Version2.1 2021-01-26T01:35:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 16-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)C[C@H](C(=O)OC)NC(=O)N1CCc2c([nH+]c[nH]2)[C@H]1c3ccccc3OC(F)(F)F C36575470 RHF 6-31G(d) (6D,7F) CC(C)C[C@H](C(=O)OC)NC(=O)N1CCc2c([nH+]c[nH]2)[C@H]1c3ccccc3OC(F)(F)F C01[X(C21H26F3N4O4)] 168 C1 532 COC(=O)[C@H](NC(=O)N1CCc2c([C@H]1c1ccccc1OC(F)(F)F)[nH+]c[nH]2)CC(C)C COC(=O)[C@H](NC(=O)N1CCc2c([C@H]1c1ccccc1OC(F)(F)F)[nH+]c[nH]2)CC(C)C COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]c[nH+]c2[C@H]1c3ccccc3OC(F)(F)F InChIKey=DLLBMLUHZMUIQV-CRAIPNDOSA-O InChI=1S/C21H25F3N4O4/c1-12(2)10-15(19(29)31-3)27-20(30)28-9-8-14-17(26-11-25-14)18(28)13-6-4-5-7-16(13)32-21(22,23)24/h4-7,11-12,15,18H,8-10H2,1-3H3,(H,25,26)(H,27,30)/p+1/t15-,18-/m1/s1 InChI=1/C21H25F3N4O4/c1-12(2)10-15(19(29)31-3)27-20(30)28-9-8-14-17(26-11-25-14)18(28)13-6-4-5-7-16(13)32-21(22,23)24/h4-7,11-12,15,18H,8-10H2,1-3H3,(H,25,26)(H,27,30)/p+1/t15-,18-/m1/s1/fC21H26F3N4O4/h25-27H/q+1 CC(C)C[C@H](C(=O)OC)NC(=O)N1CCc2c([nH+]c[nH]2)[C@H]1c3ccccc3OC(F)(F)F C01[X(C21H26F3N4O4)] 168 C01 532 COC(=O)[C@H](NC(=O)N1CCc2c([C@H]1c1ccccc1OC(F)(F)F)[nH+]c[nH]2)CC(C)C COC(=O)[C@H](NC(=O)N1CCC2=C([C@H]1[C]1[CH][CH][CH][CH][C]1OC(F)(F)F)[NH][CH][NH]2)CC(C)C COC(=O)[C@@H](CC(C)C)NC(=O)N1CCC2=C(N[CH]N2)[C@H]1[C]3[CH][CH][CH][CH][C]3OC(F)(F)F InChIKey=KOOIGUNEBXELOO-CRAIPNDOSA-N InChI=1S/C21H26F3N4O4/c1-12(2)10-15(19(29)31-3)27-20(30)28-9-8-14-17(26-11-25-14)18(28)13-6-4-5-7-16(13)32-21(22,23)24/h4-7,11-12,15,18,25-26H,8-10H2,1-3H3,(H,27,30)/t15-,18-/m1/s1 InChI=1/C21H26F3N4O4/c1-12(2)10-15(19(29)31-3)27-20(30)28-9-8-14-17(26-11-25-14)18(28)13-6-4-5-7-16(13)32-21(22,23)24/h4-7,11-12,15,18,25-26H,8-10H2,1-3H3,(H,27,30)/t15-,18-/m1/s1/f/h27H 3584.7470896883 -1625.8075292 1-A 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87.5886 93.5566 116.6669 124.0070 151.9578 167.5114 184.4001 191.1276 191.8227 220.5688 246.2970 254.5180 256.8438 263.9047 286.6612 304.9884 323.8831 335.2780 346.6090 378.8949 388.3951 399.2047 417.9370 434.5402 447.9745 457.9205 488.5847 506.4866 517.4323 546.7974 555.4700 570.0045 597.4910 623.0882 646.0795 668.9954 680.1633 688.0697 693.8172 725.0260 730.4509 740.6560 746.2485 756.8918 767.3916 785.2137 829.4344 841.1745 861.1248 875.5928 890.5906 894.3653 905.8227 931.2312 938.4840 961.6825 998.0235 1006.4765 1014.6426 1020.7712 1023.2766 1030.0784 1038.1408 1044.7893 1049.3610 1057.5179 1085.3933 1090.4879 1129.1921 1133.1217 1145.4784 1147.8433 1186.5568 1207.9414 1219.7431 1222.1969 1244.8476 1248.4705 1257.6835 1267.9783 1294.4807 1296.2306 1302.1755 1306.4902 1308.8208 1333.4862 1334.4138 1334.9674 1351.0242 1361.2618 1367.4718 1379.8750 