Version2.1 2020-12-05T03:21:01Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCSCCOC(=O)C1[C@@H](C2=C(C[C@H](CC2=O)c3ccccc3)N=C1C)c4cccc(c4)F C08916435 RHF 6-31G(d) (6D,7F) CCSCCOC(=O)C1[C@@H](C2=C(C[C@H](CC2=O)c3ccccc3)N=C1C)c4cccc(c4)F C01[X(C27H28F1N1O3S1)] 177 C1 555 CCSCCOC(=O)C1C(=NC2=C([C@H]1c1cccc(c1)F)C(=O)C[C@@H](C2)c1ccccc1)C CCSCCOC(=O)C1C(=NC2=C([C@H]1c1cccc(c1)F)C(=O)C[C@@H](C2)c1ccccc1)C CCSCCOC(=O)C1[C@H](c2cccc(F)c2)C3=C(C[C@H](CC3=O)c4ccccc4)N=C1C InChIKey=SCTVYXAMPJGYJV-AXLDUTFISA-N InChI=1S/C27H28FNO3S/c1-3-33-13-12-32-27(31)24-17(2)29-22-15-20(18-8-5-4-6-9-18)16-23(30)26(22)25(24)19-10-7-11-21(28)14-19/h4-11,14,20,24-25H,3,12-13,15-16H2,1-2H3/t20-,24?,25+/m1/s1 InChI=1/C27H28FNO3S/c1-3-33-13-12-32-27(31)24-17(2)29-22-15-20(18-8-5-4-6-9-18)16-23(30)26(22)25(24)19-10-7-11-21(28)14-19/h4-11,14,20,24-25H,3,12-13,15-16H2,1-2H3/t20-,24?,25+/m1/s1 CCSCCOC(=O)C1[C@@H](C2=C(C[C@H](CC2=O)c3ccccc3)N=C1C)c4cccc(c4)F C01[X(C27H28F1N1O3S1)] 177 C01 555 CCSCCOC(=O)C1C(=NC2=C([C@H]1c1cccc(c1)F)C(=O)C[C@@H](C2)c1ccccc1)C CCSCCOC(=O)[C@@H]1C(=NC2=C([C@H]1[C]1[CH][CH][CH][C]([CH]1)F)C(=O)C[C@@H](C2)[C]1[CH][CH][CH][CH][CH]1)C CCSCCOC(=O)[C@H]1[C@H]([C]2[CH][CH][CH][C](F)[CH]2)C3=C(C[C@H](CC3=O)[C]4[CH][CH][CH][CH][CH]4)N=C1C InChIKey=SCTVYXAMPJGYJV-ZPZUNKDASA-N InChI=1S/C27H28FNO3S/c1-3-33-13-12-32-27(31)24-17(2)29-22-15-20(18-8-5-4-6-9-18)16-23(30)26(22)25(24)19-10-7-11-21(28)14-19/h4-11,14,20,24-25H,3,12-13,15-16H2,1-2H3/t20-,24-,25+/m1/s1 InChI=1/C27H28FNO3S/c1-3-33-13-12-32-27(31)24-17(2)29-22-15-20(18-8-5-4-6-9-18)16-23(30)26(22)25(24)19-10-7-11-21(28)14-19/h4-11,14,20,24-25H,3,12-13,15-16H2,1-2H3/t20-,24-,25+/m1/s1 3431.1762143767 -1814.7611795 1-A 21021.3375 123 432 555 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5.3044 6.2025 4.6104 4.6161 5.5450 3.3838 3.9326 1.8241 2.6210 4.8282 5.5617 1.2549 3.1438 1.9243 1.1261 1.4818 5.3662 4.4361 1.2736 1.6096 2.7879 1.9315 1.9406 1.4292 3.7090 1.5069 2.2891 3.5799 4.2765 6.2289 5.0535 1.3658 2.0357 1.3597 1.4806 2.6176 1.2763 2.2858 3.0746 2.1264 2.3655 1.2484 1.9746 1.7661 1.9320 2.2680 3.0853 2.3092 3.3916 2.7023 1.8204 1.2407 1.7236 1.2491 1.4394 1.9278 1.9879 1.3501 2.0475 2.0915 1.4550 1.2127 1.6359 2.0447 1.3391 1.3572 2.3347 1.0855 1.7482 1.7910 1.3482 2.3271 1.4505 1.6887 1.4674 1.8027 1.4223 1.7437 1.4549 1.4205 1.1001 1.0590 2.6171 1.4575 1.0603 1.4050 1.0858 1.0389 1.0852 1.0810 2.5147 1.0887 2.1744 5.1058 5.8804 5.2780 5.9852 9.3559 9.7820 12.1746 12.6295 1.0809 1.0445 1.0695 1.0359 1.0702 1.0835 1.0586 1.0582 1.0983 1.1080 1.0943 1.0584 1.1026 1.1094 1.0960 1.1065 1.0852 1.1030 1.1120 1.0866 1.0890 1.0889 1.0921 1.0957 1.0943 1.0990 1.0965 1.0924 0.0001 0.0015 0.0019 0.0022 0.0030 0.0030 0.0029 0.0094 0.0086 0.0142 0.0137 0.0213 0.0228 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6.5115 6.5418 6.8644 6.9812 6.9008 6.6878 6.9874 7.0626 6.9882 7.0742 7.0082 7.1939 7.2792 7.1871 7.2210 7.2651 7.2901 7.3552 7.3779 7.4315 7.4801 7.4711 0.3391 1.1541 1.0492 0.4256 0.9492 0.1802 1.8612 0.5211 0.2185 