Version2.0 2020-01-13T13:14:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)c1ccc(cc1)C[NH+]2C[C@@H](C[C@H]2C(=O)NCCc3ccc(cc3)F)n4cc(nn4)C(=O)OC C11970049 RHF 6-31G(d) (6D,7F) CC(C)c1ccc(cc1)C[NH+]2C[C@@H](C[C@H]2C(=O)NCCc3ccc(cc3)F)n4cc(nn4)C(=O)OC C01[X(C27H33F1N5O3)] 201 C1 606 COC(=O)c1nnn(c1)[C@H]1C[NH+]([C@@H](C1)C(=O)NCCc1ccc(cc1)F)Cc1ccc(cc1)C(C)C COC(=O)c1nnn(c1)[C@H]1C[NH+]([C@@H](C1)C(=O)NCCc1ccc(cc1)F)Cc1ccc(cc1)C(C)C COC(=O)c1cn(nn1)[C@@H]2C[C@H]([NH+](C2)Cc3ccc(cc3)C(C)C)C(=O)NCCc4ccc(F)cc4 InChIKey=ZXRPCWCIOSRWIC-NOZRDPDXSA-O InChI=1S/C27H32FN5O3/c1-18(2)21-8-4-20(5-9-21)15-32-16-23(33-17-24(30-31-33)27(35)36-3)14-25(32)26(34)29-13-12-19-6-10-22(28)11-7-19/h4-11,17-18,23,25H,12-16H2,1-3H3,(H,29,34)/p+1/t23-,25+/m1/s1 InChI=1/C27H32FN5O3/c1-18(2)21-8-4-20(5-9-21)15-32-16-23(33-17-24(30-31-33)27(35)36-3)14-25(32)26(34)29-13-12-19-6-10-22(28)11-7-19/h4-11,17-18,23,25H,12-16H2,1-3H3,(H,29,34)/p+1/t23-,25+/m1/s1/fC27H33FN5O3/h29,32H/q+1 CC(C)c1ccc(cc1)C[NH+]2C[C@@H](C[C@H]2C(=O)NCCc3ccc(cc3)F)n4cc(nn4)C(=O)OC C01[X(C27H33F1N5O3)] 201 C01 606 COC(=O)c1nnn(c1)[C@H]1C[NH+]([C@@H](C1)C(=O)NCCc1ccc(cc1)F)Cc1ccc(cc1)C(C)C COC(=O)[C@@H]1NNN(C1)[C@H]1C[NH]([C@@H](C1)C(=O)NCCc1ccc(cc1)F)Cc1ccc(cc1)C(C)C COC(=O)[C@H]1CN(NN1)[C@@H]2C[C@H]([NH](C2)Cc3ccc(cc3)C(C)C)C(=O)NCCc4ccc(F)cc4 InChIKey=KIDCBBHACWMVIW-SDHSZQHLSA-N InChI=1S/C27H37FN5O3/c1-18(2)21-8-4-20(5-9-21)15-32-16-23(33-17-24(30-31-33)27(35)36-3)14-25(32)26(34)29-13-12-19-6-10-22(28)11-7-19/h4-11,18,23-25,30-32H,12-17H2,1-3H3,(H,29,34)/t23-,24-,25+/m1/s1 InChI=1/C27H37FN5O3/c1-18(2)21-8-4-20(5-9-21)15-32-16-23(33-17-24(30-31-33)27(35)36-3)14-25(32)26(34)29-13-12-19-6-10-22(28)11-7-19/h4-11,18,23-25,30-32H,12-17H2,1-3H3,(H,29,34)/t23-,24-,25+/m1/s1/f/h29H 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14.3700 52.5431 46.3092 31.0918 50.0069 47.6034 14.0903 45.5095 70.4247 70.7347 79.2430 91.1757 105.3436 142.3073 48.5076 22.9792 27.6999 0.7264 0.7500 0.7474 0.7499 0.7248 0.7444 0.7497 0.7389 0.7448 0.6308 0.7051 0.7395 0.7410 0.6661 0.7349 0.4882 0.7405 0.6855 0.6590 0.7498 0.2464 0.7080 0.3284 0.3270 0.7388 0.6100 0.4114 0.7409 0.7399 0.1454 0.6824 0.7218 0.0946 0.5274 0.6121 0.7471 0.4738 0.7500 0.6627 0.7439 0.7023 0.5614 0.6611 0.1128 0.2147 0.0994 0.6646 0.6702 0.6188 0.5636 0.7483 0.1767 0.3723 0.7321 0.7493 0.2565 0.2730 0.0946 0.4285 0.2861 0.2038 0.3959 0.1114 0.7483 0.7500 0.0973 0.7264 0.0802 0.1039 0.4115 0.1088 0.7430 0.7480 0.2902 0.6081 0.6837 0.7192 0.5867 0.5498 0.1378 0.4948 0.7256 0.2019 0.1838 0.2713 0.3387 0.3672 0.4104 0.4161 0.3058 0.1703 0.6481 0.3244 0.5778 0.2793 0.3578 0.4216 0.6177 0.1151 0.7384 0.5558 0.7495 0.6935 0.7257 0.2481 0.3353 0.6492 0.6518 0.7498 0.4328 0.1153 0.6140 0.0384 0.1888 0.4776 0.3173 0.5769 0.4553 0.4819 0.6845 0.0941 0.6214 0.5117 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0.1774 0.8415 0.1485 0.1883 0.5831 0.1962 0.8526 0.8559 0.4499 0.7563 0.8121 0.8366 0.7395 0.7095 0.2422 0.6620 0.8410 0.3359 0.3105 0.4269 0.5060 0.5371 0.5820 0.5877 0.4683 0.2910 0.7865 0.4899 0.7324 0.4366 0.5271 0.5932 0.7636 0.2064 0.8495 0.7145 0.8568 0.8190 0.8411 0.3975 0.5022 0.7873 0.7892 0.8570 0.6041 0.2068 0.7609 0.0740 0.3176 0.6465 0.4817 0.7317 0.6257 0.6504 0.8127 0.1721 0.7665 0.6770 0.6522 0.7590 0.8206 0.6091 0.4779 0.8286 0.8328 