Version2.0 2020-07-19T10:09:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 17-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@@H](c2ccccc2O)N(C(=O)c3ccc(cc3)F)C(C)(C)C C36593207 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@@H](c2ccccc2O)N(C(=O)c3ccc(cc3)F)C(C)(C)C C01[X(C27H29F1N2O5S1)] 189 C1 602 Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@H](N(C(C)(C)C)C(=O)c1ccc(cc1)F)c1ccccc1O Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@H](N(C(C)(C)C)C(=O)c1ccc(cc1)F)c1ccccc1O Cc1ccc(cc1)[S](=O)(=O)CNC(=O)[C@H](N(C(=O)c2ccc(F)cc2)C(C)(C)C)c3ccccc3O InChIKey=SIANTAVLXLXLDE-XMMPIXPASA-N InChI=1S/C27H29FN2O5S/c1-18-9-15-21(16-10-18)36(34,35)17-29-25(32)24(22-7-5-6-8-23(22)31)30(27(2,3)4)26(33)19-11-13-20(28)14-12-19/h5-16,24,31H,17H2,1-4H3,(H,29,32)/t24-/m1/s1 InChI=1/C27H29FN2O5S/c1-18-9-15-21(16-10-18)36(34,35)17-29-25(32)24(22-7-5-6-8-23(22)31)30(27(2,3)4)26(33)19-11-13-20(28)14-12-19/h5-16,24,31H,17H2,1-4H3,(H,29,32)/t24-/m1/s1/f/h29H Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@@H](c2ccccc2O)N(C(=O)c3ccc(cc3)F)C(C)(C)C C01[X(C27H29F1N2O5S1)] 189 C01 602 Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@H](N(C(C)(C)C)C(=O)c1ccc(cc1)F)c1ccccc1O C[C]1[CH][CH][C]([CH][CH]1)[S@]([O])(=O)CNC(=O)[C@H](N(C(C)(C)C)C(=O)[C]1[CH][CH][C]([CH][CH]1)F)[C]1[CH][CH][CH][CH][C]1O C[C]1[CH][CH][C]([CH][CH]1)[S]([O])(=O)CNC(=O)[C@@H]([C]2[CH][CH][CH][CH][C]2O)N(C(=O)[C]3[CH][CH][C](F)[CH][CH]3)C(C)(C)C InChIKey=SIANTAVLXLXLDE-XMMPIXPASA-N InChI=1S/C27H29FN2O5S/c1-18-9-15-21(16-10-18)36(34,35)17-29-25(32)24(22-7-5-6-8-23(22)31)30(27(2,3)4)26(33)19-11-13-20(28)14-12-19/h5-16,24,31H,17H2,1-4H3,(H,29,32)/t24-/m1/s1 InChI=1/C27H29FN2O5S/c1-18-9-15-21(16-10-18)36(34,35)17-29-25(32)24(22-7-5-6-8-23(22)31)30(27(2,3)4)26(33)19-11-13-20(28)14-12-19/h5-16,24,31H,17H2,1-4H3,(H,29,32)/t24-/m1/s1/f/h29H 4435.7367339202 -2019.4177787 1-A 15941.1079 135 467 602 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 13.4001 17.2087 23.8016 28.7724 31.0306 43.9138 50.1548 54.9665 57.3455 67.1718 74.0973 83.0510 92.3858 110.1870 128.4462 139.6044 170.9831 175.9204 178.4562 184.4385 193.8272 206.7929 225.3712 246.6941 255.1851 258.8147 276.7951 291.6235 297.0641 305.7968 321.8055 329.2426 335.4885 341.8248 352.7656 360.8244 375.9434 382.0760 417.9385 444.6091 449.2741 456.0120 460.7690 468.4739 491.7274 497.0132 505.3469 517.7061 534.0466 535.8995 548.0629 569.6148 574.9908 589.4477 604.5177 615.0710 624.1072 660.0236 675.4807 684.2773 690.6210 695.4356 696.5825 778.2907 784.4348 808.7227 811.6109 836.6145 845.9588 851.9704 860.4746 888.0103 891.4661 900.7080 907.4826 928.0666 932.3758 938.3045 957.5103 959.8853 965.3926 981.0462 1006.3776 1015.5450 1031.8984 1059.9956 1076.4534 1089.8653 1097.4029 1101.1829 1107.6140 1110.0515 1113.5329 1115.8568 1117.9810 1125.7158 1146.5264 1150.0099 1160.2938 1172.2468 1185.5052 1188.7747 1191.1741 1198.0274 1201.9338 1209.5110 1218.7441 1251.5659 1272.6637 1284.6115 1288.4680 1295.7511 1309.1117 1310.7804 1318.3239 1326.1606 1357.4418 1363.8907 1366.5580 1373.7377 1378.9110 1384.4156 1387.3367 1395.2119 1425.4808 1441.0471 1444.3683 1456.4875 1459.2081 1494.2361 1496.8339 1551.0928 1558.2849 1559.9555 