Version2.0 2020-07-31T16:49:53Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 09-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1CCCC[NH+]1CCCCNC(=O)NNC(=O)[C@@H](C)Oc2ccc(cc2)F C46751304 RHF 6-31G(d) (6D,7F) C[C@@H]1CCCC[NH+]1CCCCNC(=O)NNC(=O)[C@@H](C)Oc2ccc(cc2)F C01[X(C20H32F1N4O3)] 174 C1 484 O=C(NNC(=O)[C@H](Oc1ccc(cc1)F)C)NCCCC[NH+]1CCCC[C@H]1C O=C(NNC(=O)[C@H](Oc1ccc(cc1)F)C)NCCCC[NH+]1CCCC[C@H]1C C[C@@H]1CCCC[NH+]1CCCCNC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2 InChIKey=HXVPRMQFZBMMHA-HZPDHXFCSA-O InChI=1S/C20H31FN4O3/c1-15-7-3-5-13-25(15)14-6-4-12-22-20(27)24-23-19(26)16(2)28-18-10-8-17(21)9-11-18/h8-11,15-16H,3-7,12-14H2,1-2H3,(H,23,26)(H2,22,24,27)/p+1/t15-,16-/m1/s1 InChI=1/C20H31FN4O3/c1-15-7-3-5-13-25(15)14-6-4-12-22-20(27)24-23-19(26)16(2)28-18-10-8-17(21)9-11-18/h8-11,15-16H,3-7,12-14H2,1-2H3,(H,23,26)(H2,22,24,27)/p+1/t15-,16-/m1/s1/fC20H32FN4O3/h22-25H/q+1 C[C@@H]1CCCC[NH+]1CCCCNC(=O)NNC(=O)[C@@H](C)Oc2ccc(cc2)F C01[X(C20H32F1N4O3)] 174 C01 484 O=C(NNC(=O)[C@H](Oc1ccc(cc1)F)C)NCCCC[NH+]1CCCC[C@H]1C O=C(NNC(=O)[C@H](O[C]1[CH][CH][C]([CH][CH]1)F)C)NCCCC[NH]1CCCC[C@H]1C C[C@@H]1CCCC[NH]1CCCCNC(=O)NNC(=O)[C@@H](C)O[C]2[CH][CH][C](F)[CH][CH]2 InChIKey=OLZCXSZMTPEHGK-HZPDHXFCSA-N InChI=1S/C20H32FN4O3/c1-15-7-3-5-13-25(15)14-6-4-12-22-20(27)24-23-19(26)16(2)28-18-10-8-17(21)9-11-18/h8-11,15-16,25H,3-7,12-14H2,1-2H3,(H,23,26)(H2,22,24,27)/t15-,16-/m1/s1 InChI=1/C20H32FN4O3/c1-15-7-3-5-13-25(15)14-6-4-12-22-20(27)24-23-19(26)16(2)28-18-10-8-17(21)9-11-18/h8-11,15-16,25H,3-7,12-14H2,1-2H3,(H,23,26)(H2,22,24,27)/t15-,16-/m1/s1/f/h22-24H 2522.5158558538 -1317.6379417 1-A 26738.1625 106 378 484 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.35873 -20.66963 -20.61591 -20.59352 -15.83904 -15.69959 -15.68894 -15.66292 -11.45026 -11.43821 -11.43308 -11.43254 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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.04416 0.06725 0.08273 0.09195 0.09934 0.10306 0.11201 0.11735 0.13114 0.14088 0.14747 0.15010 0.15810 0.16201 0.16319 0.17010 0.17486 0.17819 0.18194 0.18656 0.19389 0.19841 0.20002 0.20116 0.21023 0.21433 0.21670 0.22238 0.22719 0.23390 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2.41443 2.42754 2.43717 2.44452 2.45543 2.47516 2.48619 2.49725 2.50312 2.52267 2.53256 2.53553 2.55067 2.56559 2.56925 2.57709 2.58329 2.58917 2.60958 2.61720 2.62229 2.63552 2.64295 2.64852 2.68033 2.68193 2.68732 2.72282 2.73865 2.76818 2.77754 2.78307 2.79584 2.80996 2.83345 2.83656 2.84100 2.84592 2.86402 2.86668 2.88572 2.88670 2.91310 2.91949 2.93831 2.95329 2.95410 2.95814 2.98036 2.98970 3.00124 3.00771 3.02198 3.03949 3.06247 3.07092 3.09112 3.13438 3.15147 3.20542 3.27257 3.29073 3.34913 3.40465 3.43614 3.44948 3.48720 3.52842 3.59800 3.78710 4.27720 4.29528 4.35571 4.37469 4.45278 4.45468 4.47358 4.47654 4.49619 4.49963 4.52209 4.54129 