464 11.0713 21.2338 41.8324 14.0602 3.3946 3.0316 8.1795 5.8235 2.8057 4.6805 23.2250 0.6296 11.3888 2.3165 9.5348 2.4024 3.6861 53.3222 4.0498 11.5418 17.7622 13.7004 25.4392 29.8659 2.8531 20.9289 33.3200 7.6156 4.8769 32.9340 1.3047 40.1591 4.0216 66.3499 11.4441 148.2186 29.8447 75.8130 61.8983 3.1067 88.8090 3.6491 22.7114 86.4535 7.4596 10.1539 6.9857 27.5251 11.7852 69.2172 14.9435 32.0996 43.9914 75.0862 18.9699 35.0009 54.7887 5.0988 56.6107 5.2861 8.2581 6.9986 189.9725 64.5291 241.6601 76.9278 49.2288 8.3187 0.8504 3.3298 3.1012 0.7824 48.4068 1.6535 2.7208 1.3247 14.6531 542.3718 776.7417 19.6747 0.3652 847.9400 562.2918 222.4569 39.6795 39.9948 48.0641 44.5661 55.1193 38.9666 31.2395 74.3057 13.4967 60.2799 82.4450 59.2101 114.7822 115.9272 92.5124 19.4285 18.5012 28.3573 12.9697 1.9914 89.8692 2.7633 1.3702 15.7149 1.3204 3.0072 2.5845 0.7104 0.2487 0.5581 0.6931 0.6951 0.8148 3.1105 0.7593 0.1124 0.2148 0.6069 0.8213 0.8466 0.1841 0.2955 0.2901 1.7749 0.9785 0.1869 0.9082 0.1136 0.7493 0.3862 2.1145 0.3351 4.1319 1.8538 3.6198 2.1669 0.8688 2.0271 2.2224 1.6233 1.2907 1.1294 2.5049 2.1435 0.1016 2.2523 2.7151 2.3916 3.9959 2.3568 2.5436 17.0765 2.8602 2.9348 3.3142 0.7850 5.0345 3.4671 1.8576 2.7452 2.3049 6.9781 5.6217 4.2223 23.2111 6.6672 1.6086 2.0389 0.9259 6.5454 7.1000 2.9027 0.6961 1.2382 0.6874 1.3852 8.6521 2.0099 4.3398 6.0463 4.6728 2.5892 13.3590 11.2383 5.9669 10.5818 25.5670 1.7237 21.7222 3.6475 14.1533 5.6740 1.2593 4.7857 10.7285 4.7737 4.0779 2.7910 4.4087 8.3779 8.0800 8.2871 14.6204 10.3804 13.7977 3.5391 10.8362 2.1398 20.5914 20.0140 7.4222 3.4505 7.4485 33.6712 0.7025 1.0835 2.9372 2.2806 16.7380 14.3523 1.0946 0.8415 4.2654 4.2163 9.3137 11.0395 9.2663 13.6822 23.3819 14.1701 18.6747 19.0017 20.8423 32.1504 5.0439 15.1105 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14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 15.99491 12.00000 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 1.00783 1.00783 1.00783 10193.6195 27841.7899 33553.7538 0.99997 -0.00794 -0.00221 0.00793 0.99995 -0.00558 0.00225 0.00556 0.99998 1 0.00850 0.00311 0.00258 0.17705 0.06482 0.05379 12.14 37.62 38.35 47.79 53.05 71.69 76.56 103.62 112.57 118.57 152.42 161.50 179.74 196.84 222.12 239.82 248.01 289.65 306.67 361.21 362.93 381.20 392.56 403.14 424.70 458.71 478.89 492.37 505.29 536.59 549.89 552.12 571.99 641.24 668.06 677.63 713.12 727.65 735.29 770.27 796.85 826.77 871.86 922.51 934.33 953.37 974.75 986.38 1003.62 1022.74 1042.25 1096.38 1109.94 1169.50 1196.59 1199.32 1242.35 1249.67 1255.21 1277.91 1287.57 1307.52 1311.17 1325.38 1347.29 1365.23 1398.81 1413.88 1424.92 1439.89 1441.96 1445.61 1481.78 1491.65 1497.75 1505.27 1514.40 1567.87 1598.02 1608.37 