1561.3697 1566.5468 1567.9502 1590.8888 1593.9658 1625.0218 1627.9608 1633.1832 1635.7523 1635.9073 1647.9612 1651.0937 1664.5318 1676.1693 1676.4314 1679.8620 1694.3006 1714.6603 1765.5877 1783.6847 1792.4007 1806.3673 1816.0862 1817.6819 1946.6784 1971.8192 3208.4324 3208.7659 3212.4162 3227.7631 3258.5026 3264.8810 3266.9665 3267.4785 3287.3472 3288.5814 3295.8919 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0.3606 3.2760 0.9060 1.7340 2.2300 9.8610 1.1638 18.6786 2.4017 29.3774 42.0419 38.9318 4.0484 15.4987 7.2281 4.2708 9.4470 0.9358 6.7420 1.7934 2.5827 0.0508 4.7682 41.7208 19.7138 9.0070 22.8965 1.8101 7.2331 64.7245 51.3189 26.7761 2.6904 11.8277 69.6535 48.5935 19.5454 10.7283 1.0570 0.3594 9.6918 16.2024 10.5119 7.4416 0.4748 16.2847 15.7846 79.3802 10.7920 4.0108 39.9638 34.3935 17.4806 11.0211 16.5688 15.2916 61.8757 13.8339 0.2281 56.4356 0.6856 1.1816 24.7572 0.3738 2.8358 2.0457 2.4608 3.0567 8.0846 35.9524 1.4514 17.6635 0.4409 2.2346 13.6739 2.7373 2.0359 15.7542 0.7008 13.4788 54.3448 92.8996 1.8000 41.8440 19.5804 172.6593 39.5341 32.2298 6.3667 47.8395 53.3352 0.5517 8.4130 1.4077 108.2555 41.3508 102.7969 31.1080 146.7712 198.9415 9.7141 51.1536 172.6041 163.4098 54.7238 110.1177 2.2238 45.1493 21.9801 21.2409 10.1844 13.8644 10.2688 0.5370 69.5432 39.1540 15.2734 22.7971 22.7234 12.0052 6.1188 0.6940 2.4153 2.4051 5.1864 6.4067 19.5479 21.8765 58.1425 373.3776 6.7365 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1593.61 1597.12 1602.13 1605.47 1608.53 1619.65 1649.60 1654.61 1669.40 1686.60 1705.68 1710.38 1713.83 1723.69 1729.31 1740.22 1753.50 1800.72 1831.08 1848.27 1853.82 1864.30 1883.52 1885.92 1896.77 1908.05 1953.06 1962.33 1966.17 1976.50 1983.95 1991.87 1996.07 2007.40 2050.95 2073.35 2078.12 2095.56 2099.47 2149.87 2153.61 2231.68 2242.02 2244.43 2246.46 2253.91 2255.93 2288.93 2293.36 2338.04 2342.27 2349.79 2353.48 2353.71 2371.05 2375.56 2394.89 2411.63 2412.01 2416.95 2437.72 2467.01 2540.29 2566.32 2578.86 2598.96 2612.94 2615.24 2800.84 2837.01 4616.22 4616.70 4621.95 4644.03 4688.26 4697.44 4700.44 4701.17 4729.76 4731.54 4742.05 4763.09 4804.55 4814.03 4819.69 4839.31 4846.13 4847.12 4849.51 4850.93 4877.07 4889.44 4902.45 4912.35 4913.74 4945.40 4992.53 5611.09 5919.04 0.559810 0.592405 0.593349 0.492369 -2018.857969 -2018.825374 -2018.824429 -2018.925410 3.386919D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@@H](c2ccccc2O)N(C(=O)c3ccc(cc3)F)C(C)(C)C C36593207 RHF 6-31G(d) (6D,10F) C1 512.178122 |X|Y|Z| 92.986917 65.016731 55.382414 69.439452 25 6 7 16 22 2 1 |36.858105| |12.616745|36.858105| |7.551704|13.694521|36.858105| |5.014682|7.891697|13.772804|36.858105| |4.442427|6.856143|7.966672|13.734871|36.858105| |5.017251|7.888730|6.869252|7.899767|13.722253|36.858105| |7.559997|13.686276|7.955498|6.873183|7.968926|13.781123|36.858105| |3.145647|4.190218|4.740800|6.973534|10.776121|6.958319|4.737481|388.023441| |2.864758|3.674612|3.838496|4.969994|7.315379|6.413639|4.394237|94.371471|73.516695| |2.865117|3.675852|4.411202|6.462010|7.305898|4.943317|3.828503|94.195260|13.567870|73.516695| |2.822484|3.595882|3.980455|5.288333|6.733694|5.279019|3.978205|75.259134|12.838213|13.152710|36