4.57090 4.59079 4.63428 4.67894 4.69803 4.72595 4.74517 4.77278 4.82859 4.83573 4.86019 4.87963 4.90389 5.06953 5.12540 5.80463 11.41672 24.2694 -5.7862 -0.7856 24.9620 |XX|YY|ZZ|XY|XZ|YZ| 49.3395 -164.4440 -153.9881 -37.0431 -3.5160 -2.6274 |XX|YY|ZZ|XY|XZ|YZ| 139.0371 -74.7465 -64.2906 -37.0431 -3.5160 -2.6274 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0.1534 0.2747 0.2432 0.7410 0.2233 0.5083 0.2694 0.2976 0.1825 0.5276 0.0655 0.2417 0.2777 0.1449 0.5386 0.5299 0.5654 0.4584 0.2595 0.6952 0.6824 0.5334 0.7386 0.7468 0.7478 0.6824 0.6972 0.3103 0.3170 0.3184 0.6983 0.3035 0.4538 0.1662 0.6594 0.6900 0.3390 0.6785 0.4253 0.6539 0.1379 0.4979 0.7143 0.6053 0.7201 0.3607 0.7155 0.1154 0.6135 0.7394 0.1727 0.7496 0.6697 0.7330 0.7236 0.7303 0.7441 0.6257 0.5731 0.6100 0.7447 0.7025 0.5853 0.7008 0.2436 0.4412 0.4893 0.7088 0.5655 0.7497 0.7016 0.7494 0.6487 0.4582 0.7459 0.6666 0.7427 0.7381 0.6143 0.7402 0.7139 0.7150 0.7436 0.6927 0.7351 0.7423 0.7421 0.6973 0.7480 0.5424 0.2311 0.3809 0.2377 0.1707 0.2099 0.1706 0.0538 0.1059 0.0133 0.0752 0.3587 0.6155 0.7086 0.7264 0.3847 0.7126 0.1944 0.1592 0.7399 0.6205 0.5517 0.1808 0.6953 0.7114 0.7491 0.5712 0.6916 0.6167 0.1938 0.1308 0.2427 0.1762 0.2026 0.2295 0.8567 0.8558 0.8552 0.8556 0.8566 0.8365 0.8056 0.8459 0.7781 0.8336 0.8269 0.7032 0.8332 0.4271 0.7157 0.8466 0.1380 0.3948 0.6998 0.2586 0.7774 0.6410 0.8466 0.3523 0.7497 0.4034 0.4075 0.8398 0.5987 0.8241 0.6405 0.8484 0.4742 0.7088 0.3594 0.8087 0.4694 0.8322 0.8412 0.5377 0.6428 0.1457 0.8142 0.7024 0.4229 0.8549 0.8049 0.8547 0.4252 0.8118 0.2660 0.4310 0.3912 0.8513 0.3650 0.6740 0.4244 0.4587 0.3087 0.6908 0.1229 0.3893 0.4346 0.2531 0.7001 0.6927 0.7224 0.6286 0.4121 0.8202 0.8112 0.6957 0.8497 0.8551 0.8557 0.8113 0.8216 0.4736 0.4814 0.4830 0.8224 0.4657 0.6243 0.2851 0.7947 0.8165 0.5063 0.8085 0.5968 0.7907 0.2424 0.6648 0.8333 0.7541 0.8373 0.5302 0.8342 0.2069 0.7604 0.8502 0.2945 0.8569 0.8022 0.8459 0.8396 0.8441 0.8533 0.7698 0.7287 0.7578 0.8537 0.8253 0.7384 0.8241 0.3917 0.6123 0.6571 0.8296 0.7225 0.8570 0.8246 0.8568 0.7869 0.6285 0.8545 0.8000 0.8523 0.8493 0.7611 0.8507 0.8331 0.8338 0.8529 0.8184 0.8473 0.8521 0.8519 0.8216 0.8559 0.7033 0.3754 0.5517 0.3842 0.2917 0.3469 0.2914 0.1020 0.1915 0.0263 0.1399 0.5280 0.7620 0.8295 0.8415 0.5556 0.8322 0.3256 0.2747 0.8505 0.7658 0.7111 0.3062 0.8203 0.8314 0.8566 0.7270 0.8177 0.7629 0.3247 0.2314 0.3905 0.2996 0.3369 0.3734 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 6 6 1 6 6 6 6 7 1 6 6 6 6 7 6 8 7 7 6 8 6 1 6 8 6 6 6 6 6 6 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 4670.5099 45043.7142 47715.3141 0.99995 -0.00961 -0.00044 0.00961 0.99995 -0.00174 0.00045 0.00174 1.00000 1 0.01854 0.00192 0.00182 0.38641 0.04007 0.03782 6.47 13.63 21.26 26.98 40.61 43.61 76.45 95.76 107.80 116.94 123.35 167.98 181.01 203.53 229.62 