1391.6977 1396.3123 1412.1095 1414.0482 1430.1747 1438.0711 1447.6481 1472.2371 1487.4954 1489.6186 1505.4679 1514.1500 1523.0949 1537.7980 1552.4415 1559.9849 1567.2770 1577.0493 1622.5373 1626.6644 1627.7451 1635.5115 1637.9130 1641.5934 1642.5279 1645.2760 1645.6412 1649.5908 1651.1258 1655.0250 1660.7657 1671.0197 1701.9083 1708.6343 1787.6387 1810.5150 1860.3473 1926.2103 1992.3096 3193.6112 3200.0863 3206.1685 3224.0790 3225.6468 3243.9119 3256.0789 3262.4737 3263.7752 3265.8546 3273.9712 3280.6812 3286.1363 3314.9852 3332.2089 3349.5168 3356.3104 3367.7851 3370.5775 3386.3906 3401.1043 3423.3364 3488.4019 3849.6033 3858.5846 3859.0559 5.3759 6.1542 6.5171 4.7442 14.3210 3.8223 6.1884 3.6818 4.7267 6.7963 5.3752 4.4065 5.0200 5.4425 4.0781 1.7278 1.7648 4.5006 4.3722 5.5347 3.9065 1.2968 2.6116 2.1514 1.9874 3.7190 2.2638 3.9578 4.9150 3.8233 3.5640 5.7876 7.1708 4.5773 2.6628 2.7400 4.6176 3.0252 3.6592 8.2464 3.5069 5.4241 3.6303 4.0042 1.6334 6.0474 3.2795 9.6901 8.0661 5.9812 4.2229 1.2905 3.2274 5.5113 4.7651 3.5240 1.1393 3.8765 3.8070 1.5809 5.8500 3.0259 4.0895 4.1261 2.8712 3.8118 2.9397 1.7976 1.9896 1.1921 1.4830 2.3643 8.5435 2.1778 5.1179 1.4881 2.7341 1.3832 3.1345 2.9222 1.3652 2.9039 2.2431 2.7255 2.8765 2.6986 2.2454 2.1509 1.7783 1.9728 2.1419 1.9552 1.2691 1.7011 1.8432 2.5417 1.6301 1.6680 1.5137 2.0963 2.0377 1.5597 3.0568 1.6894 8.6784 3.8341 2.2239 2.1247 1.3276 1.5327 7.4113 1.5186 1.4010 1.5103 1.2986 1.4534 1.5231 1.5006 1.3160 1.7385 1.2453 1.9877 1.2562 1.0899 1.2113 1.1044 1.0470 1.0612 1.1025 1.8288 1.0719 2.6898 1.2189 1.0465 2.6443 3.5763 1.9994 5.9224 5.9095 5.6179 10.8730 10.9663 1.0407 1.0507 1.0498 1.0606 1.0875 1.1020 1.1003 1.0293 1.1023 1.1016 1.1000 1.1013 1.0731 1.0864 1.0855 1.1097 1.1010 1.0888 1.1096 1.0919 1.0968 1.0957 1.1054 1.0826 1.0831 1.0816 0.0004 0.0009 0.0013 0.0044 0.0142 0.0049 0.0119 0.0081 0.0115 0.0212 0.0224 0.0199 0.0259 0.0436 0.0369 0.0235 0.0292 0.0902 0.0941 0.1200 0.1120 0.0464 0.0997 0.0836 0.0816 0.1801 0.1241 0.2446 0.3255 0.2706 0.3015 0.5144 0.6733 0.4711 0.2962 0.3240 0.5705 0.4255 0.5531 1.3008 0.6178 0.9860 0.6949 0.8422 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36.4490 33.5180 3.3612 44.7157 89.8572 47.8718 21.3509 6.7839 10.1384 20.4186 11.8734 12.4937 16.1467 8.7282 11.1898 0.2202 29.6317 296.1950 131.1182 39.6758 0.3106 0.2021 0.5622 0.6513 0.1378 0.5246 1.7938 0.3919 1.9981 1.9856 0.8666 1.9930 0.4681 3.6064 0.5331 0.6081 0.2567 0.5581 2.3868 0.9792 1.0082 0.1113 0.5473 0.6735 0.4002 0.3817 0.9460 1.8951 2.5961 0.7134 0.3479 0.7789 3.6333 0.9957 0.6602 1.2342 0.3738 0.8953 1.0391 0.7874 0.7297 0.4434 2.9787 1.8649 1.1815 2.0009 1.7069 1.1783 2.3971 