1636.37 1650.94 1652.39 1653.58 1680.56 1690.72 1741.95 1747.15 1766.73 1802.67 1804.70 1817.02 1828.06 1834.17 1858.26 1863.76 1896.08 1899.87 1919.86 1963.63 1968.69 1993.68 2009.90 2011.71 2027.01 2030.61 2059.86 2070.84 2101.35 2137.81 2157.04 2160.05 2167.67 2169.37 2178.99 2190.52 2193.09 2198.97 2202.82 2233.59 2256.32 2263.04 2274.85 2286.95 2337.40 2339.91 2347.07 2353.23 2357.62 2363.92 2369.09 2379.27 2391.04 2426.34 2435.07 2480.89 2576.88 2594.23 2731.78 2768.68 2849.84 4489.70 4547.19 4561.02 4575.26 4584.82 4588.38 4597.81 4600.39 4612.84 4624.06 4631.63 4635.38 4649.95 4652.08 4661.03 4696.24 4719.45 4745.02 4782.51 4861.06 4907.09 4911.68 4949.56 4991.55 0.484065 0.511603 0.512547 0.421683 -2217.199218 -2217.171680 -2217.170736 -2217.261600 3.047593D-04 MUNgauss RevisionA2.1 retrievium 29-May-2021 DUDE c1cc(oc1)Cn2c(=O)c3c4c(sc3nc2SCC(=O)N5CCCC[C@@H]5C(=O)[O-])CCCC4 C13410551 RHF 6-31G(d) (6D,10F) C1 486.115740 |X|Y|Z| 66.659856 119.159454 37.242404 66.631081 28 6 7 8 16 22 3 1 2 |36.858105| |13.233639|36.858105| |8.591898|14.174166|36.858105| |8.634497|8.591174|14.049700|73.516695| |14.228880|8.579230|8.778325|25.251647|36.858105| |5.134264|7.265412|12.703036|14.040728|5.351498|36.858105| |4.245703|5.709400|7.639407|9.961392|4.277376|12.871489|53.358707| |3.738149|4.507754|5.849072|9.146725|3.979566|7.797458|18.451327|36.858105| |3.695063|4.207752|5.657031|10.027266|4.197138|7.098524|11.424293|15.833224|73.516695| |3.146244|3.676986|4.284686|6.833374|3.235519|5.106214|10.870259|13.197243|14.375243|36.858105| |2.681457|2.974682|3.367722|5.701224|2.797117|3.783385|6.846732|7.302057|11.084685|13.148594|36.858105| |2.390365|2.638762|2.870233|4.803448|2.431944|3.155389|5.562572|5.136096|7.799978|8.239406|14.188707|36.858105| |2.451839|2.790416|2.947125|4.714758|2.407205|3.259433|5.926667|4.842314|6.880875|7.422797|7.368288|10.855657|388.023441| |3.012243|3.602573|3.954196|6.037585|2.959632|4.627336|9.805088|7.934398|9.589128|14.009974|8.117000|7.664358|78.126026|36.858105| |3.221378|4.057276|4.325578|6.209470|3.053133|5.163598|11.054779|6.708392|8.381066|7.877325|5.219451|4.994746|50.054156|14.102224|53.358707| |3.802459|5.146542|5.767630|7.619183|3.591833|7.640935|18.905290|7.837286|9.624269|7.000555|4.590105|4.085092|35.052202|8.516867|20.163361|36.858105| |3.742332|5.212317|5.264228|6.836392|3.366437|6.381958|9.665024|4.740270|6.848681|4.248750|3.222233|2.995293|25.360597|4.906467|9.822915|10.795786|388.023441| |3.264297|4.213912|3.901375|5.455704|2.860086|4.167944|6.485538|3.706666|5.450921|3.678268|2.942750|2.893787|25.993205|4.545421|9.013391|6.927494|74.577886|36.858105| |3.056038|3.807800|3.401619|4.886553|2.637571|3.485159|4.974643|2.947233|4.539868|2.868560|2.392