243.85 281.25 284.76 299.55 344.91 369.15 375.03 428.54 458.74 482.99 502.72 523.23 531.19 550.86 573.49 584.32 610.18 613.05 650.55 663.71 668.85 679.79 689.54 739.31 749.34 824.32 830.47 832.13 863.37 939.40 968.49 994.58 1009.87 1076.87 1114.99 1141.36 1153.26 1165.59 1192.71 1224.87 1244.21 1269.42 1286.01 1301.30 1321.72 1332.10 1335.28 1365.79 1392.93 1420.44 1428.04 1440.76 1487.10 1510.70 1519.25 1524.31 1538.65 1559.29 1567.35 1590.79 1596.26 1606.93 1625.29 1659.20 1661.39 1679.44 1705.21 1721.82 1753.64 1758.44 1781.98 1800.81 1824.67 1834.40 1848.77 1854.98 1878.81 1902.24 1941.84 1973.44 1978.53 1993.29 2015.83 2034.08 2039.03 2040.80 2076.73 2082.50 2099.01 2118.14 2122.23 2128.14 2134.41 2147.39 2166.87 2173.36 2188.21 2201.76 2215.50 2224.60 2249.76 2251.23 2274.04 2274.12 2275.64 2277.88 2316.93 2341.83 2346.14 2350.44 2353.15 2354.29 2358.30 2362.97 2363.59 2364.54 2366.38 2378.75 2385.25 2406.64 2421.01 2443.45 2468.76 2590.60 2632.68 2808.48 2862.71 4601.46 4614.94 4626.03 4631.73 4633.86 4636.48 4649.30 4656.91 4677.83 4692.64 4706.80 4714.04 4714.36 4715.70 4722.74 4726.10 4732.73 4749.42 4753.25 4756.11 4773.28 4787.26 4804.47 4813.84 4876.43 4888.01 4902.70 4911.38 5297.32 5493.56 5600.09 5624.64 0.562230 0.589299 0.590243 0.497180 -1317.075711 -1317.048643 -1317.047699 -1317.140761 3.121315D-04 MUNgauss RevisionA2.0 retrievium 31-Jul-2020 DUDE C[C@@H]1CCCC[NH+]1CCCCNC(=O)NNC(=O)[C@@H](C)Oc2ccc(cc2)F C46751304 RHF 6-31G(d) (6D,10F) C1 395.245844 |X|Y|Z| 45.977535 26.855571 154.604521 57.579438 23 6 7 8 18 4 1 |36.858105| |12.492795|36.858105| |8.849548|17.622103|0.500000| |7.525620|12.439046|0.246018|36.858105| |4.879674|7.460246|0.190101|12.467263|36.858105| |4.355303|6.423260|0.161111|7.591725|12.477230|36.858105| |4.935054|7.599131|0.197869|6.555021|7.587920|12.519151|36.858105| |7.557181|12.481887|0.253459|7.683109|6.495405|7.637026|12.652580|53.358707| |7.013395|9.326226|0.182858|7.344129|6.049352|7.298056|9.373729|25.693975|0.500000| |6.393100|7.398979|0.186448|4.917213|4.333772|4.962506|7.617659|17.148598|0.261689|36.858105| |5.299162|6.030283|0.184489|4.157207|3.828864|4.165460|6.089368|10.120395|0.156772|12.496361|36.858105| |4.175847|4.232277|0.123958|3.183056|2.937974|3.163762|4.194690|6.675463|0.117083|7.613050|12.426423|36.858105| |3.430285|3.481271|0.106327|2.742063|2.585606|2.709442|3.419631|5.095159|0.090426|4.917871|7.507321|12.441111|36.858105| |2.935571|2.864213|0.084893|2.333188|2.188421|2.276401|2.762474|4.126827|0.076162|3.848502|5.003873|7.717276|13.176181|53.358707| |2.986552|2.787544|0.081728|2.279406|2.092772|2.133034|2.532756|3.880523|0.072643|3.531983|4.328400|6.068021|7.891245|19.152541|36.858105| |3.497012|3.135721|0.091834|2.515428|2.252566|2.257479|2.675436|4.232340|0.078967|3.834713|4.640191|6.115192|6.973252|11.534390|15.836434|73.516695| |2.500473|2.332163|0.067520|1