0.8483 0.7886 0.7927 0.8563 0.4119 0.8543 0.7152 0.6366 0.8504 0.8333 0.8489 0.6250 0.5228 0.8354 0.4462 0.8364 0.8567 0.7300 0.7918 0.8537 0.8567 0.8568 0.8532 0.6326 0.8478 0.8569 0.5056 0.8566 0.5962 0.8090 0.3650 0.4257 0.7685 0.8568 0.6413 0.7127 0.3330 0.3715 0.0969 0.0329 0.2052 0.7496 0.2803 0.7265 0.0095 0.8547 0.1015 0.7796 0.2178 0.6297 0.7710 0.2407 0.2283 0.8515 0.8125 0.8567 0.7221 0.4418 0.6820 0.4696 0.3669 0.8125 0.6909 0.8231 0.3766 0.2803 0.4528 0.3507 0.4491 0.2751 0.3102 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 61 62 63 64 65 66 67 68 69 6 6 6 6 6 6 6 6 6 6 7 1 6 6 1 6 6 1 6 8 7 6 6 6 6 6 6 6 6 9 7 6 6 7 7 6 8 8 6 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 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 14.00307 12.00000 12.00000 14.00307 14.00307 12.00000 15.99491 15.99491 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 13807.9155 40064.4743 47852.1038 0.99993 0.01177 0.00000 -0.01177 0.99980 0.01628 0.00019 -0.01628 0.99987 1 0.00627 0.00216 0.00181 0.13070 0.04505 0.03771 15.67 16.60 22.21 27.78 33.09 40.39 53.54 56.92 76.44 85.34 91.14 98.29 110.68 135.08 152.44 163.23 175.08 207.41 238.22 256.85 268.11 269.45 304.03 346.38 351.70 364.88 380.59 392.66 402.48 436.70 447.77 471.15 495.99 507.03 520.12 558.33 578.91 618.19 650.95 659.39 664.98 672.41 678.10 684.60 713.46 731.42 757.65 801.63 816.00 857.46 881.86 892.23 955.78 1007.45 1007.65 1013.96 1026.25 1107.69 1124.96 1131.07 1139.95 1160.42 1178.20 1208.65 1217.49 1253.90 1256.16 1284.36 1299.34 1303.37 1329.63 1347.70 1366.24 1368.30 1382.43 1385.86 1416.82 1440.99 1442.93 1462.07 1462.77 1503.00 1507.42 1529.04 1534.85 1538.98 1571.38 1575.38 1577.14 1598.26 1600.86 1603.32 1606.52 1628.74 1635.42 1642.89 1654.58 1663.08 1683.09 1707.45 1709.85 1736.20 1742.76 1760.05 1806.16 1813.49 1846.15 1862.12 1865.13 1873.30 1892.60 1894.78 1897.54 1916.28 1924.25 1931.15 1942.70 1946.69 1966.66 2000.02 2008.20 2033.42 2039.00 2064.26 2080.47 2084.80 2095.17 2100.26 2101.59 2109.96 2127.12 2148.71 2169.33 2177.88 2196.43 2213.08 2226.17 2233.43 2238.71 2264.80 2271.82 2291.52 2292.21 2300.86 2328.43 2342.30 2346.14 2346.53 2353.62 2355.79 2361.14 2366.22 2368.13 2370.68 2370.99 2374.52 2376.83 2379.78 2435.22 2445.00 2502.37 2508.60 2542.47 2577.64 2612.55 2623.21 2764.11 2879.20 4610.49 4619.24 4627.88 4627.91 4677.84 4685.15 4693.54 4700.40 4703.37 4710.35 4711.14 4717.68 4722.35 4736.87 4775.45 4779.73 4789.88 4818.19 4822.49 4823.88 4832.69 4835.19 4835.30 4842.41 4846.02 4851.32 4865.86 4872.33 4896.77 4897.23 5017.96 5175.43 5571.74 0.623069 0.655330 0.656274 0.551398 -1637.112655 -1637.080395 -1637.079450 -1637.184326 3.517558D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2020 DUDE CC(C)c1ccc(cc1)C[NH+]2C[C@@H](C[C@H]2C(=O)NCCc3ccc(cc3)F)n4cc(nn4)C(=O)OC C11970049 RHF 6-31G(d) (6D,10F) C1 494.256743 |X|Y|Z| 78.141946 43.123321 139.731060 77.797049 27 6 7 22 5 |36.858105| |12.409174|36.858105| |7.515210|12.410362|36.858105| |7.529907|12.517565|7.528212|36.858105| |5.318279|7.525772|5.304365|13.686384|36.858105| |4.015064|4.997462|4.002470|7.875446|13.772131|36.858105| |3.732541|4.396959|3.726953|6.777575|7.915954|13.714236|36.858105| |4.312729|4.987839|4.307011|7.881727|6.907794|7.966778|13.694549|36.858105| |6.074023|7.485166|6.071607|13.674270|7.985792|6.897198|7.904843|13.775933|36.858105| |2.907203|3.264273|2.897606|4.415696|5.023834|7.555110|12.668658|7.594676|5.033754|36.858105| |2.519849|2.882249|2.675892|3.714575|4.227300|5.864872|7.537753|5.456428|4.064485|12.505706|53.358707| |2.517348|2.928049|2.702563|3.749371|4.495254|6.362455|6.974563|4.895469|3.876488|9.214809|25.564639|0.500000| |2.124669|2.356453|2.213074|2.892290|3.203722|4.115101|4.919566|3.989709|3.142614|7.534561|17.186904|0.256272|36.858105| |1.971046|2.178308|2.107922|2.611612|2.778269|3.369058|4.015714|3.569975|2.886288|5.345580|10.652144|0.170833|12.434763|36.858105| |1.779761|1.954021|1.899744|2.294527|2.445002|2.902364|3.317641|2.976389|2.487797|4.218190|7.814634|0.139224|8.813901|17.649603|0.500000| |2.100501|2.381016|2.355370|2.863689|3.027575|3.615173|4.253140|3.845628|3.156665|5.126528|10.782405|0.184212|7.938502|12.436987|0.243286|36.858105| |2.521324|2.933560|2.853140|3.718679|3.986219|5.008571|6.316278|5.425309|4.182442|7.437030|17.241228|0.265072|7.780656|7.830796|0.157432|12.397004|36.858105| |2.699134|3.112353|3.047324|3.992163|4.045975|4.928395|6.758429|6.584990|4.815773|7.416920|12.304163|0.188790|6.249788|6.559474|0.134638|8.744837|17.700453|0.500000| |2.645182|3.214133|3.189526|4.031806|4.453576|5.334604|5.765785|4.949917|4.217784|5.610906|10.633257|0.234124|5.304324|5.110480|0.118287|7.521283|12.442166|0.241256|36.858105| |2.540957|3.087489|2.990446|3.813718|4.502446|5.493410|5.305884|4.279607|3.756340|5.246107|9.886084|0.268763|5.162754|4.596884|0.111612|6.015571|8.106167|0.165423|15.771214|73.516695| |2.720768|3.356114|3.536216|4.049748|4.167731|4.508168|4.795045|4.632902|4.259241|4.355352|7.149739|0.148640|3.990669|4.092924|0.098012|5.828372|7.830844|0.199874|14.372673|15.024852|53.358707| |2.673575|3.358133|3.683292|3.797685|3.914420|3.934893|3.850550|3.744589|3.722480|3.425584|5.337939|0.115875|3.157892|3.181676|0.079698|4.170004|4.982529|0.129244|7.777187|11.960743|17.702594|36.858105| |2.207534|2.660721|2.891525|2.915415|3.027865|3.092065|3.043879|2.931733|2.874400|2.865303|4.567580|0.099266|2.884437|2.995128|0.077808|3.903981|4.152220|0.105166|5.806965|9.762125|10.392034|12.436477|36.858105| |2.103136|2.521437|2.780273|2.648012|2.737435|2.701055|2.587856|2.512351|2.539819|2.409877|3.696381|0.080636|2.382652|2.430712|0.064144|2.988038|3.163691|0.082067|4.121527|7.338935|6.773742|7.565455|12.585478|36.858105| |2.014542|2.378024|2.693849|2.430225|2.438920|2.367726|2.297628|2.290313|2.352856|2.134178|3.198233|0.068292|2.090751|2.156589|0.057091|2.600944|2.725563|0.072838|3.358290|5.796675|5.554289|5.645606|7.536859|13.706007|36.858105| |1.888015|2.198971|2.483945|2.194494|2.202906|2.113278|2.027991|2.020992|2.097725|1.884137|2.776990|0.059394|1.836627|1.874839|0.050011|2.198675|2.298399|0.061710|2.755040|4.859646|4.357004|4.161351|5.003616|7.877802|13.757397|36.858105| |1.845148|2.148708|2.373943|2.139026|2.190076|2.097901|1.976808|1.938517|2.009648|1.839493|2.706579|0.058659|1.794544|1.803780|0.048341|2.088177|2.189870|0.058141|2.632604|4.796910|4.016111|3.788967|4.452189|6.888625|8.021083|13.827627|36.858105| |1.908382|2.246959|2.425904|2.275755|2.390781|2.311078|2.144599|2.060053|2.115112|1.999929|2.976536|0.065658|1.961679|1.947469|0.052206|2.262727|2.387041|0.062238|2.938