0.2730 1.0463 0.0527 1.1600 0.8965 2.4760 0.5256 0.3457 1.0380 0.1605 3.1182 1.5749 0.8100 1.4498 1.8363 0.1081 0.4486 7.5195 3.0704 7.4284 0.7033 7.8007 5.9128 7.9256 13.3636 6.7045 0.0313 4.2262 1.0595 1.4676 5.2058 11.0335 11.8174 4.5616 15.3103 4.8840 14.6609 3.5156 6.6340 2.2325 0.5793 2.7748 2.5891 3.9003 4.2977 7.9583 19.3088 12.9647 52.8889 1.5377 1.5203 11.7585 26.8923 2.1214 43.9311 9.9699 0.0399 0.2189 3.4386 12.4284 2.9305 12.8293 2.2805 25.7005 2.6309 2.9629 6.0843 11.9619 1.5880 4.2448 0.0492 13.6331 1.1241 9.6693 44.1271 3.9982 3.0362 11.6072 10.2192 18.9509 0.5482 22.0479 7.3509 24.5105 2.2100 2.8526 0.4546 1.3879 9.0685 10.9130 14.1438 4.8250 1.0409 0.2461 12.8043 14.6754 5.0186 10.1370 481.0931 71.8830 0.3906 61.6407 72.9908 11.6550 2.2798 82.9053 1.0474 60.0929 117.1781 47.3062 203.7202 35.9865 38.9661 8.1389 27.4608 16.9355 49.0425 27.0598 5.4843 2.2116 8.7658 29.6762 4.2216 3.1559 11.2287 13.4288 6.4673 3.0405 0.9896 49.9847 4.3602 17.3419 2.3987 62.4149 10.3692 68.6095 122.2443 191.0631 275.1726 321.8700 1.3302 11.7123 11.2520 39.3595 25.7385 11.2013 22.2644 27.3804 19.7768 0.8359 19.2445 12.8394 37.0645 10.5492 13.3463 42.9294 0.6073 10.1396 22.9556 10.0970 2.4933 6.2010 17.6490 49.1556 17.3935 26.9288 10.3769 1.6679 1.0588 0.7559 3.9159 4.0179 1.2701 1.4976 0.5510 3.5135 2.9144 4.6468 0.4203 1.7613 1.2884 0.7224 0.1224 0.7205 3.2805 0.3026 1.4870 0.4601 0.2963 1.2695 3.1806 2.1465 0.0585 2.6304 0.3716 1.1749 2.3583 2.3879 0.9281 1.1750 1.5239 1.3975 1.4979 0.1082 0.1855 0.6210 3.3986 0.9558 3.3870 0.8996 3.5529 1.7046 1.9880 0.4351 0.3799 0.9699 3.7708 3.7801 1.5069 7.3581 11.7383 1.2232 21.8385 1.1019 3.4183 5.5566 10.3043 3.0574 11.6430 1.4943 0.2355 1.2902 2.0257 11.4001 2.2260 0.8305 3.6622 1.8580 3.4214 0.7954 12.1296 1.8913 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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 17130.7712 23159.3543 35720.5114 0.99974 -0.02100 -0.00942 0.02096 0.99977 -0.00374 0.00950 0.00354 0.99995 1 0.00506 0.00374 0.00242 0.10535 0.07793 0.05052 7.64 29.72 34.18 42.97 45.55 46.63 57.40 77.67 81.84 101.17 107.85 121.94 131.24 155.28 161.19 175.52 221.34 244.51 267.06 271.64 296.27 309.84 333.59 349.23 373.79 388.53 398.38 429.42 434.31 449.81 478.41 555.67 566.76 601.15 638.26 656.68 672.08 707.38 723.75 738.21 787.13 794.88 815.71 853.16 868.56 899.68 927.82 954.33 974.07 979.99 990.76 1050.88 1072.09 1087.34 1093.14 1125.56 1138.29 1184.71 1205.55 1226.06 1226.72 1236.77 1252.97 1284.90 1308.26 1344.31 1376.20 1385.82 1415.71 1424.06 1441.09 1461.10 1485.58 1493.44 1531.99 1535.96 1560.39 1567.86 1576.02 1583.34 1590.75 1593.53 1619.05 1620.15 1621.30 1629.08 1640.19 1651.46 1662.45 1670.39 1699.43 1708.73 1710.50 1717.42 1743.71 1749.95 1760.15 1772.81 1823.79 1826.56 1874.11 1879.70 1883.10 1893.15 1909.79 1933.05 1933.20 1977.55 1990.01 2001.72 2008.53 2010.17 2021.62 2044.51 2059.25 2065.32 2082.67 2089.20 2096.07 2108.87 2144.32 2159.07 2178.92 2204.22 2242.79 2251.16 2252.11 2264.62 2316.47 2326.21 2328.07 