779|2.354731|20.228923|3.342700|5.918301|4.652938|50.036217|12.586905|36.858105| |2.912527|3.602661|3.284404|4.751471|2.547353|3.420647|4.677339|2.767124|4.343054|2.633911|2.211908|2.153380|18.019822|2.980484|5.138439|4.184648|46.884259|8.036530|15.976489|73.516695| |2.775493|3.284276|2.892145|4.307032|2.388183|2.868974|4.112716|2.553779|3.989048|2.547394|2.189639|2.196038|18.853797|2.958605|4.977560|3.699978|33.839844|7.745161|13.352931|14.660497|53.358707| |2.297892|2.650122|2.410494|3.677091|2.029620|2.439759|3.495652|2.223057|3.512948|2.241299|1.966593|1.995070|17.046631|2.586705|4.232636|3.081990|27.247756|5.545964|8.046281|11.999302|17.741481|36.858105| |2.079816|2.328085|2.116811|3.300893|1.846410|2.111317|3.034188|1.983977|3.165342|2.028583|1.819832|1.869857|15.858797|2.323692|3.667344|2.612680|21.596002|4.152145|5.141125|7.873228|10.603793|12.490376|36.858105| |2.130589|2.336377|2.082990|3.279398|1.869460|2.025083|2.852818|1.873278|3.024138|1.892435|1.706399|1.737437|14.401855|2.124751|3.301555|2.397732|19.664802|3.597056|4.463484|7.015189|8.969174|7.582073|12.459189|36.858105| |2.528043|2.778218|2.401035|3.744125|2.162700|2.277344|3.189627|2.073274|3.335769|2.075858|1.851571|1.867523|15.448179|2.325868|3.641692|2.681337|22.065716|4.086728|5.086726|7.615590|10.627571|6.588691|7.577688|12.455500|36.858105| |2.918519|3.342818|2.836904|4.292779|2.453499|2.694741|3.728208|2.345158|3.740236|2.302254|2.004720|1.991631|16.548237|2.588124|4.191321|3.189727|28.140676|5.384598|7.808411|11.133186|17.577748|7.847792|6.534139|7.538128|12.484066|36.858105| |2.758366|3.128536|2.683608|4.094851|2.339522|2.562269|3.464454|2.180526|3.520120|2.114925|1.850220|1.826885|14.951502|2.341400|3.757007|2.906711|26.126863|4.613773|6.863243|11.514781|12.316471|7.220296|5.845944|6.889517|8.898758|17.410135|0.500000| |3.760934|4.339045|3.440402|5.128031|3.003920|3.100467|4.192395|2.605913|4.167529|2.503425|2.155045|2.103167|17.180467|2.764509|4.456279|3.507889|30.428059|5.344427|6.643073|9.727700|10.341217|5.002623|4.356893|4.869013|7.463490|12.304360|0.248575|36.858105| |3.722055|3.988167|3.149198|4.874646|2.953128|2.768754|3.688153|2.356441|3.843961|2.261768|1.985285|1.936025|15.465567|2.444363|3.803064|2.971085|24.443044|4.009394|4.668517|7.336677|7.215367|3.993115|3.747563|4.445853|6.758838|8.088897|0.193327|15.589821|73.516695| |4.474235|5.682654|4.335112|6.112793|3.498196|3.875772|5.230242|3.114735|4.889682|2.932957|2.449352|2.354270|19.357496|3.256508|5.438880|4.477944|40.817312|6.969978|7.888344|11.125047|9.753986|4.663148|3.861009|3.962165|5.338497|8.092664|0.182199|15.329701|15.196569|73.516695| |2.057434|2.212481|2.370118|4.060564|2.100620|2.544789|4.221553|3.731981|6.078974|5.056540|7.520019|12.662