.858105| |2.893531|3.637939|3.763541|4.595428|5.932167|5.502707|4.214098|49.710883|10.780425|8.798350|13.344305|53.358707| |2.467900|2.967521|2.991438|3.482993|4.298448|4.246318|3.432177|36.312313|9.071292|6.980250|7.830864|19.097511|36.858105| |2.193064|2.602225|2.654234|3.104226|3.767402|3.637985|2.963691|34.139806|9.004911|6.873057|6.887693|11.570645|15.912205|73.516695| |2.377010|2.760940|2.697245|2.977606|3.514007|3.668099|3.175475|26.678204|6.696548|5.404123|5.017167|10.483050|12.356509|14.227330|36.858105| |2.207988|2.533991|2.524828|2.783594|3.174379|3.198765|2.820989|24.357349|5.926111|5.133530|4.724095|9.002201|9.517632|12.890356|17.658532|0.500000| |2.728397|3.144766|2.979028|3.169036|3.672669|4.003957|3.635476|25.305748|6.154276|5.137777|4.483251|9.117840|7.319965|9.150107|12.454541|0.253593|36.858105| |2.916638|3.298165|2.974947|3.060461|3.564372|4.170665|3.953143|23.399512|5.886197|4.747155|3.764431|7.051098|5.387008|7.380907|7.400094|0.157687|13.737042|36.858105| |3.214715|3.482325|3.040721|2.983561|3.330382|3.937884|4.063174|20.781086|5.114590|4.334536|3.215558|5.595121|4.004640|5.767127|4.948581|0.117998|7.856498|13.746283|36.858105| |3.294222|3.496498|3.122118|3.008220|3.209890|3.617149|3.815850|19.820215|4.697835|4.238382|3.128499|5.290340|3.659028|5.306888|4.397970|0.112684|6.795940|7.962633|13.780647|36.858105| |3.040867|3.325348|3.135104|3.115997|3.290326|3.509387|3.535312|20.924382|4.824057|4.507077|3.503486|6.010357|4.112359|5.848413|4.998603|0.135813|7.849370|6.913797|7.959208|13.769856|36.858105| |2.785530|3.164341|3.062269|3.202542|3.515116|3.673103|3.464179|23.599388|5.456685|4.974494|4.246245|7.929598|5.651720|7.548975|7.557105|0.209415|13.629175|8.011474|6.896200|7.947575|13.748908|36.858105| |2.500401|2.844930|2.874999|3.083823|3.310731|3.266408|3.021526|23.378229|5.278607|5.081506|4.472199|7.886645|5.686469|7.892707|6.884748|0.233683|8.084025|5.279639|4.623868|5.226294|7.975852|14.030550|73.516695| |2.104220|2.388864|2.305558|2.507128|2.934376|3.120192|2.751844|22.421762|5.936106|4.653616|3.859289|7.019743|7.572894|11.932494|12.966518|0.259088|7.476724|6.196503|4.315212|3.687505|3.900745|5.126759|8.351824|53.358707| |2.039765|2.326035|2.242107|2.460300|2.932223|3.138395|2.715475|23.090512|6.491822|4.761483|3.760525|6.460360|6.741741|12.317896|7.683164|0.166150|5.314883|4.968891|3.665773|3.102951|3.173184|3.913369|6.467542|18.538105|36.858105| |1.819650|2.051789|1.996812|2.187952|2.560519|2.687745|2.352163|20.478099|5.778167|4.361886|3.270468|5.252904|5.183033|10.450439|5.494286|0.133841|4.054564|3.812645|3.000392|2.614869|2.681708|3.216702|5.508293|11.372076|15.977531|73.516695| |2.265130|2.614015|2.466373|2.703395|3.329236|3.739126|3.170373|25.673222|7.655134|5.117994|3.868358|6.586921|6.080002|10.426225|6.131178|0.129939|5.026115|5.249191|3.902917|3.178471|3.118879|3.694631|5.871722|10.366577|12.593663|14.570519|36.858105| |2.340268|2.759088|2.638349|2.969251|3.780698|4.190330|3.379807|30.845630|10.238493|5.980692|4.319496|6.863067|5.858580|10.715025|4.985165|0.111560|4.193098|4.258067|3.369968|2.845727|2.819281|3.284190|5.371995|7.257645|7.493049|10.940251|13.731746|36.858105| |2.469946|2.905091|2.720281|3.015