2333.19 2338.74 2341.30 2354.13 2357.95 2367.22 2371.94 2396.19 2402.86 2406.82 2567.84 2585.10 2607.00 2614.26 2635.07 2725.82 2848.87 2893.31 4600.21 4613.52 4614.45 4623.59 4623.88 4646.73 4648.73 4660.39 4686.11 4705.07 4707.08 4711.87 4718.66 4729.31 4733.13 4739.43 4763.49 4786.89 4795.72 4820.66 4826.73 4841.78 4842.82 4856.58 4866.96 4874.30 4895.70 4901.89 0.534131 0.563737 0.564682 0.466734 -1814.227049 -1814.197442 -1814.196498 -1814.294445 3.285158D-04 MUNgauss RevisionA2.0 retrievium 05-Dec-2020 DUDE CCSCCOC(=O)C1[C@@H](C2=C(C[C@H](CC2=O)c3ccccc3)N=C1C)c4cccc(c4)F C08916435 RHF 6-31G(d) (6D,10F) C1 465.177394 |X|Y|Z| 107.219382 90.077402 37.568633 71.324409 22 6 7 21 1 |36.858105| |12.485353|36.858105| |6.930648|10.475727|388.023441| |4.562660|6.849927|74.611483|36.858105| |3.516565|4.576127|49.619925|12.553087|36.858105| |2.918772|3.710938|33.994837|8.079672|13.358192|73.516695| |2.466901|2.984788|26.688208|5.285223|8.104792|25.589508|36.858105| |2.375491|2.797364|25.644533|4.619340|7.191143|15.318016|16.068382|73.516695| |2.145724|2.556976|21.317344|4.050449|5.139380|14.278126|12.461982|14.091826|36.858105| |1.879217|2.176953|17.966985|3.180394|3.936388|9.263961|7.537064|11.894792|12.355564|36.858105| |1.867466|2.142511|18.031397|3.110564|3.968440|8.823748|7.488870|14.198106|8.948213|17.650883|0.500000| |1.870012|2.159284|17.631700|3.082870|3.703823|8.352974|6.032140|9.719303|7.709821|12.604538|0.251524|36.858105| |1.978771|2.314105|18.522473|3.313278|3.810879|8.717510|5.599229|8.398477|6.931338|7.703773|0.162902|14.266546|36.858105| |1.921813|2.216619|17.368801|2.982356|3.278658|6.897207|4.119379|6.565412|4.527776|4.894502|0.116568|7.601294|12.659715|36.858105| |1.823519|2.061506|16.390258|2.697472|3.019064|6.024480|3.689319|6.307839|3.816016|4.363041|0.112397|6.620590|7.548364|12.423535|36.858105| |1.968037|2.230907|18.153511|2.975783|3.402506|6.629181|4.055293|7.106934|3.929417|4.364198|0.116869|6.303750|6.822277|8.975389|17.525725|0.500000| |1.653155|1.851605|14.794067|2.412305|2.751219|5.527152|3.555584|6.274844|3.815397|4.837202|0.127623|7.457023|6.645212|7.589223|12.415964|0.249137|36.858105| |1.711038|1.933721|15.745364|2.622163|3.106486|6.462937|4.472707|8.002015|4.994679|7.410877|0.198331|12.862781|7.764563|6.484386|7.534674|0.193722|12.568656|36.858105| |1.620045|1.811865|14.827994|2.419874|2.887053|5.861533|4.112532|7.784400|4.476963|6.708319|0.207973|8.145573|5.390267|4.608996|5.302355|0.144594|8.025869|15.918132|73.516695| |1.713124|1.904685|14.782747|2.354012|2.540845|4.893402|2.888734|4.981034|2.948931|3.246132|0.085131|4.362918|4.914398|7.499539|12.535535|0.250317|7.486273|4.899584|6.981954|36.858105| |1.763122|1.937664|15.029666|2.326487|2.482448|4.611242|2.667191|4.676406|2.618739|2.799247|0.075281|3.555627|3.907074|5.319267|7.553004|0.207906|5.284445|3.919511|5.918235|13.715959|36.858105| |1.635366|1.770384|13.458895|2.040572|2.133538|3.917185|2.239959|3.930017|2.210232|2.337806|0.063037|2.852472|3.101488|4.005723|5.004304|0.134608|3.988626|3.105195