863|47.498287|4.807508|4.926723|3.091097|17.268442|2.391531|2.013013|3.300101|2.605287|1.768646|1.686914|1.576337|1.676554|1.756624|0.045035|1.837567|3.050151|3.580181|36.858105| |2.032490|2.137627|2.310754|4.081673|2.118606|2.443601|3.920782|3.542194|6.130145|4.450666|6.682897|7.659847|32.704757|3.906137|4.165820|2.752226|15.623233|2.120458|1.818061|3.011720|2.352910|1.594308|1.523078|1.443049|1.541299|1.614127|0.041676|1.707002|2.868255|3.315252|12.426827|36.858105| |2.117964|2.234641|2.484904|4.449000|2.255198|2.684374|4.283307|4.048860|7.362976|4.895855|7.595351|6.762583|29.711322|3.953383|4.224506|2.883744|16.201100|2.121694|1.819627|3.049629|2.317647|1.567036|1.478847|1.402650|1.500416|1.591524|0.041399|1.692488|2.837318|3.317727|7.544676|12.450366|36.858105| |2.530784|2.708552|3.102304|5.550283|2.729811|3.406067|5.619242|5.887505|10.937843|7.238764|12.623836|7.613902|33.495536|5.029959|5.163528|3.593946|19.230619|2.443444|2.058998|3.441182|2.582476|1.718558|1.601547|1.520526|1.645452|1.770730|0.045915|1.910803|3.181310|3.813462|6.285846|7.517807|12.433357|36.858105| |17.799770|8.473894|5.855895|10.449428|8.808574|4.029309|4.775224|3.147960|5.498595|2.759480|2.406799|2.191108|16.082496|2.692382|3.913554|3.281332|23.521933|3.043922|2.936413|4.954353|3.743587|2.278628|2.092668|2.186876|2.628876|2.988225|0.078525|3.932091|7.288263|7.920542|1.916273|1.892353|1.944586|2.276405|0.500000| |8.487908|17.740168|8.732554|10.384104|5.851041|6.202677|7.308744|4.117589|6.572024|3.524790|2.843600|2.588523|20.183752|3.637569|5.860565|5.438241|43.835001|5.183988|4.759655|7.808974|5.459849|3.102159|2.671035|2.683304|3.267092|4.110150|0.105129|5.647593|8.706547|14.769537|2.170689|2.060147|2.122624|2.533254|0.195504|0.500000| |8.612075|5.804754|6.032206|16.527905|17.822439|4.288679|4.866114|3.481827|6.723942|2.903089|2.597394|2.267257|15.656361|2.632385|3.619326|3.038748|20.193787|2.468824|2.300232|3.968218|2.879823|1.827712|1.682929|1.710257|1.958950|2.181158|0.058113|2.618736|4.654330|5.257467|1.995916|2.047132|2.185025|2.607771|0.194507|0.123078|0.500000| |4.490149|5.584108|9.044575|13.904636|5.077817|17.712589|12.584754|7.672784|15.009438|4.876392|3.778326|3.079500|21.630457|4.161975|5.905335|5.777044|34.361523|3.413179|2.931112|5.177027|3.367310|2.154897|1.891053|1.817826|2.018200|2.340579|0.062398|2.647322|4.291163|5.669093|2.518521|2.471241|2.791677|3.572709|0.099737|0.131268|0.119036|0.500000| |4.562217|6.456256|8.917459|10.655088|4.522993|17.702340|12.412099|5.810175|9.354083|4.280369|3.272924|2.829731|21.370892|4.128763|6.609206|7.196590|53.948327|4.470422|3.835056|6.955422|4.147630|2.601971|2.205898|2.103460|2.348984|2.835171|0.076082|3.212328|5.019803|7.175473|2.320049|2.204849|2.396955|2