045|3.853112|4.471686|3.638378|29.745570|10.232196|5.841132|3.762103|5.662543|4.356167|7.689391|3.844582|0.089095|3.536223|3.777375|3.170913|2.676418|2.581211|2.881586|4.665880|5.412615|5.001762|7.796727|7.908623|13.734507|36.858105| |2.505974|2.862779|2.591909|2.760111|3.410940|4.135046|3.613900|24.338635|7.623054|4.930197|3.140666|4.816071|3.673258|6.259457|3.508396|0.081597|3.413102|3.885043|3.355946|2.754772|2.565860|2.784380|4.399977|5.043542|4.473780|6.966815|6.915333|8.009410|13.843209|36.858105| |2.405522|2.689350|2.417493|2.530365|3.050640|3.675226|3.342557|21.424157|6.324287|4.393320|2.934107|4.677229|3.692158|6.153776|3.808367|0.087317|3.780809|4.540623|3.847089|3.031302|2.765666|2.997295|4.629379|5.754337|5.052225|7.636142|7.887407|6.853196|7.896919|13.808675|36.858105| |2.291754|2.581015|2.367098|2.511813|3.026802|3.530902|3.151571|21.910456|6.352532|4.465960|3.188668|5.312184|4.499549|7.434353|4.922552|0.108366|4.635823|5.479184|4.231909|3.292491|3.072593|3.468473|5.329419|8.157889|7.662958|10.485361|13.686834|7.951459|6.879909|8.032637|13.778156|36.858105| |2.528577|2.831224|2.533250|2.643115|3.185444|3.867464|3.533766|22.017325|6.744495|4.600803|2.743827|4.056645|2.992454|5.121438|2.857947|0.068473|2.852761|3.237384|2.954475|2.483705|2.293571|2.421830|3.857276|4.021171|3.409286|5.500748|4.663369|5.303541|8.161305|14.319682|8.173397|5.318018|97.533100| |1.845307|2.049173|1.994406|2.141172|2.422245|2.526798|2.292793|18.401102|4.771544|3.978391|3.136909|5.305141|5.188186|8.873268|7.585528|0.215720|5.510492|4.666558|3.615570|3.255074|3.497409|4.418867|7.662130|17.234308|7.691608|12.209932|4.975063|3.854387|3.076552|2.932535|3.322677|4.371820|5.492047|36.858105| |1.876335|2.055303|1.993962|2.103756|2.327997|2.429900|2.263361|17.086512|4.294966|3.735375|2.917932|4.927110|4.438213|7.134487|6.655602|0.207733|5.932276|4.908483|3.984696|3.744228|4.140253|5.201272|8.947758|10.445052|5.060678|7.933530|3.892743|3.153609|2.645601|2.581967|2.924302|3.660175|4.964843|12.371259|36.858105| |1.694888|1.852912|1.784629|1.891379|2.126723|2.248865|2.073318|15.961632|4.219674|3.490937|2.585302|4.204610|3.858872|6.795121|4.991466|0.133755|4.160858|3.948906|3.215371|2.846269|2.916303|3.431528|5.794850|10.409323|6.581217|11.954417|4.620862|3.545530|2.926375|2.884655|3.364572|4.409970|5.447748|12.378845|7.764877|36.858105| |1.702089|1.895157|1.883537|2.048328|2.293033|2.318236|2.085840|18.004741|4.626381|3.986334|3.127371|5.024701|4.903880|9.271152|5.991764|0.193182|4.304087|3.582610|2.912944|2.729375|3.004168|3.753458|7.088227|10.298697|6.039275|11.096855|4.106010|3.472651|2.783738|2.576530|2.790414|3.484564|4.913413|12.408151|7.579156|7.546491|36.858105| |17.538013|8.874699|6.204365|4.431298|3.997871|4.490866|6.367547|20.833697|4.852898|4.820080|2.567757|3.535656|2.252625|3.617600|2.158969|0.055723|2.425856|2.600617|2.821583|2.829468|2.615185|2.437221|3.930742|2.647924|1.912889|3.062561|2.136761|2.229530|2.394747|2.445506|2.317977|2.172932|5.686012|1.713734|1.727075|1.591361|1.587943|0.500000| |17.573754|8.842804|5.670872|4.209156|3.973142|4.694274|7.052433|20.731273|4.825338|4.639999|2.695103|3.880090|2.472809|3.876817|2.443321|0.062684|2.870329|3.160