714|5.536672|4.384001|4.202845|5.007707|7.878542|6.878786|7.905624|13.819851|36.858105| |2.038950|2.438244|2.620626|2.540641|2.698631|2.653228|2.469501|2.346822|2.376966|2.305060|3.510762|0.078226|2.278927|2.267933|0.060387|2.707476|2.875075|0.073691|3.704030|7.047474|5.608664|5.747469|7.546993|13.696187|7.976702|6.877344|8.020001|13.765487|36.858105| |1.712024|1.961021|2.154135|1.924598|1.963203|1.871805|1.762305|1.733615|1.804813|1.644779|2.390837|0.051597|1.601479|1.604340|0.043196|1.824100|1.904956|0.050907|2.234925|4.078206|3.345349|3.020049|3.398874|4.656040|5.315153|8.174443|14.366176|8.173765|5.315534|97.533100| |1.950984|2.112871|2.049832|2.514809|2.590886|3.071263|3.767606|3.559632|2.862730|4.904766|8.007530|0.128231|7.697129|13.141315|0.259315|7.670845|6.056942|0.169744|4.117198|6.434502|4.840720|2.807661|2.616856|2.168141|1.972703|1.729059|1.650716|1.753722|2.009027|3.332280|53.358707| |1.744751|1.861474|1.819867|2.161732|2.201850|2.536125|3.010280|2.919364|2.437592|3.704157|5.686572|0.097523|5.236671|7.545961|0.201841|5.353320|4.305159|0.122059|3.243970|5.190156|3.983058|2.404212|2.293771|1.940396|1.793302|1.587796|1.514022|1.594018|1.802042|3.081818|19.414504|36.858105| |1.785428|1.877128|1.835666|2.170124|2.164749|2.457993|2.953654|2.977645|2.493373|3.533464|5.031990|0.086521|4.261805|5.350682|0.135882|4.302331|3.819892|0.114882|2.940933|4.667454|3.711366|2.258827|2.123285|1.817802|1.702031|1.515269|1.439428|1.502535|1.684062|2.944483|12.181565|13.969465|36.858105| |2.037129|2.143343|2.080342|2.527215|2.492264|2.857557|3.582669|3.707491|2.995489|4.323591|5.848705|0.097235|4.649241|5.487426|0.127696|4.603806|4.449985|0.142866|3.304247|5.131400|4.156390|2.475174|2.259373|1.921578|1.793859|1.590105|1.508146|1.576341|1.774180|3.074466|12.303343|8.673181|14.107236|53.358707| |2.175889|2.339979|2.255314|2.830926|2.849913|3.381334|4.386501|4.345520|3.356613|5.692750|8.127908|0.126193|6.494307|7.913705|0.162197|6.291312|6.185184|0.200679|4.147380|6.309601|4.986814|2.858686|2.573183|2.143770|1.966762|1.726002|1.641382|1.733753|1.977947|3.318218|19.469908|8.709750|8.951152|20.540728|53.358707| |1.614339|1.674021|1.645995|1.894704|1.874726|2.082642|2.436706|2.487689|2.152754|2.804974|3.912162|0.069697|3.229944|3.835004|0.102734|3.269581|2.957313|0.088078|2.407050|3.883282|3.107182|1.948453|1.854117|1.617743|1.534648|1.380835|1.311674|1.358375|1.504147|2.705406|7.259866|7.526363|12.865101|10.262839|7.287589|36.858105| |1.475056|1.531661|1.510676|1.717763|1.711796|1.892887|2.171574|2.188505|1.920250|2.485440|3.530481|0.064063|2.954966|3.519255|0.098688|3.008290|2.661188|0.077272|2.213767|3.619051|2.861017|1.819439|1.759544|1.545287|1.468454|1.326892|1.263275|1.307453|1.442366|2.613397|6.247135|6.591137|8.179514|7.243310|5.826306|16.011322|73.516695| |1.650376|1.689300|1.660992|1.899605|1.852358|2.032639|2.381689|2.491544|2.178466|2.675165|3.600827|0.064511|2.859698|3.245530|0.085158|2.875798|2.718661|0.082640|2.250363|3.625613|2.945151|1.861863|1.753891|1.543754|1.475809|1.334156|1.265491|1.303804|1.435283|2.619806|5.862105|5.260115|8.180550|9.271538|6.434907|14.580543|15.235769|73.516695| |1.496406|1.518793|1.499226|1.680125|1.635570|1.770266|2.030346|2.122111|1.899918|2.235648|3.007652|0.055001|2.370493|2.640129|0.070826|2.386943|2.263198|0.067