.940594|0.103352|0.168689|0.103072|0.303237|0.500000| |3.535135|4.534422|4.054774|5.695670|3.041191|4.116172|6.529733|3.832903|5.602333|3.881670|3.110476|3.077646|27.915883|4.853732|9.368773|6.796664|56.524467|17.764700|8.925416|10.656084|9.958393|5.020677|4.073076|3.653132|4.352540|5.537282|0.124704|5.927566|7.882989|14.093010|2.529572|2.239730|2.211691|2.559115|0.092325|0.156920|0.072604|0.093531|0.116365|0.500000| |2.794510|3.472082|3.337698|4.827390|2.517767|3.667280|5.885934|3.520443|5.168922|3.646022|2.965952|2.994283|27.959716|4.671625|9.233976|6.244468|56.146267|17.590514|8.950860|11.749134|9.081468|5.544832|4.209685|3.461026|3.717830|4.561103|0.110941|4.262181|5.984390|9.002527|2.481238|2.158401|2.143990|2.434180|0.072716|0.112501|0.061451|0.086334|0.108254|0.299998|0.500000| |2.199209|2.554865|2.378711|3.624383|1.971352|2.468500|3.604688|2.296121|3.600116|2.341727|2.051254|2.096515|18.209291|2.743272|4.532707|3.233155|28.400653|5.851711|7.564889|11.538669|12.445757|17.534626|8.859056|5.516102|4.913645|5.668350|0.146157|4.156998|6.002582|7.334895|1.852501|1.652666|1.624688|1.777382|0.059783|0.081948|0.049371|0.060774|0.073331|0.140082|0.180440|0.500000| |2.218758|2.542304|2.318050|3.555332|1.965556|2.345248|3.282884|2.085508|3.334933|2.071242|1.823078|1.832245|15.339533|2.344844|3.795109|2.831449|25.483953|4.723673|7.023046|12.503871|12.242782|17.463801|8.826297|6.794846|5.778386|7.074554|0.217236|4.652894|6.788078|7.644798|1.632747|1.486175|1.472255|1.612714|0.061253|0.082156|0.049329|0.057920|0.070369|0.116780|0.128242|0.302434|0.500000| |2.083562|2.330208|2.128506|3.324797|1.856358|2.126624|3.113774|2.055651|3.257550|2.137902|1.926645|2.004871|17.282262|2.482365|3.897092|2.703583|21.601644|4.248525|4.830549|7.120669|9.591469|8.911855|17.523226|8.846126|6.774448|5.708392|0.133877|4.146744|6.373300|6.701033|1.809976|1.618920|1.556384|1.680678|0.058077|0.073846|0.047033|0.052920|0.060960|0.119989|0.122870|0.217023|0.173905|0.500000| |1.869391|2.075598|1.914137|3.014142|1.680394|1.925910|2.759401|1.821618|2.926506|1.865363|1.689897|1.741425|14.645645|2.120765|3.301952|2.348815|19.217250|3.523776|4.232510|6.869950|7.661341|8.863781|17.497987|8.779561|5.498588|4.896511|0.130891|3.531423|5.565221|5.693975|1.586337|1.434397|1.393790|1.497143|0.052130|0.065131|0.042849|0.048431|0.056018|0.094345|0.101634|0.213127|0.214944|0.301756|0.500000| |1.967581|2.123339|1.906221|3.040574|1.740887|1.849110|2.613454|1.742387|2.828242|1.773648|1.620012|1.660444|13.672933|1.981219|3.021989|2.172104|17.298713|3.084219|3.615857|5.747268|6.720939|5.507823|8.806020|17.504117|8.785198|5.485545|0.140215|4.041832|6.891990|5.979151|1.523050|1.396907|1.349055|1.450700|0.056365|0.066649|0.044618|0.046514|0.052