.965840|1.819134|1.852206|2.149010|3.239380|0.061845|2.853692|3.314139|4.323504|5.206331|11.136270|13.785068|15.099056|53.358707| |2.173653|2.078246|0.060396|1.781818|1.679271|1.721011|1.983540|2.913041|0.055705|2.527038|2.932439|3.727781|4.607722|9.519817|7.972771|9.778168|18.858645|53.358707| |2.021692|1.951727|0.057348|1.692258|1.607243|1.632368|1.861616|2.696383|0.051356|2.283382|2.665880|3.229266|4.075311|7.529542|5.992295|8.189274|10.956846|18.966403|36.858105| |2.106638|2.029078|0.060281|1.756633|1.662720|1.668526|1.897064|2.753255|0.052086|2.305853|2.723422|3.216813|4.129030|7.187197|5.942559|8.657973|9.604150|11.543695|15.956052|73.516695| |1.754272|1.713685|0.050117|1.510870|1.452467|1.482040|1.671977|2.382396|0.045699|1.987870|2.277942|2.685802|3.264005|5.593363|4.142576|6.020950|6.953346|10.539877|12.497298|14.278831|36.858105| |1.739063|1.721215|0.050685|1.520557|1.474710|1.507945|1.703121|2.398501|0.045773|1.992721|2.307663|2.690926|3.328967|5.513760|3.871060|5.679145|6.012572|8.430198|9.123146|12.724598|17.578459|0.500000| |1.607382|1.560961|0.045529|1.392191|1.336336|1.351154|1.503768|2.143176|0.041339|1.757923|1.982210|2.273069|2.679311|4.382217|3.373920|5.190904|5.576655|7.262764|7.617773|11.608297|12.490005|0.245162|36.858105| |1.696141|1.656206|0.047918|1.463475|1.408402|1.450819|1.637731|2.333764|0.045124|1.959952|2.208700|2.633388|3.092682|5.335244|3.881541|5.622352|6.605584|10.069374|8.029078|9.696194|13.554985|0.257738|7.829030|73.516695| |1.539211|1.516696|0.043751|1.354604|1.315292|1.360994|1.525421|2.148135|0.041723|1.785654|1.988597|2.323961|2.667982|4.379099|3.101444|4.643176|4.958168|6.687051|5.205954|7.178696|7.866370|0.199296|6.058935|24.808242|36.858105| |1.473305|1.447837|0.041385|1.298851|1.260419|1.310373|1.463457|2.063789|0.040419|1.714899|1.875345|2.187244|2.430192|3.940618|2.808855|4.271559|4.463261|5.681532|4.072106|5.820159|5.234386|0.132178|4.459019|14.545879|13.706920|36.858105| |1.348307|1.333462|0.038032|1.207303|1.179422|1.229015|1.362496|1.904395|0.037438|1.566246|1.696682|1.943172|2.127437|3.337737|2.358450|3.664905|3.621843|4.390202|3.191629|4.783589|3.956663|0.105702|3.571155|9.387060|7.925850|13.810837|36.858105| |1.290490|1.285623|0.036840|1.169456|1.149731|1.196189|1.321080|1.830493|0.035878|1.493077|1.625168|1.836552|2.027059|3.120565|2.183951|3.418920|3.287087|3.953482|2.985554|4.583245|3.766456|0.105924|3.471328|8.230294|6.918985|8.009127|13.793675|36.858105| |1.331660|1.330702|0.038407|1.207681|1.189051|1.232415|1.363789|1.885213|0.036720|1.536077|1.693421|1.910493|2.152604|3.314037|2.305863|3.590579|3.458569|4.232024|3.339952|5.142763|4.436755|0.131425|4.063872|9.197980|7.938825|6.887986|7.932611|13.881268|36.858105| |1.452786|1.445381|0.041901|1.300192|1.272988|1.315306|1.466058|2.040942|0.039547|1.676887|1.872645|2.143161|2.470854|3.907242|2.725013|4.160230|4.174160