804|1.931165|3.149589|2.552262|1.646400|1.565881|1.397089|1.346479|1.227794|1.166065|1.195304|1.304246|2.429898|4.485403|3.927004|5.211404|6.142166|4.754821|8.170942|12.687674|23.762070|36.858105| |17.561773|8.803328|6.882913|5.495096|4.283380|3.344233|3.100934|3.484265|4.589454|2.503973|3.025620|0.062025|1.905497|1.783534|0.045173|1.900784|2.237317|0.065891|2.364109|4.068372|3.339509|2.464511|2.072187|2.011536|1.950886|1.854764|1.818360|1.863880|1.961269|3.836304|2.400489|1.593399|1.628000|2.497203|2.646497|1.486226|2.430239|2.701759|1.390506|0.500000| |17.565048|8.749702|5.467961|6.902597|5.424069|4.165704|3.805644|4.236923|5.586646|2.985193|3.450192|0.070527|2.149548|1.963646|0.049329|2.059126|2.466339|0.072711|2.552724|4.423809|3.481119|2.485531|2.076559|1.972424|1.872564|1.759049|1.734778|1.809566|1.933137|3.633817|2.643888|1.736975|1.776154|2.756527|2.945722|1.606029|2.610058|2.917539|1.488424|0.301444|0.500000| |17.551071|8.730516|6.792879|6.716197|4.668616|3.759468|3.711205|4.538028|6.491224|2.922823|3.425398|0.068556|2.133986|2.002656|0.050033|2.128284|2.547076|0.077302|2.613088|4.373808|3.685589|2.608943|2.160588|2.036985|1.966015|1.831188|1.769246|1.816225|1.947539|3.688470|2.741474|1.807539|1.872817|2.934239|3.100195|1.698018|2.740395|3.115928|1.587402|0.302074|0.301497|0.500000| |8.945786|17.546833|8.948584|9.022720|7.467633|4.843498|4.004335|4.206888|5.606408|3.055376|3.737504|0.079216|2.263320|2.074474|0.052176|2.260526|2.751297|0.078955|3.072720|5.426206|4.305161|3.260840|2.623939|2.537806|2.375018|2.226207|2.216566|2.342012|2.515567|4.576761|2.702895|1.754847|1.752311|2.689228|2.943343|1.567194|2.568792|2.793669|1.419545|0.215964|0.213071|0.173627|0.500000| |6.885216|8.800823|17.563602|5.493569|4.274501|3.336114|3.097485|3.481531|4.589202|2.497654|3.169538|0.065556|1.968963|1.883952|0.047696|2.085214|2.461653|0.072235|2.732385|4.627888|4.093988|3.195947|2.611944|2.585096|2.554578|2.416523|2.323487|2.341579|2.467056|4.826559|2.499510|1.650619|1.666322|2.540595|2.723706|1.511209|2.481076|2.716990|1.392990|0.206962|0.140726|0.169021|0.215803|0.500000| |6.789613|8.730994|17.546820|6.718817|4.660873|3.750385|3.707333|4.533769|6.492848|2.913879|3.647927|0.073632|2.228289|2.154031|0.053671|2.408808|2.909128|0.088623|3.163717|5.125909|4.844739|3.581743|2.828076|2.670127|2.620599|2.391394|2.245180|2.269494|2.463603|4.580800|2.897836|1.895696|1.934084|3.008111|3.231419|1.736950|2.816625|3.140196|1.591210|0.168779|0.138992|0.200500|0.173647|0.302172|0.500000| |5.466729|8.747313|17.551443|6.892772|5.396073|4.139315|3.792439|4.223004|5.575564|2.965567|3.844200|0.080316|2.312328|2.211938|0.055395|2.524694|3.074918|0.089812|3.593346|5.988846|5.606166|4.517249|3.411396|3.295900|3.163668|2.874249|2.733403|2.808530|3.077017|5.475159|2.881622|1.868460|1.862058|2.855541|3.132348|1.659476|2.718090|2.947885|1.492468|0.140736|0.122349|0.138948|0.213291|0.301575|0.301114|0.500000| |5.016720|6.996832|4.995544|8.910395|17.721912|8.965329|5.647438|4.970525|5.662642|4.101156|4.942503|0.110090|2.863302|2.495393|0.062183|2.706481|3.419766|0.094044|3.906622|7.345448|5.026006|3.664300|2.913115|2.717697|2.417191|2.220293|2.248067|2.476807|2.755579|4.566068|3.144114|1.991933|1.947184|2.994705|3.385310|1.706061|2.797032|2.990465|1.500546|0.118159|0.144438|0.116953