1.5837 0.4186 0.2231 2.0285 3.4403 4.8049 0.8980 0.3516 1.3247 1.0024 5.2335 0.7466 8.2680 1.5411 15.4238 6.4684 1.5004 1.8481 0.6912 1.8227 0.7519 1.9997 7.9225 2.2082 6.6210 7.4588 6.9609 6.3858 0.3678 2.4224 10.1373 0.2381 2.5320 13.5541 3.0833 4.2115 8.3834 4.0525 8.1831 3.9039 27.4864 6.8460 4.8084 4.7715 6.0076 2.9547 3.7722 2.7583 2.2897 5.6680 5.0204 6.9069 11.3888 11.1777 3.2252 0.5777 1.4418 2.1416 4.0708 1.4773 1.5221 1.3868 12.0190 7.0667 2.2873 8.5311 10.1679 1.1607 7.6791 1.2152 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 15.99491 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 14.00307 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 18.99840 18.99840 18.99840 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 9745.0480 18030.8334 24728.9259 0.99997 -0.00248 -0.00690 0.00253 0.99997 0.00663 0.00688 -0.00665 0.99995 1 0.00889 0.00480 0.00350 0.18520 0.10009 0.07298 15.23 22.25 26.80 56.94 58.95 67.02 82.29 88.11 92.35 104.79 120.89 126.02 134.61 167.86 178.42 218.63 241.01 265.31 274.99 275.99 317.35 354.37 366.19 369.54 379.70 412.44 438.81 466.00 482.39 498.69 545.15 558.81 574.37 601.32 625.21 644.54 658.85 702.96 728.72 744.47 786.72 799.20 820.11 859.66 896.48 929.56 962.54 978.60 989.98 998.25 1043.15 1050.96 1065.64 1073.69 1089.00 1104.11 1129.75 1193.37 1210.26 1238.97 1259.78 1281.36 1286.79 1303.28 1339.83 1350.27 1383.65 1435.93 1448.10 1459.84 1468.66 1472.27 1482.05 1493.65 1503.22 1509.80 1521.53 1561.64 1568.97 1624.66 1630.31 1648.09 1651.49 1707.19 1737.96 1754.94 1758.47 1791.06 1796.27 1809.53 1824.34 1862.47 1864.99 1873.54 1879.75 1883.10 1918.59 1919.92 1920.72 1943.82 1958.55 1967.49 1985.33 2002.34 2008.98 2031.71 2034.50 2057.70 2069.06 2082.84 2118.22 2140.17 2143.23 2166.03 2178.52 2191.39 2212.55 2233.62 2244.47 2254.96 2269.02 2334.47 2340.41 2341.96 2353.14 2356.59 2361.89 2363.23 2367.19 2367.71 2373.39 2375.60 2381.21 2389.47 2404.22 2448.67 2458.34 2572.01 2604.93 2676.62 2771.39 2866.49 4594.89 4604.21 4612.96 4638.73 4640.99 4667.27 4684.77 4693.97 4695.84 4698.84 4710.51 4720.17 4728.02 4769.52 4794.31 4819.21 4828.98 4845.49 4849.51 4872.26 4893.43 4925.42 5019.03 5538.72 5551.64 5552.32 0.506770 0.535463 0.536407 0.442446 -1625.300759 -1625.272066 -1625.271122 -1625.365083 3.151467D-04 MUNgauss RevisionA2.0 retrievium 26-Jan-2021 DUDE CC(C)C[C@H](C(=O)OC)NC(=O)N1CCc2c([nH+]c[nH]2)[C@H]1c3ccccc3OC(F)(F)F C36575470 RHF 6-31G(d) (6D,10F) C1 455.190615 |X|Y|Z| 95.774715 66.511109 31.569918 58.587662 15 6 7 12 3 |36.858105| |12.429276|36.858105| |7.564286|12.434614|36.858105| |7.624353|12.389416|7.458671|36.858105| |4.834530|7.210992|6.038007|12.346110|36.858105| |4.461663|6.644042|6.775404|8.788301|17.648744|0.500000| |4.160308|5.890717|4.894885|7.479085|12.533939|0.249051|36.858105| |3.520584|4.516204|3.779408|5.671468|7.966685|0.168867|15.981601|73.516695| |4.168184|6.053230|5.388671|6.161835|8.091482|0.210348|14.538727|15.297443|73.516695| |3.406768|4.424772|4.016812|4.351748|5.162987|0.135644|8.142654|12.749145|23.760534|36.858105| |3.851028|4.908075|4.290394|7.746437|13.076523|0.254604|8.001001|12.839716|9.566530|4.050593|53.358707| |3.405330|4.118600|3.897097|5.855049|7.809698|0.205524|5.293102|8.639948|7.321795|3.253294|19.256190|36.858105| |3.487454|4.213714|4.291216|5.615383|6.860928|0.211804|4.604373|7.169909|6.880604|3.044452|11.526223|15.838177|73.516695| |2.802799|3.213810|3.032197|4.258131|5.173025|0.135013|4.137741|7.345056|5.892470|2.782475|11.191316|13.558383|14.868034|53.358707| |2.712357|2.999117|2.720070|3.953482|4.448953|0.109790|3.789594|7.092376|5.382806|2.616379|9.087700|7.692569|9.740087|17.757008|36.858105| |2.819852|2.974077|2.676361|3.862316|3.917837|0.097461|3.268424|5.920418|4.804521|2.340183|7.153109|6.015036|8.768068|10.409327|12.330718|36.858105| |2.601243|2.727929|2.564957|3.402674|3.456952|0.090792|2.850984|5.018206|4.331946|2.111912|5.981577|5.541005|9.073008|9.527324|7.792912|12.727346|36.858105| |2.453230|2.637522|2.565145|3.242703|3.451351|0.094255|2.835988|4.935781|4.349466|2.114474|5.964139|6.005703|10.395845|10.906649|6.923657|7.570183|14.220974|36.858105| |2.244607|2.363971|2.349802|2.788105|2.885842|0.080515|2.412541|4.160378|3.810614|1.873755|4.662376|4.407678|8.261180|7.001459|4.629171|5.234774|8.718795|13.776887|53.358707| |2.100413|2.223814|2.253632|2.571691|2.691877|0.076597|2.274996|3.905102|3.643525|1.800778|4.250741|3.977001|7.676489|6.132032|3.925198|4.175035|6.047003|8.945478|25.945493|0.500000| |2.239500|2.292597|2.247821|2.675416|2.664304|0.073130|2.245978|3.884933|3.567028|1.765168|4.213670|3.776763|6.964827|5.771665|4.162768|5.204324|8.645415|8.660478|19.739469|0.257651|36.858105| |2.432449|2.470593|2.351315|2.953731|2.892023|0.077146|2.427492|4.238716|3.792606|1.871072|4.676129|4.111823|7.212019|6.379641|5.014962|7.332319|13.745403|8.727928|12.176234|0.171256|14.487624|53.358707| |2.414133|2.396115|2.253486|2.826906|2.698098|0.071278|2.296509|4.026000|3.610677|1.794869|4.265295|3.583405|6.243438|5.382756|4.386389|6.493894|8.924633|6.049485|8.396007|0.131884|9.282567|25.957849|0.500000| |2.456150|2.745743|2.695762|3.418011|3.934704|0.109330|3.238960|5.656916|4.889083|2.359397|7.160751|7.906242|12.733097|17.761489|7.763018|6.236885|7.554104|12.644902|9.962301|0.180511|5.198097|7.113407|0.115787|36.858105| |2.509773|2.844445|2.887268|3.480445|4.057846|0.118705|3.275009