115|3.623844|3.707306|3.275971|2.922512|4.551375|2.961201|2.093452|3.302340|2.328928|2.360134|2.485460|2.576595|2.526542|2.401877|5.834446|1.909094|1.958415|1.762448|1.737740|0.302133|0.500000| |17.580994|8.837312|7.145260|4.720259|3.971020|4.186486|5.618868|20.726798|4.636002|4.853605|2.679451|3.693187|2.318799|3.679801|2.240002|0.058723|2.561773|2.678461|2.954838|3.133533|2.963347|2.684575|4.362550|2.689466|1.898969|3.031494|2.069408|2.126164|2.208473|2.219325|2.147322|2.076859|4.998512|1.756372|1.802057|1.608457|1.634017|0.301985|0.301306|0.500000| |7.000677|8.905979|17.713932|8.953930|5.663425|4.949850|5.650192|27.877799|5.735987|6.882589|3.427964|4.377716|2.625211|4.199944|2.400369|0.063484|2.636547|2.615488|2.703662|2.834188|2.869267|2.763290|4.696856|2.820531|2.007053|3.214255|2.172365|2.302100|2.360294|2.262875|2.130890|2.093780|5.010279|1.826160|1.840635|1.642242|1.738934|0.165281|0.144240|0.215902|0.500000| |4.086834|5.622351|8.900927|17.745906|8.918079|5.633838|4.954594|47.384177|8.180114|13.251392|5.227442|5.780807|3.278241|5.327358|2.775812|0.073662|2.879085|2.720869|2.633231|2.685301|2.840609|2.949585|5.231836|3.197197|2.305379|3.697020|2.479604|2.725191|2.727534|2.472882|2.274887|2.280682|5.325286|2.038090|2.000536|1.797526|1.986332|0.103195|0.096964|0.111948|0.215323|0.500000| |4.089921|5.621496|4.952983|5.633811|8.911173|17.752553|8.904862|47.206340|13.012456|8.111120|5.214249|7.852747|4.699112|7.174001|4.027119|0.094349|4.273788|4.571775|4.100001|3.574070|3.425315|3.689740|5.764819|4.769195|3.639510|5.445607|4.605855|5.360826|5.937072|5.355213|4.565589|4.311812|10.764381|2.753807|2.585107|2.464072|2.493079|0.104920|0.111138|0.096382|0.107522|0.124111|0.500000| |7.013438|8.903080|5.650486|4.951906|5.664640|8.960475|17.714564|27.852774|6.845653|5.716613|3.425932|5.101583|3.207055|4.947825|3.081474|0.075380|3.583842|4.121902|4.385527|3.952412|3.477990|3.345208|5.073689|3.732813|2.717002|4.177319|3.222406|3.356571|3.691127|3.875347|3.653616|3.341553|8.704054|2.289182|2.265871|2.104302|2.049974|0.172544|0.209979|0.142380|0.124102|0.107549|0.215501|0.500000| |2.443351|3.010463|3.293567|4.203071|5.094038|4.219530|3.302477|58.254405|11.943935|12.021738|17.643530|12.581005|7.585449|14.403678|4.759881|0.128308|3.977916|3.348986|2.846182|2.751853|3.066056|3.720535|7.152777|5.228139|3.845963|6.138969|3.819352|4.324413|3.663665|3.003488|2.800975|3.075282|5.886284|3.181802|2.878798|2.622062|3.304490|0.062777|0.065142|0.064778|0.081018|0.119055|0.119953|0.081333|0.500000| |2.875988|3.643086|4.221529|5.659741|6.314037|4.765637|3.813084|57.876137|9.657333|12.683850|17.604456|12.437256|5.980660|9.381306|4.367722|0.119970|4.122977|3.451222|3.062480|3.099676|3.559946|4.208652|8.224614|4.593088|3.197306|5.024894|3.230001|3.486655|3.130387|2.710960|2.569246|2.764779|5.454244|2.857623|2.750897|2.366176|2.871816|0.071937|0.075474|0.077575|0.103349|0.165356|0.123216|0.090238|0.299578|0.500000| |3.248018|4.126216|4.183861|4.932589|6.190732|6.032455|4.792440|43.002341|9.144105|7.909926|9.119517|26.099856|9.372731|10.884293|7.364946|0.175482|7.997451|6.078357|4.909795|4.747755|5.519327|7.350240|11.909697|6.603739|4.284005|6.172145|4.441918|4.435809|3.841