|0.231211|0.117733|0.116626|0.143320|0.500000| |3.398220|4.090577|3.383909|5.628996|8.959987|17.691288|8.876921|5.645246|4.962804|6.956514|8.039945|0.195574|4.278961|3.373730|0.082152|3.549395|4.711023|0.121423|5.079469|10.231270|5.616502|3.691733|3.014174|2.655074|2.298409|2.065794|2.081235|2.327076|2.671549|4.188857|4.066387|2.477550|2.358712|3.651023|4.323783|2.004541|3.273761|3.442206|1.694870|0.081353|0.099148|0.087789|0.115524|0.081073|0.087489|0.098329|0.217832|0.500000| |3.729415|4.076479|3.717268|5.627117|4.968225|5.651060|8.890028|17.689980|8.947644|7.035748|7.109238|0.123553|4.042001|3.764910|0.086214|3.967803|5.378360|0.196385|4.516169|6.784547|5.841762|3.415291|2.757906|2.353498|2.172786|1.915966|1.822493|1.918247|2.175838|3.679853|5.401759|3.251464|3.423533|6.088849|7.047751|2.824049|4.324505|5.093469|2.394541|0.086082|0.101394|0.112914|0.096556|0.085901|0.112519|0.100751|0.107792|0.123856|0.500000| |6.313605|6.919781|6.298512|8.886288|5.658488|4.965747|5.646022|8.979371|17.728281|4.115244|4.699111|0.090573|2.788180|2.640537|0.063867|2.877034|3.648002|0.118362|3.630104|5.705863|5.180496|3.391380|2.678728|2.396134|2.271476|2.036776|1.931212|1.999546|2.220383|3.927568|3.650052|2.331609|2.428186|3.965339|4.302850|2.129953|3.369067|3.889959|1.921543|0.134191|0.151634|0.213575|0.139990|0.134063|0.212933|0.150951|0.124112|0.107711|0.217802|0.500000| |2.773996|3.021710|2.729267|3.962544|4.192052|5.598454|8.865462|7.275417|4.770627|17.686839|12.394101|0.181434|7.113587|5.562328|0.119812|5.029396|6.709159|0.208795|4.778675|7.621793|5.367018|3.102879|2.640719|2.230140|2.009137|1.777549|1.720827|1.847029|2.109934|3.479351|7.783176|4.248286|4.207235|7.492797|10.190963|3.245218|4.976627|5.540609|2.540383|0.066615|0.078772|0.079387|0.077329|0.065801|0.078007|0.076496|0.096495|0.140668|0.222614|0.113837|0.500000| |2.741316|3.019544|2.638398|3.955626|4.668210|6.942538|8.849647|5.754160|4.251581|17.611266|12.459977|0.227183|7.067490|4.730168|0.109407|4.309277|5.557021|0.146942|4.587166|8.232894|4.943929|3.006313|2.582517|2.221001|1.968927|1.761470|1.739902|1.900190|2.166422|3.529047|5.854276|3.389987|3.213454|5.143273|6.424949|2.613352|4.176797|4.427098|2.112116|0.066186|0.079928|0.075510|0.080375|0.064261|0.072638|0.074510|0.110620|0.201988|0.147221|0.098361|0.300628|0.500000| |2.107415|2.290739|2.124073|2.803443|3.078323|3.935307|4.775861|3.925963|3.073399|7.631954|12.184619|0.191381|17.680760|8.684086|0.192364|5.741562|5.878723|0.147476|4.260695|7.380010|4.611065|2.754241|2.508071|2.121050|1.889550|1.679787|1.644294|1.783955|2.039926|3.333481|10.044168|5.303880|4.498138|6.767110|9.146101|3.409489|5.480010|5.402023|2.502178|0.052393|0.059881|0.059096|0.060936|0.052725|0.059611|0.060703|0.076351|0.112967|0.112670|0.076240|0.220979|0.218757|0.500000| |1.997419|2.220491|2.085618|2.679932|3.026066|3.834995|4.253336|3.435698|2.817623|5.908960|12.317998|0.245533|17.637925|8.817421|0.225572|6.605187|6.191661|0.136307|4.913617|9.265572|5.042068|3.050505|2.859018|2.387762|2.074609|1.833365|1.811795|2.001970|2.326146|3.642559|7.753669|4.357626|3.557816|5.066253|6.513431|2.827584|4.727493|4.463254|2.132841|0.050194|0.056306|0.055113|0.060199|0.051998|0.057635|0.060884|0.077115|0.115930|0.094096|0.069550|0.147139|0.168260|0.300637|0.500000| |2.032166|2.287708|