|5.545207|5.043963|2.406537|6.987818|7.937155|15.457558|12.676297|5.718379|4.911962|5.878496|9.032379|9.175197|0.183592|4.768746|6.179943|0.102864|17.683462|0.500000| |2.078300|2.304591|2.269160|2.769382|3.193537|0.088800|2.811814|5.056176|4.323298|2.155701|5.539035|5.227792|8.427579|10.460334|6.075219|4.769305|5.385795|7.482935|7.708786|0.152593|4.252594|5.666445|0.096353|12.494537|0.248442|36.858105| |1.872863|2.029990|1.983287|2.397407|2.666854|0.073155|2.400521|4.368541|3.738398|1.898822|4.482953|3.970671|6.489431|7.413776|5.191958|4.459019|5.115549|6.477436|7.418039|0.145876|4.316447|5.716933|0.098489|7.411321|0.159512|13.737635|36.858105| |1.664136|1.798587|1.764573|2.081155|2.312961|0.063718|2.143976|3.935285|3.390410|1.754848|3.768260|3.187055|5.267438|5.539934|3.961983|3.443068|3.751208|4.407924|5.456030|0.111691|3.372889|4.448506|0.079904|4.958981|0.118340|7.879065|13.724988|36.858105| |1.613236|1.762997|1.744842|2.021731|2.288269|0.063763|2.157696|3.966678|3.440743|1.795482|3.674569|3.059794|5.082424|5.130623|3.522802|2.981392|3.154271|3.694029|4.576886|0.095651|2.839398|3.746741|0.068125|4.413036|0.111555|6.819402|7.952758|13.797699|36.858105| |1.736329|1.931176|1.927706|2.226310|2.591610|0.073248|2.438647|4.454560|3.876575|2.006467|4.184319|3.528754|5.857172|5.864129|3.753388|3.060214|3.205689|3.844659|4.633393|0.097337|2.814966|3.723209|0.067246|5.017869|0.131995|7.861183|6.885642|7.941904|13.728547|36.858105| |1.975918|2.224084|2.220028|2.624662|3.117720|0.088545|2.835312|5.113319|4.417811|2.228201|5.232507|4.689698|7.676810|8.248979|4.759191|3.714977|3.943206|4.998833|5.661335|0.117347|3.297808|4.380261|0.077315|7.596541|0.197557|13.677481|8.011959|6.920844|7.986436|13.826885|36.858105| |2.140849|2.472649|2.513217|2.918748|3.620194|0.106644|3.264762|5.747015|5.102048|2.529889|5.979622|5.408521|9.087187|8.434610|4.473573|3.499792|3.636937|4.521137|5.154919|0.107230|3.045060|4.063249|0.072381|6.949528|0.213440|8.071244|5.261550|4.610735|5.205328|7.926502|13.799884|73.516695| |2.157455|2.533950|2.554650|2.974831|3.830317|0.112202|3.660698|6.576902|5.708834|2.871159|6.184192|5.038327|8.106557|7.322180|4.144789|3.193339|3.142725|3.651854|4.189724|0.085479|2.591071|3.545232|0.064646|5.134251|0.149655|5.592079|4.139293|3.821172|4.388015|6.288126|8.055057|25.237985|36.858105| |2.208533|2.586261|2.516145|3.104742|4.028717|0.111179|3.994005|7.626402|5.969151|3.036314|6.866453|5.229804|7.720748|8.053529|4.860096|3.516077|3.282112|3.660984|4.075573|0.080766|2.574093|3.629299|0.066728|5.050626|0.134480|5.501944|4.227060|3.886814|4.330799|5.751100|7.061124|15.361003|14.492019|97.533100| |2.376989|2.876315|2.967626|3.348941|4.517912|0.140344|4.303832