|5.360403|4.403407|6.516356|6.550011|0.198002|5.560439|13.903529|13.768518|7.938212|6.859857|7.983230|13.704208|36.858105| |1.193979|1.193414|0.034107|1.093714|1.079876|1.124719|1.233710|1.700212|0.033448|1.375413|1.483767|1.654942|1.802011|2.720211|1.904846|3.026468|2.821167|3.294630|2.473263|3.894009|2.992482|0.084702|2.830017|6.221820|4.666720|5.308991|8.152866|14.336205|8.166131|5.294297|97.533100| |17.542959|8.767521|0.172987|6.704356|4.484922|4.172231|4.571922|9.416691|0.208241|5.933726|4.563541|3.794768|3.079627|3.688508|2.765886|5.673190|3.216060|2.805079|1.901825|3.482519|1.663881|0.045606|1.528634|2.890667|1.482602|1.432052|1.314770|1.253565|1.284853|1.394667|2.617658|0.500000| |17.614580|8.702554|0.214410|5.464798|4.028433|3.773508|4.490689|9.048556|0.164586|6.897935|6.174076|5.035055|4.053059|4.695396|3.575904|7.742646|3.959361|3.361338|2.271935|4.221164|1.937202|0.053078|1.762189|3.319160|1.675351|1.597061|1.448794|1.380653|1.427494|1.569977|2.855775|0.300006|0.500000| |17.594374|8.945834|0.209511|7.089330|4.607301|3.865601|4.115203|7.533290|0.145098|4.744882|4.282424|3.522795|3.059434|3.635814|2.760042|5.760275|3.198144|2.792189|1.934338|3.619532|1.683450|0.046337|1.560089|2.873175|1.467985|1.401593|1.285046|1.234051|1.276361|1.391394|2.573289|0.302705|0.303763|0.500000| |6.978370|8.860342|0.173928|17.498748|8.818951|6.768419|5.698652|9.391114|0.215650|4.610801|3.718468|2.963609|2.525313|2.984852|2.157551|4.221770|2.561168|2.320195|1.608992|2.947706|1.442404|0.040131|1.332502|2.502356|1.306301|1.261174|1.174794|1.134176|1.164859|1.249713|2.392205|0.203293|0.140489|0.179505|0.500000| |6.982551|8.967268|0.214468|17.582677|8.825124|5.517898|4.911994|7.606652|0.147486|4.072991|3.660872|2.900780|2.576877|3.023378|2.201582|4.352467|2.601551|2.355702|1.657797|3.084677|1.479240|0.041306|1.373928|2.531218|1.316009|1.258248|1.169216|1.134704|1.174605|1.265814|2.388019|0.167076|0.143611|0.217247|0.304264|0.500000| |4.071589|5.471023|0.139881|8.851382|17.588579|8.837425|5.521105|6.652005|0.134567|3.531758|3.148979|2.522859|2.254384|2.650353|1.875354|3.572274|2.250153|2.088554|1.474336|2.707829|1.342398|0.037823|1.243555|2.318385|1.223797|1.176483|1.105883|1.079782|1.114374|1.187416|2.291290|0.108020|0.094527|0.110839|0.215745|0.210842|0.500000| |4.485897|6.689194|0.199844|8.846042|17.529816|8.854241|6.789605|7.682597|0.137302|4.067908|3.865123|2.949687|2.669661|3.044429|2.127767|4.059900|2.509485|2.327255|1.651769|3.059647|1.492310|0.042322|1.373177|2.553126|1.340358|1.276169|1.193500|1.168661|1.215368|1.303838|2.466959|0.109874|0.107121|0.120885|0.173424|0.215702|0.303701|0.500000| |4.147582|5.607169|0.132859|6.759084|8.813483|17.514035|8.871208|9.338175|0.213863|4.650210|3.724816|2.947004|2.498115|2.916110|2.024119|3.805620|2.415693|2.242578|1.553826|2.806237|1.415589|0.039811|1.293985|2.481040|1.312517|1.272545|1.196302