2.310717|2.700114|2.768121|3.185479|3.734950|3.584236|3.015097|4.259671|7.780668|0.136788|5.682221|8.707891|0.196088|17.627848|8.714293|0.218439|6.220273|8.663826|7.647693|4.075180|3.898205|2.978333|2.653675|2.227468|2.079752|2.215104|2.632673|4.087904|9.852505|5.518064|4.533636|6.481051|8.345717|3.471402|5.671369|5.409705|2.519117|0.051375|0.054812|0.057753|0.059855|0.057060|0.066572|0.068711|0.068938|0.085185|0.105430|0.078364|0.120897|0.100118|0.127390|0.135224|0.500000| |1.987821|2.266243|2.250054|2.681946|2.886350|3.404057|3.779396|3.360763|2.858060|4.397417|9.069339|0.178119|6.810104|8.890413|0.223599|17.570572|8.816072|0.174269|7.423818|11.773634|7.746245|4.319730|4.287210|3.237918|2.751713|2.316814|2.219173|2.439887|2.962473|4.333121|7.705139|4.399212|3.561751|5.010405|6.376031|2.839401|4.772319|4.461551|2.135506|0.050402|0.054170|0.055321|0.060703|0.055810|0.063040|0.067700|0.073314|0.095620|0.093392|0.072265|0.114996|0.107867|0.137880|0.183936|0.301170|0.500000| |2.733178|3.308719|3.558151|3.960490|3.862735|4.118753|4.621146|4.809609|4.406545|4.216229|6.638701|0.129659|3.819069|4.078636|0.096671|5.765807|7.486404|0.222120|9.496508|10.855077|26.050607|8.964585|6.194312|4.336102|3.806201|3.014145|2.723915|2.883022|3.553198|5.177333|5.066105|3.078461|2.923444|4.519589|5.369686|2.441373|3.956143|4.141372|2.006004|0.068344|0.070727|0.077217|0.084460|0.083818|0.103373|0.112702|0.093732|0.102293|0.129680|0.113262|0.111062|0.096233|0.091885|0.095765|0.167588|0.145862|0.500000| |2.834067|3.652511|3.890541|4.146174|4.496144|4.428911|4.055033|3.797851|3.836397|3.513779|5.374152|0.121567|3.130558|3.023465|0.076002|3.806949|4.660975|0.118776|7.337681|13.182508|12.530407|17.641727|8.813768|6.896069|5.035513|3.979430|3.840855|4.467564|6.139460|6.938003|3.605100|2.265540|2.129781|3.181305|3.677127|1.842267|3.062167|3.137934|1.565909|0.072452|0.073696|0.075084|0.101571|0.093588|0.100777|0.134884|0.120370|0.117401|0.093072|0.094499|0.086047|0.087233|0.076340|0.085395|0.099617|0.110468|0.183037|0.500000| |2.836870|3.591919|4.191146|3.911622|3.808070|3.654324|3.607341|3.699333|3.853443|3.135283|4.660774|0.098388|2.800309|2.840554|0.071266|3.604907|4.267170|0.117697|5.856493|8.935813|12.578093|17.608505|8.804565|6.876783|5.961679|4.391852|3.831649|4.017268|5.117336|6.923790|3.532749|2.256171|2.161951|3.241180|3.668300|1.886963|3.122753|3.245197|1.623048|0.073151|0.071682|0.077440|0.095201|0.100566|0.114820|0.147733|0.098817|0.092842|0.094361|0.100561|0.080585|0.076482|0.069420|0.074272|0.100854|0.100426|0.230415|0.302913|0.500000| |2.087625|2.469245|2.707250|2.694525|2.733435|2.805482|2.848461|2.806480|2.731804|2.725839|4.339208|0.091371|2.805821|3.022455|0.078895|3.985483|4.045708|0.104985|5.218377|8.265090|9.509314|8.863998|17.543329|8.882375|7.147041|4.723789|3.993306|4.200785|5.648425|7.057116|3.654370|2.380418|2.206392|3.171411|3.578222|1.933401|3.268352|3.244024|1.629805|0.054531|0.054430|0.057547|0.066657|0.068245|0.075300|0.087039|0.072167|0.075224|0.075150|0.072060|0.071377|0.067834|0.068014|0.076261|0.116242|0.119805|0.177102|0.173631|0.211745|0.500000| |2.088528|2.491373|2.623500|2.771595|2.961606|3.118959|3.059729|2.853789|2.729938|2.969185|4.907608|0.109257|3.143754|3.251312|0.085594|4.273487|4.388342|0.106001|6.208194|11.309384|9.525231|8.893822