|7.348292|6.834106|3.338619|6.836976|5.384022|9.052911|6.826083|3.815652|3.042582|2.980755|3.405833|3.961700|0.080770|2.483099|3.403208|0.062506|4.595565|0.141686|4.460661|3.410652|3.102837|3.413730|4.476469|5.554752|15.839338|14.601164|20.124647|97.533100| |1.899389|2.197956|2.231029|2.499027|3.098258|0.090573|3.069443|5.566762|4.972276|2.597576|4.755302|3.738980|6.221851|5.402612|3.302498|2.656073|2.632690|3.009393|3.595082|0.074441|2.261613|3.064116|0.056572|3.940290|0.113891|4.496872|3.626420|3.587486|4.371790|6.291001|6.471120|15.382517|14.490444|20.213477|20.159453|97.533100| |17.560426|8.778321|6.910510|5.514461|3.981837|0.105919|3.612198|5.505941|6.744349|3.227198|4.386348|2.900145|5.323464|3.317763|2.354433|2.430802|2.275854|2.170240|2.743875|0.052962|2.012537|2.934408|0.059584|2.177317|0.062117|1.874852|1.701068|1.527691|1.488993|1.599156|1.799810|3.465066|1.971371|4.507223|4.889958|3.960103|0.500000| |17.539972|8.740221|5.483244|6.978267|4.535408|0.111108|4.075782|6.386570|7.032837|3.337714|5.136366|3.272454|5.748790|3.759360|2.760732|2.897047|2.602735|2.405979|2.974125|0.056348|2.201116|3.308361|0.067825|2.392662|0.066648|2.041247|1.857690|1.653710|1.595965|1.705105|1.930483|3.671716|2.089379|4.893011|5.102890|4.148994|0.301912|0.500000| |17.521392|8.758546|6.849025|6.872723|4.493031|0.118091|3.687778|5.636655|6.395003|2.956458|5.125730|3.487899|6.528401|3.916465|2.771987|2.966768|2.796267|2.621674|3.303330|0.062825|2.448900|3.618284|0.073551|2.565217|0.073104|2.140983|1.933622|1.704890|1.639476|1.757379|2.009383|3.846072|2.140101|4.887687|5.264161|4.226747|0.301859|0.301161|0.500000| |8.946165|17.557066|8.924519|8.860606|6.561015|0.164736|6.467148|8.751749|13.150576|5.455376|6.118499|3.670107|6.468014|4.015188|2.790713|2.709394|2.458660|2.384157|2.907543|0.056107|2.067056|3.026499|0.060080|2.513635|0.071772|2.161586|1.914404|1.716901|1.696789|1.859299|2.115953|4.182833|2.463030|5.713460|6.302050|4.865263|0.214644|0.212947|0.173795|0.500000| |6.745093|8.762093|17.523895|6.846108|5.564021|0.177422|4.247653|6.042756|7.784277|3.369503|5.799384|4.116252|8.529322|4.326489|2.809204|2.819190|2.772931|2.792139|3.522310|0.069013|2.475886|3.492639|0.067926|2.887633|0.087198|2.384508|2.078438|1.831950|1.798316|1.983138|2.303068|4.620802|2.574887|5.634432|6.669864|5.029770|0.166383|0.138554|0.199571|0.173642|0.500000| |5.484592|8.720541|17.576079|6.635843|6.551308|0.229417|5.489682|7.265102|11.464624|4.586623|6.114033|4.055044|7.942762|4.252941|2.739467|2.612525|2.508353|2.559980|3.170624|0.062624|2.188855|3.089132|0.059799|2.772085|0.083511|2.355171|2.033383|1.817758|1.819338|2.036858|2.350366|4.838319|2.816235|6.160219|7.600413|5.522037|0.141974