|1.160379|1.188712|1.264170|2.461047|0.116944|0.099153|0.101863|0.196762|0.138724|0.215244|0.173444|0.500000| |3.529835|4.839806|0.130058|5.507867|8.786177|17.577303|8.970870|7.588669|0.146946|4.130787|3.683149|2.884235|2.537677|2.918181|1.991989|3.697132|2.374789|2.233865|1.567284|2.843359|1.436086|0.040817|1.310263|2.500056|1.328106|1.278199|1.205197|1.178986|1.215993|1.291847|2.503222|0.093820|0.087886|0.089368|0.138564|0.123328|0.208803|0.215344|0.303909|0.500000| |4.130463|5.570221|0.145618|4.901735|5.501609|8.779801|17.622836|12.374612|0.222496|7.334494|5.767147|4.230958|3.397643|3.773748|2.502177|4.607973|2.911290|2.711505|1.855946|3.322119|1.678961|0.047551|1.501200|2.953467|1.556166|1.501639|1.402417|1.357494|1.395056|1.493601|2.857144|0.110681|0.108488|0.096398|0.127486|0.107941|0.123273|0.139180|0.214366|0.212706|0.500000| |4.633000|7.016402|0.217660|5.820484|6.847952|8.812961|17.640207|12.393496|0.182405|6.861849|6.718697|4.427551|3.754784|4.004264|2.658723|4.968734|3.040762|2.820880|1.964176|3.586472|1.759273|0.050164|1.576773|3.034747|1.586503|1.508254|1.401320|1.365573|1.420244|1.533008|2.861589|0.113625|0.121615|0.110662|0.133209|0.130320|0.139731|0.200192|0.173417|0.214402|0.301491|0.500000| |7.306005|6.836614|0.163810|4.628169|3.852146|4.177247|5.610133|12.390470|0.232594|17.663865|8.836051|7.105165|4.639190|5.235409|3.701811|7.389874|4.078406|3.525052|2.310605|4.142151|1.994439|0.054843|1.773187|3.507685|1.785162|1.722964|1.566034|1.481957|1.518045|1.661036|3.066017|0.200834|0.237054|0.144389|0.125794|0.109866|0.089911|0.099403|0.113251|0.097200|0.149435|0.140998|0.500000| |4.834390|5.518027|0.140222|4.182943|3.916246|4.782040|7.219277|12.452961|0.230724|17.608904|8.814767|6.781360|4.494271|4.949428|3.265598|6.066157|3.682476|3.325735|2.195063|3.879545|1.939645|0.054114|1.708336|3.447631|1.784702|1.729509|1.588771|1.511925|1.545519|1.675419|3.144591|0.132779|0.140014|0.105833|0.112949|0.096745|0.091156|0.101159|0.129360|0.114282|0.232272|0.172251|0.303474|0.500000| |4.362248|5.303582|0.167839|3.942590|3.897180|4.390853|6.629116|9.038154|0.141230|8.818672|17.548684|8.804512|6.802404|6.189350|3.797508|6.922678|4.089275|3.752121|2.554271|4.629530|2.225969|0.063629|1.932982|3.832937|1.966051|1.848005|1.685887|1.629903|1.705391|1.875403|3.361001|0.106275|0.131884|0.102285|0.096825|0.096214|0.088839|0.112250|0.105793|0.111967|0.179953|0.226649|0.173331|0.213993|0.500000| |6.100329|6.797290|0.233027|4.472755|3.974623|4.026666|5.507104|9.338335|0.144343|8.837045|17.568117|8.907495|7.011581|6.524958|4.383671|8.816899|4.528192|3.951318|2.690728|5.014266|2.273465|0.063892|2.001737|3.848895|1.936605|1.811522|1.635802|1.572878|1.648920|1.831075|3.229035|0.134851|0.206903|0.139735|0.107360|0.113113|0.090279|0.114538|0.098537|0.098323|0.134852|0.174825|0.208024|0.173287|0.302595|0.500000| |4.489538|4.192627|0.118720|3.