118|3.429445|3.401998|3.811806|6.597889|3.737868|3.654430|2.992101|3.420581|0.079083|0.089831|0.084475|0.098109|0.122063|0.167117|0.117467|0.180267|0.221276|0.500000| |2.746709|3.101984|2.785847|2.889299|3.430831|4.090748|3.802079|23.070854|6.078506|4.652521|3.582069|6.538780|5.242923|7.497486|6.865639|0.142025|8.986742|17.830487|8.974218|5.676366|4.982081|5.689734|7.575445|9.172671|5.862651|7.724063|6.758540|5.049399|4.449142|4.744809|5.985656|7.794918|8.500402|4.802457|4.649915|4.276673|3.613794|0.069477|0.082230|0.069307|0.067917|0.071478|0.131246|0.112506|0.090539|0.088949|0.145819|0.500000| |3.229531|3.386182|2.883407|2.778160|3.084479|3.724601|3.979569|19.102245|4.790947|4.023276|2.839629|4.753627|3.417971|5.100128|4.046051|0.097410|5.618336|8.921372|17.728568|8.907558|5.650961|4.964990|6.519947|5.112654|3.352583|4.976456|3.683122|3.206435|3.126057|3.446178|4.029075|4.215792|6.981651|3.204471|3.445343|2.984224|2.607376|0.079991|0.103647|0.081282|0.071560|0.067959|0.108681|0.125652|0.070657|0.074922|0.111803|0.216656|0.500000| |3.378861|3.410133|3.011194|2.814357|2.918209|3.271394|3.589086|17.812707|4.216797|3.888330|2.734128|4.426862|3.047451|4.555637|3.523646|0.092130|4.912102|5.649749|8.904149|17.719991|8.941354|5.654598|7.501192|4.172786|2.656716|4.072290|2.738067|2.494729|2.396102|2.491243|2.717106|2.869611|5.176251|2.779784|3.174786|2.498991|2.380653|0.080421|0.108342|0.090579|0.077456|0.070077|0.088306|0.104717|0.067381|0.076198|0.107413|0.124513|0.213871|0.500000| |2.934626|3.140414|3.031285|2.975968|3.027893|3.132768|3.197776|19.297424|4.383366|4.276759|3.212222|5.220312|3.536837|5.198725|4.091979|0.116151|5.608503|4.970911|5.648465|8.899265|17.688173|8.923497|12.880430|4.477646|2.737237|4.218290|2.672153|2.464273|2.278154|2.254402|2.395364|2.620401|4.606517|3.058910|3.625804|2.585471|2.725009|0.070044|0.086918|0.081714|0.079103|0.076771|0.083280|0.086324|0.078815|0.093578|0.129025|0.107979|0.124023|0.215131|0.500000| |2.452935|2.738631|2.788727|2.935085|3.046779|2.981353|2.829270|21.132426|4.731353|4.722621|3.890584|6.372632|4.471533|6.542429|5.140435|0.167944|6.030357|4.444245|4.181527|5.004426|7.827564|9.959907|35.745723|5.234604|3.088267|4.792089|2.844524|2.635703|2.339253|2.227229|2.334156|2.634067|4.466268|3.667731|4.355644|2.890090|3.461215|0.060101|0.069734|0.067972|0.072556|0.078639|0.080771|0.074255|0.097865|0.115736|0.149158|0.101225|0.094211|0.117333|0.233715|0.500000| |2.246048|2.667815|2.626959|3.033039|3.858281|4.015951|3.186393|34.393385|11.782406|6.677113|4.928755|7.430032|6.489060|13.420980|4.944862|0.114673|3.963682|3.793408|3.045533|2.661897|2.712100|3.202638|5.437910|6.910357|6.889374|10.797377|8.912996|17.781820|8.955822|5.690785|4.946855|5.651052|9.617996|3.778972|3.070568|3.375525|3.602474|0.059386|0.062077|0.057319|0.063991|0.078932|0.136719|0.085408|0.145228|0.107037|0.125634|0.118172|0.079255|0.065029|0.066763|0.074036|0.500000| |2.466848|2.922571|2.781415|3.126782|4.006164|4.500055|3.610290|31.857962|11.743858|6.345166|3.743390|5.292811|3.907670|7.047227|3.345323|0.079870|3.097312|3.235328|2.801507|2.432717|2.367999|2.615673|4.315640|4.575350|4.067451|6.593344|5.627806|8.877130|17.759512|8.949639|5.638