|4.863524|7.880390|13.734797|36.858105| |1.496999|1.617832|12.141254|1.849846|1.921945|3.572757|2.048725|3.565606|2.068815|2.201112|0.058770|2.665658|2.901330|3.726138|4.410994|0.111475|3.721009|2.894120|4.557163|6.805599|7.935414|13.773284|36.858105| |1.465252|1.597567|12.001896|1.862259|1.947113|3.696302|2.142344|3.692050|2.218741|2.397715|0.063063|2.957779|3.248237|4.286354|4.989679|0.116810|4.294745|3.226884|4.990222|7.884105|6.902240|7.966548|13.738515|36.858105| |1.555099|1.717250|13.075795|2.071655|2.201015|4.260728|2.505707|4.288349|2.631385|2.901712|0.075280|3.762247|4.208448|6.024425|7.487184|0.155602|6.055240|4.168483|6.145786|13.674815|7.983389|6.895394|7.930068|13.768618|36.858105| |2.102269|2.508903|19.676592|3.682178|4.071436|9.916424|5.821299|8.005072|7.818608|6.655081|0.139322|7.926904|13.541232|7.811772|5.050067|0.133077|4.473026|5.064258|7.147978|3.831758|3.226151|2.680712|2.541422|2.806252|3.449091|53.358707| |2.189126|2.643099|21.057763|4.092690|4.661460|12.601779|7.529140|9.357708|12.500316|7.549104|0.155220|6.883577|8.280296|5.306374|3.998784|0.110279|3.751973|4.486093|6.767513|3.134751|2.742043|2.321990|2.195522|2.380593|2.838093|20.564948|36.858105| |2.241734|2.731411|20.851402|4.065228|4.235639|10.628768|5.526890|7.342865|7.333127|4.989476|0.113395|4.487768|5.159960|3.957727|3.111546|0.085701|2.921435|3.327775|5.249263|2.597809|2.329872|2.033220|1.944912|2.091507|2.417433|10.845795|12.701133|36.858105| |1.668843|1.906851|15.292568|2.631088|3.091943|6.918530|4.973618|8.115487|7.493048|12.484033|0.250222|7.457289|5.561441|3.981168|3.568040|0.095099|4.092765|5.712948|10.012734|2.818621|2.425486|2.085030|2.012969|2.219811|2.643306|7.146250|5.857908|4.514573|36.858105| |1.574150|1.777394|14.277103|2.394220|2.809740|6.024106|4.261653|7.402252|5.610424|7.574085|0.206126|5.091400|4.011243|3.118435|2.922753|0.079460|3.354636|4.467080|8.596101|2.396518|2.116138|1.849789|1.787473|1.945738|2.261959|5.244688|4.343316|3.679569|13.691948|36.858105| |1.431913|1.601061|12.617214|2.078136|2.364829|4.939000|3.299943|5.709717|4.144143|5.013658|0.134230|3.888315|3.273984|2.675352|2.512943|0.067479|2.863891|3.566368|6.801548|2.130345|1.890038|1.681849|1.647206|1.798018|2.058367|4.378149|3.535329|3.191585|7.893475|13.756909|36.858105| |1.374475|1.535988|11.902237|1.961259|2.181809|4.560903|2.951642|4.981237|3.744643|4.401907|0.111399|3.682194|3.238172|2.694142|2.483374|0.065300|2.810223|3.364862|6.163703|2.134511|1.874367|1.680434|1.668132|1.842733|2.106685|4.402467|3.455009|3.190140|6.797193|7.916017|13.755232|36.858105| |1.437468|1.618895|12.489354|2.088749|2.311593|4.928104|3.172396|5.202752|4.199060|5.004015|0.117860|4.360808|3.919327|3.199842|2.849492|0.073336|3.212041|3.828790|6.662692|2.419301|2.081300|1.852092|1.847583|2.071051|2.405909|5.374584|4.101531|3.698972|7.974714|6.968521|8.055162|13.838381|36.858105| |1.580226|1.800275|14.073061|2.406734|2.715263|5.987510|3.979698|6.357426|5.712808|7.460968|0.156701|6.292085|5.420090|4.057960|3.494106|0.089463|3.953330|5.001