144672|2.805875|2.956372|3.779461|6.344000|0.115433|7.065219|8.874859|17.608307|8.949673|10.022323|6.843870|13.515633|6.481158|5.252259|3.261480|5.777260|2.668902|0.072661|2.285004|4.670676|2.292785|2.174819|1.919803|1.796815|1.857122|2.087096|3.638867|0.115120|0.158560|0.104553|0.082767|0.080506|0.067604|0.077174|0.077984|0.073958|0.104229|0.107116|0.218274|0.169303|0.173645|0.213344|0.500000| |3.611101|3.719614|0.105741|2.916275|2.754723|3.060220|4.037887|6.152957|0.112082|6.900487|8.786031|17.529530|8.834664|9.203000|5.185237|8.724286|5.441104|4.886547|3.068894|5.275869|2.625074|0.073189|2.206346|4.699822|2.368102|2.261341|2.019846|1.899330|1.956592|2.175742|3.859659|0.094798|0.115391|0.085206|0.076893|0.073150|0.066476|0.075928|0.080550|0.078568|0.119605|0.115182|0.175677|0.201109|0.210844|0.173723|0.302335|0.500000| |3.044437|3.207386|0.098481|2.596861|2.525917|2.687881|3.388286|4.779121|0.084934|4.441489|6.556057|8.805511|17.583618|12.622188|5.824292|9.002837|5.954176|5.722431|3.860157|6.860214|3.236880|0.094696|2.633120|5.471097|2.715691|2.458472|2.175137|2.098605|2.245067|2.563769|4.206268|0.076588|0.096104|0.076107|0.066277|0.067532|0.061394|0.073123|0.068373|0.071372|0.095252|0.105337|0.111694|0.117837|0.192288|0.163812|0.175029|0.218130|0.500000| |3.653289|3.689877|0.116931|2.882563|2.692089|2.737781|3.405570|5.105376|0.089387|4.669777|7.177368|8.850833|17.581437|12.511935|7.324154|13.062846|6.653643|5.788342|3.970158|7.588636|3.146480|0.089364|2.651196|5.135439|2.490114|2.249526|1.979041|1.902562|2.035630|2.336415|3.821267|0.088378|0.121274|0.092315|0.072490|0.076553|0.064959|0.078490|0.069267|0.070960|0.090769|0.106005|0.123221|0.113306|0.179153|0.221642|0.206644|0.174103|0.302535|0.500000| |2.560576|2.532603|0.074787|2.111943|2.012064|2.104899|2.521267|3.669418|0.068414|3.332857|4.182674|5.924808|8.989234|26.115961|9.400506|10.879380|10.428877|11.070549|6.355882|9.967344|4.818362|0.134263|3.561962|8.297166|3.776194|3.325904|2.771890|2.588083|2.773429|3.333709|5.000817|0.066376|0.081513|0.065339|0.055374|0.055926|0.050156|0.057222|0.055201|0.055760|0.071108|0.074545|0.091342|0.089962|0.110887|0.110066|0.152754|0.159464|0.232916|0.188951|0.500000| |2.452440|2.252868|0.065090|1.914145|1.758849|1.769520|2.026922|3.069238|0.058897|2.648287|3.019964|3.755890|4.364418|8.196655|9.632185|14.215838|25.951172|12.884369|7.199968|12.438903|4.724892|0.112010|4.098496|7.748670|3.329447|3.014349|2.475774|2.258806|2.375078|2.841679|4.395899|0.064416|0.079135|0.064969|0.050994|0.052214|0.044619|0.049517|0.047192|0.046218|0.055547|0.058364|0.078005|0.069111|0.075864|0.086079|0.116454|0.095398|0.102968|0.120072|0.154750|0.500000| |2.030026|1.943983|0.055924|1.681341|1.590167|1.640351|1.881183|2.751448|0.053129|2.380831|2.697935|3.403159|3.992968|7.773712|6.131979|8.098437|12.853116|26.070057|9.336134|10.904073|7.346133|0.159526|5