580|4.959060|16.642440|2.692303|2.351322|2.550197|2.508358|0.067276|0.067754|0.061309|0.067071|0.079160|0.161305|0.099460|0.102142|0.086843|0.099029|0.101468|0.076702|0.061273|0.058953|0.060752|0.214868|0.500000| |2.349569|2.557193|2.271937|2.327349|2.734664|3.290069|3.129310|18.749246|5.376604|3.931341|2.563052|4.027865|3.125204|5.200220|3.294143|0.077457|3.384949|4.148090|3.727250|2.939513|2.623479|2.762882|4.253105|4.938428|4.111705|6.425720|5.607721|4.943955|5.641810|8.947901|17.739451|8.853634|16.721810|2.992041|2.714751|3.104434|2.514688|0.063352|0.069447|0.058243|0.056172|0.058200|0.109202|0.097365|0.067799|0.063678|0.082906|0.147338|0.113324|0.074670|0.063587|0.060387|0.107462|0.124464|0.500000| |2.166219|2.392564|2.194402|2.296683|2.697318|3.101926|2.856536|19.285371|5.391404|4.015369|2.874128|4.793864|4.087000|6.706393|4.834659|0.108709|4.690517|5.689689|4.432603|3.409211|3.146561|3.519520|5.354152|8.496985|7.155099|10.099076|8.902198|5.651309|4.955438|5.692437|8.960468|17.711796|9.628230|4.814273|4.087501|5.170881|3.633725|0.056853|0.063696|0.055027|0.054530|0.058300|0.101092|0.084570|0.077124|0.070763|0.097460|0.227183|0.123813|0.082544|0.074308|0.073872|0.124153|0.107624|0.213932|0.500000| |1.970564|2.140365|2.041869|2.124016|2.351454|2.507790|2.373401|16.809015|4.239421|3.648938|2.801421|4.767802|4.138582|6.475613|6.206058|0.173371|6.433924|5.809669|4.749984|4.325682|4.565860|5.478177|8.545479|9.590346|4.825835|7.345184|3.953949|3.149257|2.694827|2.700025|3.136160|3.926988|5.199028|8.738848|17.576296|7.029390|5.493720|0.050253|0.057849|0.052309|0.052215|0.055471|0.074290|0.066996|0.075247|0.073411|0.101117|0.151251|0.113616|0.100677|0.107830|0.117089|0.082875|0.065954|0.082116|0.126417|0.500000| |1.704905|1.845931|1.798103|1.886691|2.060280|2.135009|2.007895|15.139522|3.804201|3.370402|2.541268|4.130157|3.612459|6.033459|4.878715|0.152459|4.461547|3.889453|3.342624|3.211242|3.508692|4.153584|7.392984|7.599066|4.164563|6.950555|3.285349|2.732084|2.335665|2.291215|2.575592|3.138155|4.477154|8.877685|17.573758|7.284100|6.933512|0.043860|0.049347|0.045757|0.046555|0.050233|0.062624|0.055916|0.070390|0.067343|0.084654|0.103894|0.082676|0.078164|0.088620|0.104949|0.074408|0.058351|0.067422|0.097324|0.301642|0.500000| |1.954554|2.153684|2.113311|2.239493|2.457551|2.523978|2.346176|18.026318|4.421182|3.954101|3.177512|5.406660|4.784008|7.468195|7.186971|0.261598|6.547323|4.914367|4.047664|4.003394|4.751534|6.344841|11.875617|9.156945|4.534969|7.048122|3.615621|3.040129|2.562119|2.466736|2.727754|3.330804|4.780587|8.618193|17.598710|5.541057|6.879204|0.049576|0.056393|0.052526|0.054304|0.059451|0.073423|0.064354|0.086404|0.084677|0.112759|0.122294|0.094547|0.093232|0.116798|0.156682|0.083754|0.064067|0.070095|0.099576|0.301097|0.304451|0.500000| |1.629712|1.786760|1.726934|1.841560|2.080656|2.192003|2.003755|15.871151|4.271726|3.483127|2.531870|4.033105|3.708445|6.826870|4.451452|0.117695|3.639833|3.491863|2.869001|2.538743|2.587782|3.018585|5.157839|9.095079|6.958919|14.995078|4.809898|3.733740|3.054350|2.976362|3.428943|4.474027|5.597185|8.680912|5.562561|17.691444|6.921967|0.042807|0.046795|0.042863|0.044125|0.048780|0.067219|0.056392