161|8.282852|2.833883|2.396095|2.084859|2.054122|2.309269|2.753628|7.289832|5.538078|4.523494|13.706224|7.959811|6.881433|7.880150|13.822467|36.858105| |1.364041|1.529195|11.601276|1.923055|2.079800|4.366902|2.715390|4.441345|3.458614|3.902740|0.093361|3.673823|3.510150|3.019281|2.666416|0.067704|2.943030|3.302212|5.628487|2.333095|2.004430|1.809304|1.833392|2.074226|2.382565|4.898567|3.597573|3.382270|5.298267|4.686162|5.319907|8.169504|14.307479|8.182657|97.533100| |17.570585|8.787353|45.889257|4.225871|3.392361|4.981465|2.399994|4.158559|2.081886|1.827748|0.050847|1.796509|1.875965|1.804587|1.722217|0.051577|1.581427|1.649653|2.802298|1.611471|1.652082|1.532524|1.407103|1.380983|1.466601|2.701914|2.088482|2.140485|1.631593|1.554964|1.417353|1.353341|1.404331|1.536322|2.988135|0.500000| |17.558885|8.854201|36.463906|3.862369|3.031786|4.648976|2.233027|3.796973|1.985728|1.748401|0.047958|1.745005|1.855711|1.814591|1.714071|0.050876|1.554915|1.599313|2.689060|1.625030|1.669846|1.563059|1.441798|1.411974|1.489283|2.697316|2.051710|2.126805|1.570170|1.481077|1.357858|1.312369|1.374183|1.501369|2.955014|0.301323|0.500000| |17.570778|8.787688|45.890310|4.226503|3.394475|4.984796|2.403638|4.166453|2.082101|1.848879|0.051277|1.861416|1.967505|1.935026|1.860032|0.056162|1.677427|1.721621|2.897499|1.760838|1.835588|1.707487|1.550654|1.504033|1.589528|2.801760|2.115713|2.125826|1.634299|1.539293|1.397805|1.341077|1.403778|1.546017|2.997689|0.301129|0.301330|0.500000| |8.832577|17.582026|56.462340|6.534207|4.387329|6.581838|2.969285|4.878995|2.582198|2.205704|0.059645|2.228863|2.435641|2.371754|2.184622|0.065538|1.929738|1.990666|3.278295|2.033051|2.075202|1.897505|1.730744|1.705172|1.830655|3.613919|2.741855|2.826855|1.927155|1.774924|1.599161|1.546322|1.645364|1.837523|3.517929|0.172848|0.212798|0.210995|0.500000| |8.832979|17.581279|56.457444|6.531619|4.382617|6.574019|2.962368|4.866234|2.581742|2.170113|0.058972|2.120028|2.268341|2.143219|1.970446|0.058562|1.787658|1.881838|3.142458|1.812542|1.820659|1.665803|1.537810|1.532015|1.649806|3.407196|2.683421|2.861511|1.922705|1.798999|1.628548|1.565156|1.646237|1.821319|3.502519|0.210992|0.212812|0.172855|0.301697|0.500000| |4.356812|6.494296|56.220708|17.590365|8.907111|13.094828|4.960722|7.530714|4.005301|3.183136|0.084596|3.207358|3.593109|3.314760|2.931886|0.089709|2.544988|2.710253|4.355910|2.570760|2.543459|2.221218|2.006666|2.018663|2.251060|5.521592|4.322594|4.261140|2.627828|2.344121|2.041767|1.953854|2.112330|2.449920|4.420028|0.107271|0.105774|0.114787|0.199444|0.166370|0.500000| |4.352735|6.482896|56.242539|17.586589|8.901469|13.066222|4.937991|7.498199|4.008282|3.081794|0.082801|2.908133|3.113637|2.764019|2.467414|0.073947|2.243953|2.454745|4.054455|2.163240|2.112935|1.872203|1.721677|1.747335|1.937804|4.859228|4.106112|4.383246|2.618558|2.402425|2.105452|1.993303|2.115104|2.413133|4.390842|0.114724|0.105654|0.107200|0.166022|0.198953|0.301251|0.500000| |3.385694|4.227626|46.005452|8.798735|17.632552|16.497890|7.221137|12.813744