|0.122338|0.138975|0.214809|0.301152|0.500000| |7.035244|8.801319|17.556749|5.457353|4.561252|0.137859|4.027834|5.770228|8.146729|3.682774|4.712870|3.189619|6.168554|3.519930|2.361049|2.342635|2.259331|2.253921|2.857930|0.056310|2.028099|2.869465|0.056649|2.343311|0.069346|2.013024|1.784317|1.605065|1.590374|1.743987|1.978112|3.939449|2.255418|4.991141|5.825358|4.519970|0.211802|0.142364|0.173837|0.211722|0.301674|0.303031|0.500000| |7.020070|8.881058|6.818100|17.540973|9.008644|0.212438|5.540528|8.062350|8.362204|3.532201|10.011581|6.483244|11.862140|6.277860|4.207716|4.329501|3.924330|3.706030|4.340116|0.080728|3.077441|4.650241|0.090210|3.777704|0.107657|2.949341|2.547655|2.175778|2.086189|2.285849|2.726413|5.338389|2.954878|6.827368|7.371736|5.553753|0.142183|0.173733|0.208453|0.174324|0.204717|0.163204|0.140958|0.500000| |7.088191|8.818481|5.464830|17.519027|8.905391|0.174102|6.960189|10.553075|9.792898|4.196453|9.665836|5.218601|8.341560|5.579255|4.089089|4.058068|3.400379|3.129215|3.638256|0.067776|2.609213|4.013854|0.079768|3.242040|0.088690|2.674654|2.359234|2.055358|1.982366|2.154697|2.512026|4.844719|2.791422|6.744812|6.861129|5.327352|0.143609|0.214750|0.172916|0.212812|0.140231|0.137297|0.122983|0.303261|0.500000| |2.921788|3.684574|3.443833|3.793702|4.698652|0.125605|7.202879|12.715868|16.421982|17.650163|5.371868|3.217672|5.288712|3.831080|2.634045|2.305750|2.085442|2.109222|2.535738|0.049942|1.740713|2.500395|0.048704|2.391889|0.067606|2.226669|1.955659|1.823102|1.887663|2.126837|2.343859|4.761766|3.130583|7.521319|8.207719|6.452374|0.076665|0.079835|0.072390|0.118751|0.083209|0.109611|0.087556|0.088522|0.102116|0.500000| |3.449374|4.296557|3.687013|4.240802|4.711726|0.117798|7.207108|12.687957|16.408549|17.647496|5.215113|3.055323|5.015585|3.623170|2.579996|2.333109|2.075127|2.044409|2.464925|0.048038|1.724260|2.511508|0.049591|2.247145|0.062739|2.057850|1.836026|1.698583|1.724094|1.902111|2.100223|4.151083|2.616303|6.343594|6.628783|5.342791|0.090724|0.097264|0.082063|0.150219|0.086723|0.110905|0.095143|0.095133|0.120169|0.299797|0.500000| |3.305337|4.219876|4.040235|3.882428|4.375730|0.120914|5.958944|9.163133|16.899308|17.683139|4.699958|2.890431|4.952855|3.378817|2.321973|2.113421|1.940428|1.951604|2.388897|0.047171|1.658320|2.371683|0.046540|2.156859|0.061722|1.976928|1.751268|1.626529|1.666751|1.856557|2.046553|4.127477|2.601540|6.035550|6.820859|5.381796|0.089866|0.088238|0.079587|0.145391|0.092857|0.129639|0.107112|0.089695|0.101966|0.298451|0.298388|0.500000| |3.407075|4.206065|3.649696|6.072630|9.147247|0.188973|8.036964|15.737823|9.279107|4.160764|26.021965|9.390893|10.909163|10.440218|7.036377|5.080363|4.080745|4.024220|