|0.072430|0.063772|0.078239|0.107137|0.075059|0.062546|0.064282|0.071817|0.099399|0.073947|0.086960|0.140733|0.141425|0.147409|0.122371|0.500000| |1.576512|1.706449|1.650571|1.738452|1.925544|2.018582|1.882911|14.372506|3.750167|3.193885|2.321600|3.698023|3.291327|5.812854|4.137911|0.116402|3.601084|3.404417|2.891590|2.633684|2.716625|3.128669|5.392793|7.587895|4.826706|8.928724|3.659121|2.954469|2.508486|2.483468|2.848275|3.551114|4.804032|8.859511|7.363954|17.562579|6.811177|0.041172|0.045530|0.041858|0.042559|0.046188|0.060557|0.053014|0.065492|0.060020|0.073717|0.099181|0.074954|0.065228|0.068213|0.076350|0.079250|0.061883|0.074563|0.113657|0.180518|0.232134|0.147340|0.302328|0.500000| |1.764558|1.917005|1.820589|1.909137|2.150751|2.318558|2.162335|15.796236|4.192277|3.430660|2.509987|4.115741|3.674186|6.259749|4.805277|0.122859|4.316131|4.377942|3.572008|3.064025|3.036666|3.489543|5.649842|9.697008|6.241691|10.462077|4.820684|3.590569|3.030817|3.091808|3.758206|5.010662|5.822965|8.779360|6.985322|17.537905|5.490281|0.046022|0.051447|0.046258|0.046406|0.049925|0.070963|0.061834|0.069447|0.063859|0.083000|0.136234|0.093683|0.074690|0.073809|0.078611|0.091692|0.072408|0.098081|0.177846|0.208880|0.175468|0.140996|0.300729|0.301994|0.500000| |1.768371|1.984834|1.997863|2.194171|2.446261|2.426731|2.167901|19.437825|4.874794|4.319785|3.525093|5.658326|5.570923|10.517206|6.535025|0.240552|4.556573|3.604391|2.941802|2.822109|3.208430|4.125567|8.303401|9.309106|5.357730|9.277970|3.865907|3.397237|2.733036|2.494827|2.648419|3.240479|4.787785|8.728671|6.838593|5.472686|17.549150|0.045575|0.049847|0.047397|0.051273|0.059548|0.071619|0.058409|0.104507|0.090770|0.105635|0.097839|0.072033|0.068046|0.081549|0.110932|0.100221|0.069306|0.066141|0.091652|0.140144|0.168161|0.203200|0.140145|0.140230|0.122519|0.500000| |1.573758|1.730741|1.720739|1.852253|2.040964|2.060680|1.883096|15.810139|4.032072|3.562942|2.689990|4.208386|3.869005|7.196606|4.620791|0.148267|3.647126|3.124637|2.634177|2.508640|2.750705|3.321780|6.310249|7.512517|4.620521|8.674748|3.388978|2.919057|2.419361|2.276635|2.468101|3.003942|4.420833|8.819419|7.005031|6.931396|17.538452|0.040899|0.044700|0.042207|0.044531|0.050128|0.060919|0.051603|0.078480|0.070059|0.081189|0.086855|0.066229|0.061743|0.070611|0.088516|0.083365|0.061206|0.062988|0.088285|0.141873|0.211119|0.174387|0.174220|0.204958|0.140661|0.302276|0.500000| |1.653274|1.847108|1.839584|2.014804|2.273063|2.292131|2.042198|18.227684|4.790782|4.044609|3.105882|4.862892|4.767281|9.756976|5.274676|0.156948|3.804150|3.277267|2.676248|2.478870|2.678153|3.279502|6.103418|9.305559|6.535282|13.797199|4.332809|3.732680|2.943505|2.677317|2.860601|3.565690|5.079680|8.782014|5.502408|6.846714|17.648989|0.043149|0.046654|0.043924|0.047094|0.054417|0.069136|0.055713|0.093339|0.077926|0.089855|0.094390|0.067629|0.060601|0.067669|0.083553|0.109886|0.073839|0.070872|0.100919|0.122733|0.142178|0.139811|0.205361|0.165685|0.140884|0.301849|0.300446|0.500000| 2016.881550 -13614.823455 5383.367642 -240.580623 -6455.154886 4435.737053 -2019.417833 2.001258 BC43EC27D7FFFFEF 456317D667878099 44E21A64E31BF8FB 422AD9BD1FFFFFFD B389B604819B87BF 44057C05B0F82764