|4.718730|3.706541|0.107209|3.351462|3.318285|2.853153|2.680727|0.083001|2.519564|2.876450|4.894272|2.279663|2.229798|1.939372|1.759366|1.782111|1.999210|4.759533|4.058304|3.784647|2.988906|2.809952|2.372474|2.156189|2.239382|2.589007|4.504761|0.094218|0.080839|0.089986|0.107708|0.115178|0.173557|0.212230|0.500000| |3.390860|4.234712|46.076954|8.802873|17.637976|16.503202|7.272556|12.948441|4.705176|3.880655|0.111027|3.828282|3.911394|3.466483|3.306063|0.107328|2.966826|3.309412|5.447346|2.770014|2.752795|2.334221|2.065600|2.071195|2.346737|5.367295|4.259537|3.700693|2.999184|2.715342|2.280690|2.104889|2.234116|2.631745|4.532590|0.090052|0.080954|0.094427|0.115495|0.107761|0.212220|0.173540|0.301800|0.500000| |2.081739|2.465657|20.321597|3.788233|4.662604|12.053366|9.118656|11.896317|17.537248|8.804802|0.204109|5.598847|5.078262|3.641292|3.149324|0.089328|3.201733|4.069610|6.833661|2.533291|2.279308|1.963733|1.855313|1.983236|2.308759|7.944034|8.918339|7.219543|7.268491|6.106404|4.552367|4.007994|4.315498|5.529569|7.877713|0.056724|0.053720|0.055555|0.068180|0.070371|0.100988|0.108685|0.126270|0.114467|0.500000| |2.093126|2.439267|18.907253|3.274111|3.485771|7.206877|4.046679|6.354765|4.233214|4.210031|0.102467|5.796784|9.003404|17.560682|8.792458|0.219161|5.517570|4.920275|6.710687|6.737193|5.370351|4.097409|3.724614|4.102799|5.376060|10.111193|5.153802|4.022078|3.440591|2.775114|2.405848|2.415567|2.820947|3.478184|6.054137|0.053941|0.054936|0.058683|0.073825|0.065000|0.104709|0.083216|0.082307|0.102754|0.095817|0.500000| |1.774433|2.028622|15.547155|2.631677|2.825442|5.894922|3.488233|5.579560|3.963632|4.311184|0.102073|6.170746|9.012008|17.517750|8.754471|0.174280|6.628483|5.512554|7.321414|6.915162|4.797126|3.851311|3.806014|4.642780|6.658973|9.319965|4.749294|3.749897|3.800368|2.990247|2.639118|2.736610|3.320606|4.126076|7.301960|0.046364|0.047004|0.049439|0.060295|0.054962|0.080759|0.069128|0.069542|0.081316|0.092109|0.305135|0.500000| |1.586853|1.756255|14.071063|2.239394|2.551642|4.972430|3.177965|5.797826|3.287922|4.076557|0.113425|5.573907|4.920595|5.496216|8.737852|0.213258|17.600063|8.989883|13.446460|6.824135|5.339943|4.104953|3.772153|4.202376|5.552576|4.914324|3.157220|2.538723|3.528827|3.040916|2.633528|2.554388|2.830692|3.352835|5.858478|0.042323|0.041422|0.044995|0.050595|0.046887|0.065012|0.057683|0.065774|0.077250|0.078585|0.123010|0.137076|0.500000| |1.543619|1.722486|13.529569|2.200181|2.460387|4.964377|3.146927|5.458450|3.498145|4.403696|0.112919|6.357053|5.945890|6.845144|8.785526|0.174267|17.505447|9.025180|11.807726|6.751905|4.674833|3.759125|3.722654|4.553007|6.542752|5.782656|3.542068|2.826472|4.034549|3.301260|2.903853|2.939037|3.429590|4.146135|7.248274|0.041047|0.040629|0.043324|0.049920|0.046528|0.064524|0.057677|0.063042|0.072237|0.083523|0.138939|0.194545|0.302784|0.500000| |1.899615|2.089331|16.491892|2.531215|2.727531|4.965948|2.860597|5.085083|2.718620|2.870473|0.078447|3.601623|3.898653|5.030957|7.028513|0.232413|4.986635|3.931619|6.005976|8.