.156516|15.691284|5.667835|5.011755|3.696950|3.202004|3.340833|4.224160|5.918734|0.054099|0.063455|0.053103|0.045013|0.045216|0.040547|0.044723|0.043923|0.043562|0.052934|0.054127|0.067921|0.064928|0.070835|0.073079|0.097924|0.094097|0.103598|0.100540|0.186421|0.201864|0.500000| |1.482754|1.448877|0.042159|1.302465|1.258003|1.275183|1.411552|1.996133|0.038629|1.626345|1.819109|2.063383|2.397478|3.829774|2.880237|4.489770|4.612209|5.828463|5.527285|8.635202|8.829712|0.210873|17.600929|12.432914|6.475868|4.710798|3.897977|3.926393|4.761003|6.545506|7.128132|0.039317|0.044794|0.039998|0.034699|0.035678|0.032643|0.035894|0.033984|0.034508|0.039276|0.041048|0.045378|0.044190|0.049675|0.050761|0.057226|0.056208|0.066400|0.065561|0.086623|0.093161|0.119463|0.500000| |1.629567|1.583315|0.046469|1.413754|1.356592|1.361841|1.511528|2.152565|0.041363|1.752906|1.988183|2.250131|2.674451|4.283377|3.322650|5.217645|5.311589|6.518700|7.025235|12.737810|8.859446|0.213055|17.618214|10.096081|4.634114|3.587265|3.000051|2.977381|3.483667|4.523045|5.629369|0.042783|0.049603|0.044216|0.037423|0.038959|0.035067|0.038911|0.036086|0.036689|0.041637|0.044244|0.049014|0.046953|0.053918|0.056443|0.062709|0.059871|0.072868|0.075189|0.094753|0.110868|0.122073|0.300381|0.500000| |1.601824|1.539783|0.044622|1.373950|1.310374|1.322680|1.468558|2.109786|0.040905|1.731643|1.930926|2.219523|2.565350|4.222648|3.361363|5.231737|5.757443|7.262578|6.892150|10.480945|8.846291|0.173342|17.571623|12.624024|5.438487|4.362450|3.464922|3.247201|3.610071|4.668955|6.029473|0.042532|0.048866|0.043241|0.036699|0.037707|0.033928|0.037225|0.035343|0.035491|0.040700|0.042497|0.048986|0.046709|0.051792|0.054193|0.062958|0.059840|0.068865|0.070418|0.093454|0.121765|0.147851|0.301475|0.300269|0.500000| |1.522533|1.484434|0.042208|1.327486|1.280313|1.331764|1.489965|2.119470|0.041665|1.771850|1.923319|2.265382|2.482372|4.082343|2.963161|4.498782|4.813736|6.053711|4.086334|5.798639|4.880363|0.118427|4.178466|13.479952|8.949512|17.738428|8.917835|5.671241|4.961551|5.659594|9.594276|0.041291|0.046007|0.040135|0.035937|0.035679|0.033174|0.035851|0.036056|0.035917|0.042496|0.042423|0.049877|0.049675|0.052122|0.051482|0.063402|0.065254|0.068652|0.063469|0.094659|0.090190|0.156262|0.116926|0.094307|0.119417|0.500000| |1.299402|1.283125|0.036402|1.166148|1.138936|1.189203|1.313586|1.837124|0.036310|1.507199|1.614277|1.840237|1.979723|3.076570|2.185522|3.434512|3.332733|3.924662|2.794937|4.254445|3.310794|0.087950|3.045034|7.575763|5.629526|8.889031|17.743907|8.950425|5.658230|4.947414|16.676157|0.035387|0.038656|0.034382|0.031656|0.031336|0.029741|0.031893|0.032299|0.032390|0.037657|0.037320|0.041982|0.042658|0.044470|0.043107|0.050734|0.053418|0.055975|0.051113|0.069964|0.063649|0.091742|0.090724|0.072498|0.083961|0.213108|0.500000| 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