4.290509|0.080087|2.865278|4.348426|0.081730|4.880295|0.126886|4.050042|3.327139|2.841205|2.791855|3.173522|3.899471|7.747984|4.728037|12.886497|11.270391|8.222204|0.080843|0.095311|0.091055|0.112614|0.098568|0.106680|0.084695|0.153829|0.170907|0.116271|0.111429|0.096017|0.500000| |2.856097|3.190775|2.805830|4.286327|4.892513|0.114733|4.348159|8.554548|5.957276|2.905451|10.227539|7.046951|8.794667|12.358549|17.690253|8.821127|5.646599|5.028672|5.033332|0.089807|3.429299|5.546744|0.103913|5.645166|0.128039|4.764827|4.160012|3.404053|3.140339|3.368771|4.105358|7.154340|3.988245|10.994982|8.464811|7.231616|0.068507|0.082148|0.079299|0.083972|0.078636|0.078615|0.067575|0.120805|0.128510|0.081257|0.080744|0.070272|0.251563|0.500000| |2.352133|2.573584|2.373071|3.245767|3.645378|0.092553|3.260987|6.203105|4.761323|2.378085|6.873565|5.704469|7.878071|12.563748|17.617265|8.800865|6.760304|6.396989|6.078496|0.107097|3.985066|6.331275|0.113495|7.250509|0.145303|6.916726|6.401441|4.805785|4.120595|4.236920|5.236010|8.042240|4.149282|11.158072|8.163367|7.630770|0.057733|0.066523|0.066546|0.067518|0.067808|0.066831|0.058152|0.094470|0.092977|0.067449|0.065201|0.059028|0.152397|0.304901|0.500000| |3.312866|3.446354|3.007371|4.633346|4.405874|0.106547|3.560665|6.323538|5.200695|2.493140|7.835245|6.180089|9.164732|8.953337|8.740852|17.547467|8.949085|6.040319|6.201552|0.103735|4.661574|8.707323|0.168763|5.199031|0.123390|3.954603|3.621670|2.909444|2.597219|2.704884|3.251454|5.684129|2.985114|7.321555|6.627245|5.604929|0.077480|0.095595|0.097826|0.085586|0.088216|0.079885|0.072430|0.148933|0.138844|0.067031|0.069496|0.062476|0.147841|0.218462|0.173458|0.500000| |2.559206|2.643859|2.370412|3.315837|3.317383|0.082711|2.898195|5.357479|4.326960|2.157350|5.755289|4.546580|6.852334|7.616970|8.772585|17.554604|8.880786|5.808981|6.081952|0.101467|4.667864|8.935438|0.178153|4.872965|0.109632|4.150671|4.159554|3.331425|2.849567|2.838853|3.308918|5.429105|2.832183|7.083020|6.010047|5.446308|0.062085|0.074184|0.074222|0.068039|0.068592|0.064145|0.058617|0.100310|0.098957|0.059219|0.060455|0.054286|0.118358|0.204951|0.219803|0.301744|0.500000| |2.081377|2.102625|2.079947|2.393634|2.358054|0.065165|2.015685|3.479868|3.249196|1.621686|3.625194|3.156064|5.892260|4.675831|3.379325|4.093717|5.883088|5.890005|12.203124|0.210868|17.821697|12.197433|0.211133|4.090341|0.108263|3.532773|3.646123|2.994696|2.556598|2.511910|2.860530|4.733727|2.294686|5.093467|4.980018|4.590740|0.052567|0.056725|0.063411|0.052857|0.063680|0.056057|0.052802|0.075833|0.064835|0.044353|0.044059|0.042648|0.068851|0.080102|0.090970|0.105564|0.106158|0.500000| 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