|17.560603|8.886390|5.677329|4.212960|3.995379|4.712433|7.100667|7.060486|3.740364|2.394436|2.174871|3.119541|3.592157|1.887340|3.201990|3.140021|1.573348|0.054284|0.055349|0.056617|0.068802|0.065987|0.070967|0.084257|0.079497|0.086765|0.074621|0.069826|0.075219|0.075121|0.074598|0.088597|0.114593|0.138372|0.153129|0.212359|0.173819|0.303002|0.500000| |2.009570|2.352790|2.699082|2.410001|2.373228|2.312157|2.290049|2.323166|2.383113|2.132599|3.187863|0.066938|2.090753|2.192069|0.057834|2.660646|2.766349|0.075177|3.333547|5.555281|5.665534|5.482992|6.979319|8.901852|17.699323|8.965379|5.691367|4.953702|5.655979|9.630778|2.763792|1.853999|1.769573|2.539405|2.767884|1.598876|2.714942|2.739305|1.405530|0.053946|0.051619|0.055156|0.064171|0.070821|0.074585|0.087256|0.064340|0.061619|0.062008|0.064750|0.056432|0.054186|0.052590|0.056971|0.077089|0.077058|0.112568|0.128093|0.170092|0.214894|0.144055|0.500000| |1.801255|2.068098|2.353887|2.040457|2.021546|1.932821|1.869791|1.884214|1.964968|1.740292|2.539593|0.053793|1.692854|1.736320|0.046403|2.014777|2.094532|0.056896|2.450416|4.275651|3.856507|3.531020|4.071749|5.606015|8.850585|17.743879|8.963572|5.646368|4.956590|16.717896|2.206300|1.501341|1.442702|2.055711|2.210138|1.325246|2.267326|2.286551|1.190235|0.049515|0.046496|0.048806|0.057840|0.064424|0.063571|0.074518|0.056433|0.052235|0.050006|0.053635|0.046010|0.045249|0.043332|0.046734|0.057180|0.058380|0.075847|0.093076|0.105758|0.111721|0.096913|0.214341|0.500000| |1.832667|2.139667|2.268525|2.158925|2.294712|2.219081|2.038063|1.940744|1.990211|1.908935|2.823157|0.062636|1.874723|1.840981|0.049601|2.103313|2.215838|0.057625|2.687425|5.158407|3.889247|3.575500|4.075165|5.605890|4.957318|5.646941|8.962094|17.743492|8.853294|16.721650|2.255458|1.510547|1.423404|2.027528|2.225532|1.290722|2.213886|2.203072|1.139349|0.049912|0.048682|0.048163|0.062684|0.061271|0.058570|0.071948|0.066955|0.062853|0.050096|0.052105|0.048848|0.050969|0.047624|0.053580|0.056701|0.063041|0.071204|0.108043|0.094269|0.096583|0.111338|0.107578|0.124657|0.500000| |2.054001|2.460807|2.572467|2.613933|2.857694|2.861895|2.624989|2.432766|2.429296|2.470897|3.816580|0.087037|2.469380|2.416570|0.064458|2.877003|3.068104|0.076910|4.024595|8.112649|5.773473|5.657476|6.999382|8.902649|5.657390|4.952968|5.689289|8.962558|17.699925|9.628937|2.863264|1.871768|1.734405|2.487004|2.798933|1.539230|2.624469|2.598792|1.323574|0.054470|0.054683|0.054237|0.071039|0.066687|0.066824|0.083206|0.081610|0.081806|0.062193|0.062109|0.061972|0.065018|0.060927|0.071069|0.075936|0.088953|0.098834|0.179570|0.131589|0.143095|0.211994|0.124105|0.107565|0.214215|0.500000| |1.604257|1.711846|1.679617|1.964319|2.014357|2.300959|2.656405|2.551011|2.174846|3.211241|5.009907|0.089105|4.676122|6.617598|0.207639|4.834520|3.771442|0.103251|2.973041|4.861762|3.666009|2.260066|2.204886|1.879249|1.737933|1.545347|1.478113|1.557031|1.754308|3.016567|12.177318|17.831947|8.575710|7.984990|8.081908|6.428185|11.744451|8.038057|3.619514|0.040993|0.044386|0.045889|0.045205|0.042622|0.048299|0.048077|0.051258|0.063286|0.077173|0.057818|0.098466|0.083612|0.128860|0.115191|0.138199|0.117599|0.077625|0.059274|0.058686|0.063707|0.064532|0.049771|0.040618|0.041103|0.050682|0.500000| 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