919218|17.701227|8.936487|5.652002|4.965953|5.660962|4.397980|2.796486|2.364965|2.432424|2.135235|1.888167|1.847990|2.033106|2.351344|4.351970|0.049380|0.049532|0.055369|0.062071|0.053970|0.076793|0.062840|0.067663|0.086059|0.065418|0.145170|0.119614|0.142123|0.116975|0.500000| |1.645376|1.761821|13.353456|1.984663|2.059469|3.712221|2.104205|3.720601|2.044761|2.136865|0.058204|2.545329|2.735869|3.388731|4.090667|0.115401|3.372555|2.743980|4.387944|5.625921|8.921913|17.712383|8.916828|5.654112|4.963270|3.284409|2.130001|1.888117|1.907280|1.712679|1.561246|1.551710|1.693053|1.891886|3.714133|0.042793|0.043701|0.048112|0.052432|0.045757|0.059802|0.050413|0.052231|0.062866|0.050868|0.097898|0.089578|0.097583|0.087634|0.216239|0.500000| |1.416619|1.517103|11.279488|1.698360|1.749484|3.226931|1.840426|3.210380|1.854691|1.958487|0.052514|2.318155|2.499959|3.095776|3.531694|0.091234|3.092202|2.494384|4.003304|4.916854|5.640914|8.909143|17.716586|8.899983|5.640867|3.046428|1.962901|1.766443|1.811598|1.626955|1.512821|1.534747|1.687178|1.851644|3.788848|0.037030|0.038086|0.040810|0.045021|0.040098|0.050959|0.044120|0.044782|0.051955|0.046704|0.086637|0.088287|0.087624|0.086588|0.124233|0.214524|0.500000| |1.369478|1.487497|11.080936|1.715273|1.783277|3.392230|1.964602|3.377982|2.056230|2.219290|0.058223|2.680927|2.919483|3.699302|4.074700|0.096485|3.711786|2.896112|4.555226|5.626106|4.966789|5.656234|8.908436|17.712201|8.935513|3.512713|2.211566|1.972817|2.099965|1.853844|1.736458|1.798375|2.020494|2.215670|4.622466|0.035946|0.036838|0.038897|0.043991|0.039857|0.051406|0.045121|0.045648|0.052151|0.051644|0.098036|0.114614|0.100600|0.113039|0.107737|0.124169|0.214501|0.500000| |1.505100|1.668191|12.676778|2.030421|2.163714|4.262600|2.532474|4.294240|2.740994|3.073943|0.078350|4.009067|4.480300|6.235318|6.915683|0.139838|6.311502|4.410062|6.443085|8.880955|5.656720|4.962981|5.654137|8.967989|17.706891|4.986263|2.983856|2.534626|2.870909|2.426025|2.222724|2.311317|2.687701|3.077574|6.065324|0.039570|0.040113|0.042420|0.049201|0.044907|0.060981|0.053329|0.054842|0.063212|0.066993|0.145201|0.215004|0.151483|0.216253|0.124099|0.107687|0.124363|0.217147|0.500000| |2.227691|2.709219|19.954626|3.802048|3.756835|8.770332|4.445991|6.198904|5.436041|4.149334|0.096078|4.026983|4.875014|4.008181|3.078905|0.083617|2.820808|3.085588|4.817304|2.633018|2.360690|2.078147|2.003299|2.160718|2.482463|10.363889|8.947943|17.628599|3.827849|3.151842|2.813514|2.884275|3.379956|4.022302|7.269315|0.058411|0.059423|0.058740|0.079556|0.078747|0.115337|0.112872|0.092216|0.093443|0.143504|0.116761|0.108527|0.068037|0.076771|0.065886|0.053495|0.050633|0.056843|0.072374|0.500000| |2.493197|3.107641|23.875019|4.885609|4.953118|12.572810|5.864700|7.702866|6.730238|4.450456|0.106817|3.938104|4.367307|3.477347|2.844100|0.080329|2.659799|3.021571|4.861184|2.402566|2.204180|1.932713|1.832038|1.939983|2.214014|8.235314|8.906524|17.571456|3.935232|3.376196|2.930223|2.854710|3.176783|3.764447|6.513740|0.066356|0.065243|0.064756|0.088