854|0.088331|0.083665|0.123532|0.138978|0.215004|0.208930|0.500000| |2.050609|2.238393|2.001501|3.163921|1.805023|1.947577|2.702526|1.771223|2.881921|1.770312|1.597488|1.614875|13.219671|1.964987|3.044782|2.245097|18.669860|3.282819|4.167570|6.945704|7.747142|6.783670|8.867738|17.481150|8.851821|6.746638|0.202013|4.497084|7.458680|6.543092|1.468809|1.353635|1.324943|1.435389|0.058545|0.071065|0.046008|0.048794|0.056684|0.090330|0.087313|0.139419|0.198874|0.173871|0.215802|0.302914|0.500000| |2.575174|2.821153|2.441473|3.815633|2.205940|2.309368|3.294916|2.162779|3.457865|2.197555|1.967224|2.002101|16.725247|2.485675|3.865296|2.785641|22.108580|4.175559|4.784134|6.918295|9.614571|5.747625|6.774716|8.842374|17.520003|8.915681|0.174496|6.871082|11.172413|9.329607|1.796605|1.642475|1.583429|1.735291|0.074319|0.091586|0.055520|0.056804|0.065159|0.130103|0.106516|0.128292|0.132860|0.197810|0.138546|0.214490|0.173674|0.500000| |2.517172|2.695573|2.310576|3.654130|2.144277|2.156296|2.970479|1.946129|3.169914|1.931719|1.735894|1.740095|14.118716|2.126486|3.275035|2.439351|19.824045|3.462857|4.190026|6.592562|7.698225|4.934826|5.502675|8.772680|17.615642|8.950031|0.216345|6.972463|13.436299|8.627199|1.573167|1.462019|1.426359|1.561410|0.074143|0.086998|0.054334|0.053469|0.061533|0.102445|0.087152|0.108205|0.129652|0.138694|0.122986|0.207952|0.214935|0.303026|0.500000| |1.887882|2.037522|2.184925|3.730628|1.925256|2.376765|3.903350|3.376094|5.533026|4.420978|6.053151|8.911004|42.160696|4.312477|4.580128|2.885193|16.450092|2.276325|1.930478|3.189806|2.494470|1.715629|1.635403|1.518092|1.597014|1.672500|0.043133|1.728950|2.863905|3.354018|17.494483|8.812945|6.576241|5.280768|0.048936|0.055828|0.050875|0.065686|0.061110|0.065778|0.066456|0.050286|0.044146|0.048630|0.043049|0.040763|0.039432|0.047254|0.041561|0.500000| |1.999709|2.137016|2.243774|3.832323|2.016394|2.363509|3.874075|3.302929|5.354269|4.339232|5.752409|8.895932|45.341574|4.376985|4.659856|2.900676|16.554530|2.359680|1.998352|3.249803|2.627322|1.787125|1.725708|1.614471|1.715413|1.775544|0.045275|1.849681|3.082070|3.568690|17.531660|8.810764|5.510096|4.852981|0.052311|0.058769|0.053265|0.064160|0.060288|0.070124|0.068148|0.051859|0.045571|0.051868|0.045043|0.043606|0.041552|0.051489|0.044681|0.303742|0.500000| |1.825886|1.905941|2.043455|3.623946|1.899251|2.150615|3.378911|2.962177|5.180747|3.574431|4.892018|5.571267|27.189732|3.242775|3.592099|2.392934|13.961719|1.909968|1.660625|2.764772|2.164167|1.480807|1.424258|1.351227|1.432747|1.489717|0.038630|1.563922|2.640993|3.008162|8.832234|17.529708|8.797063|5.478577|0.047615|0.051231|0.051354|0.060559|0.054593|0.055699|0.054209|0.042635|0.038472|0.042007|0.037481|0.036505|0.035294|0.042312|