073|0.092222|0.137618|0.155334|0.123241|0.113691|0.194428|0.100129|0.089870|0.065441|0.070506|0.063007|0.050421|0.046468|0.050708|0.063492|0.298721|0.500000| |2.029005|2.419236|18.362499|3.411382|3.592502|8.538465|4.763324|6.656479|6.581288|4.834362|0.110162|4.141247|4.483832|3.483932|2.819195|0.076747|2.739324|3.149820|5.085577|2.379757|2.128537|1.876961|1.814473|1.961507|2.253012|8.501965|8.963631|17.521081|4.825000|4.009903|3.569449|3.629314|4.213573|4.992436|8.613395|0.054413|0.053774|0.053432|0.068676|0.070795|0.096628|0.102837|0.093019|0.088260|0.203853|0.095397|0.094212|0.066616|0.074880|0.059578|0.048450|0.046037|0.051926|0.066342|0.299667|0.301965|0.500000| |1.613200|1.816102|14.821194|2.462738|2.952712|6.211534|4.505685|8.289036|5.461414|7.072669|0.228162|4.742984|3.714604|2.931903|2.816915|0.078490|3.212228|4.293589|8.597565|2.314125|2.077415|1.814040|1.735119|1.864717|2.153388|4.805630|4.012079|3.411321|8.911983|17.717675|8.934561|5.642799|5.001574|5.654733|8.338619|0.044529|0.041909|0.043881|0.049955|0.050915|0.065955|0.068279|0.083812|0.079550|0.166486|0.073440|0.076572|0.082730|0.085485|0.058974|0.047009|0.043949|0.049082|0.063141|0.080986|0.090073|0.100605|0.500000| |1.369820|1.519443|11.966445|1.939758|2.198655|4.487177|2.958337|5.232142|3.529240|4.098301|0.114862|3.274704|2.799772|2.346559|2.240763|0.060773|2.535727|3.089413|5.990502|1.929409|1.735486|1.557107|1.523869|1.649188|1.864828|3.746281|3.017681|2.786296|5.629887|8.928953|17.720578|8.937806|5.698380|4.956692|9.617321|0.037874|0.036100|0.037141|0.041913|0.042973|0.052526|0.054697|0.062112|0.058948|0.108383|0.059358|0.064103|0.066089|0.070973|0.048342|0.040432|0.039115|0.044344|0.055428|0.068823|0.072751|0.085757|0.215955|0.500000| |1.284436|1.425097|10.939691|1.779563|1.953199|4.011644|2.541052|4.317718|3.111385|3.527020|0.091140|3.065935|2.767049|2.375108|2.208020|0.058091|2.474531|2.866762|5.256112|1.938647|1.716797|1.557563|1.556356|1.715205|1.934028|3.784039|2.936670|2.791316|4.914940|5.617353|8.829342|17.743519|8.955741|5.634778|16.699553|0.035192|0.034214|0.034800|0.039821|0.040410|0.049245|0.050397|0.053814|0.052383|0.092365|0.059835|0.067589|0.063344|0.072324|0.046878|0.040109|0.040066|0.046887|0.058829|0.071442|0.070253|0.087916|0.123693|0.212730|0.500000| |1.620438|1.854618|14.368785|2.476321|2.751722|6.101606|3.933050|6.144118|5.575705|6.813201|0.140276|6.831493|6.582022|4.872517|3.939996|0.097893|4.324251|5.198525|7.994016|3.170450|2.620722|2.266902|2.246971|2.564446|3.111469|8.995867|6.166187|4.892373|8.825088|5.632995|4.960164|5.650150|9.004882|17.752612|16.877850|0.043419|0.042884|0.044115|0.053160|0.051957|0.071401|0.068588|0.071383|0.074484|0.140933|0.113489|0.143268|0.098457|0.128932|0.070571|0.056549|0.055848|0.068261|0.098468|0.125829|0.108921|0.144289|0.123679|0.107652|0.124844|0.500000| 1813.073849 -11124.398745 4282.388653 -217.001445 -5245.937689 3431.176461 -1814.761227 2.000931 3D789C0000000034 44DA25B51BBA4373 445B35CF33BFC0FD 41E738BE40000007 37A16C2614EA0809 437083A214A9BB3A