0.037857|0.219614|0.206830|0.500000| |2.141396|2.222526|2.381130|4.247005|2.233748|2.458071|3.906904|3.511666|6.114358|4.320618|6.171919|6.697504|30.878163|3.793023|4.095507|2.729949|15.545607|2.124049|1.827036|3.011821|2.379943|1.600368|1.535910|1.467311|1.579724|1.647912|0.042395|1.759328|2.976058|3.410129|8.854283|17.519273|8.860106|6.923343|0.055611|0.059207|0.060247|0.068631|0.061117|0.063135|0.059372|0.045722|0.041383|0.045405|0.039999|0.039538|0.038149|0.046985|0.041793|0.174147|0.220069|0.302791|0.500000| |1.976063|2.104587|2.343742|4.150780|2.093031|2.582602|4.116958|3.809869|6.856329|4.568559|6.617292|6.208808|28.861864|3.801706|4.119089|2.804165|15.918957|2.077197|1.785294|3.011080|2.264892|1.545246|1.454089|1.370331|1.453950|1.544784|0.040357|1.626516|2.715207|3.183931|6.953796|8.872054|17.503024|8.844039|0.050435|0.055951|0.056138|0.074909|0.065058|0.059343|0.058934|0.044798|0.040429|0.042426|0.038265|0.036574|0.036052|0.042426|0.038293|0.196691|0.140218|0.211048|0.173905|0.500000| |2.032669|2.107550|2.339586|4.279351|2.188986|2.486992|3.836890|3.550076|6.714318|4.013841|5.546715|4.937376|24.162313|3.296109|3.663791|2.559149|14.737363|1.926777|1.677083|2.827673|2.144667|1.453250|1.376503|1.315242|1.406851|1.487549|0.038878|1.586307|2.681603|3.090922|5.492844|8.813836|17.532279|8.836409|0.052060|0.055214|0.059822|0.072661|0.061815|0.055719|0.053693|0.041624|0.038132|0.040067|0.036117|0.035226|0.034643|0.041110|0.037387|0.138029|0.123291|0.214693|0.210773|0.303165|0.500000| |2.732982|2.857325|3.264280|6.022392|2.995706|3.434916|5.486312|5.651977|11.044412|6.341340|8.951531|6.108367|29.661444|4.545351|4.845458|3.453228|18.741393|2.390097|2.031669|3.387851|2.563706|1.692758|1.584019|1.519732|1.658968|1.781271|0.046123|1.947809|3.272883|3.882813|5.260442|6.529253|8.798863|17.523161|0.068200|0.073057|0.080409|0.100010|0.081079|0.070424|0.065095|0.048163|0.044173|0.046113|0.040978|0.040339|0.039847|0.048701|0.044006|0.120661|0.122138|0.137264|0.194525|0.173978|0.219466|0.500000| |2.530447|2.722286|3.200473|5.781192|2.773035|3.625732|5.846285|6.238757|12.791150|6.700085|8.925453|5.808934|29.106990|4.632740|4.974296|3.599708|19.451513|2.399099|2.034987|3.445210|2.523529|1.684377|1.557327|1.478303|1.595530|1.730877|0.045245|1.866661|3.102672|3.739333|4.861683|5.499383|8.796278|17.600456|0.062635|0.070119|0.073691|0.109870|0.086779|0.068651|0.066189|0.048443|0.044237|0.045041|0.040557|0.039031|0.039008|0.046329|0.042124|0.122806|0.108283|0.123055|0.139826|0.219432|0.206217|0.305972|0.500000| 2215.628402 -12835.238599 4849.989271 -239.878821 -6009.499747 3791.816396 -2217.683351 2.000927 40D248000000000C 45106E01E685CA62 44907E8066ECB719 426C35D4352C0007 40A25FFFFFFFFFFF 44A161B56A8529B6