Version2.4 2021-06-07T15:01:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCCN1[C@H](c2c([nH]nc2C1=O)c3cc(ccc3[O-])Cl)c4ccc(c(c4)OC)OCCCCC C39898534 RHF 6-31G(d) (6D,7F) CCCCCN1[C@H](c2c([nH]nc2C1=O)c3cc(ccc3[O-])Cl)c4ccc(c(c4)OC)OCCCCC C01[X(C28H33Cl1N3O4)] 201 C1 610 CCCCCOc1ccc(cc1OC)[C@@H]1N(CCCCC)C(=O)c2c1c([nH]n2)c1cc(Cl)ccc1[O-] CCCCCOc1ccc(cc1OC)[C@@H]1N(CCCCC)C(=O)c2c1c([nH]n2)c1cc(Cl)ccc1[O-] CCCCCOc1ccc(cc1OC)[C@@H]2N(CCCCC)C(=O)c3n[nH]c(c4cc(Cl)ccc4[O-])c23 InChIKey=PRMKVFPJEQGIRA-MHZLTWQESA-M InChI=1S/C28H34ClN3O4/c1-4-6-8-14-32-27(18-10-13-22(23(16-18)35-3)36-15-9-7-5-2)24-25(30-31-26(24)28(32)34)20-17-19(29)11-12-21(20)33/h10-13,16-17,27,33H,4-9,14-15H2,1-3H3,(H,30,31)/p-1/t27-/m0/s1 InChI=1/C28H34ClN3O4/c1-4-6-8-14-32-27(18-10-13-22(23(16-18)35-3)36-15-9-7-5-2)24-25(30-31-26(24)28(32)34)20-17-19(29)11-12-21(20)33/h10-13,16-17,27,33H,4-9,14-15H2,1-3H3,(H,30,31)/p-1/t27-/m0/s1/fC28H33ClN3O4/h33h,30H/q-1 CCCCCN1[C@H](c2c([nH]nc2C1=O)c3cc(ccc3[O-])Cl)c4ccc(c(c4)OC)OCCCCC C01[X(C28H33Cl1N3O4)] 201 C01 610 CCCCCOc1ccc(cc1OC)[C@@H]1N(CCCCC)C(=O)c2c1c([nH]n2)c1cc(Cl)ccc1[O-] CCCCCO[C]1[CH][CH][C]([CH][C]1OC)[C@H]1[C]2[C]([N][NH][C]2[C]2[CH][C]([CH][CH][C]2[O])Cl)C(=O)N1CCCCC CCCCCO[C]1[CH][CH][C]([CH][C]1OC)[C@H]2[C]3[C](N[N][C]3C(=O)N2CCCCC)[C]4[CH][C](Cl)[CH][CH][C]4[O] InChIKey=LNSYSTXDJXEHNF-MHZLTWQESA-N InChI=1S/C28H33ClN3O4/c1-4-6-8-14-32-27(18-10-13-22(23(16-18)35-3)36-15-9-7-5-2)24-25(30-31-26(24)28(32)34)20-17-19(29)11-12-21(20)33/h10-13,16-17,27H,4-9,14-15H2,1-3H3,(H,30,31)/t27-/m0/s1 InChI=1/C28H33ClN3O4/c1-4-6-8-14-32-27(18-10-13-22(23(16-18)35-3)36-15-9-7-5-2)24-25(30-31-26(24)28(32)34)20-17-19(29)11-12-21(20)33/h10-13,16-17,27H,4-9,14-15H2,1-3H3,(H,30,31)/t27-/m0/s1/f/h30H 3945.9118508601 -2001.8176438 1-A 26772.5227 136 474 610 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.71140 -20.49838 -20.48710 -20.42046 -20.34557 -15.53144 -15.48201 -15.47966 -11.24368 -11.20735 -11.19902 -11.19462 -11.17993 -11.17425 -11.17008 -11.16869 -11.16538 -11.16504 -11.16386 -11.15961 -11.15505 -11.15252 -11.15020 -11.14961 -11.14354 -11.13747 -11.13622 -11.13536 -11.13169 -11.13129 -11.12829 -11.12690 -11.11903 -11.10436 -11.10096 -11.08810 -10.44424 -7.91361 -7.91070 -7.91052 -1.33554 -1.30881 -1.29023 -1.27476 -1.18600 -1.16139 -1.05547 -1.05435 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1.0553 5.0426 3.1798 2.0352 1.9656 3.0242 0.9724 0.8457 5.1239 2.5550 5.1473 1.2127 2.9530 0.5654 0.0614 0.8715 3.5034 0.6694 1.4657 1.6868 0.1595 12.1771 1.3646 12.0050 10.7959 0.9567 22.7889 13.7383 1.0556 2.1040 7.9832 12.7697 4.1892 5.3853 4.1341 1.6550 1.3051 0.7272 0.4301 1.0592 1.9525 3.1796 1.2162 5.7029 18.2623 14.6815 8.1752 3.3597 13.8233 7.4824 5.0749 2.5179 6.4399 18.3543 3.8375 14.7204 8.1101 4.9465 1.0674 4.0129 2.2057 1.7612 8.5187 6.1719 6.2258 15.4271 0.0132 10.5615 1.2139 1.3693 1.0311 0.7542 81.5781 6.4499 2.6414 31.5639 5.1362 27.6468 34.5572 5.4339 4.1663 1.0536 0.1497 10.7393 19.3400 12.0883 2.0554 1.0792 1.7004 1.5800 1.5706 62.0699 2.8012 1.4541 2.7980 30.1714 16.0370 34.3604 30.5751 7.4972 37.0495 2.3047 20.2405 20.5506 12.1170 1.3893 17.7073 0.3643 1.0465 14.9503 13.0375 7.4418 276.9032 13.5277 6.6303 34.8721 9.7353 69.4658 122.9965 28.1492 40.9350 5.4315 89.7515 21.9819 12.6590 96.9975 142.1790 175.8616 97.7802 77.7805 63.4425 62.1338 111.1702 23.2924 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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 7 6 1 6 6 7 1 7 6 6 8 6 6 6 6 6 6 8 17 6 6 6 6 6 6 8 6 8 6 6 6 6 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 1 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 34.96885 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 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 1.00783 22842.3991 28561.0863 43379.0460 0.99862 0.04990 0.01652 -0.04999 0.99874 0.00484 -0.01626 -0.00566 0.99985 1 0.00379 0.00303 0.00200 0.07901 0.06319 0.04160 12.35 25.66 28.30 36.42 47.60 52.71 73.30 75.00 83.56 96.91 110.94 120.35 121.24 134.39 154.57 183.39 196.07 207.65 211.64 220.91 229.17 234.39 242.78 251.87 279.66 299.07 313.09 329.73 379.32 379.37 390.31 418.00 437.33 454.32 471.89 478.81 482.69 519.60 537.69 555.92 572.72 584.04 602.65 631.35 660.22 693.07 728.48 747.21 759.95 827.82 840.29 862.49 870.87 929.70 935.18 951.47 975.42 993.25 996.46 1068.63 1101.23 1126.06 1134.16 1136.40 1155.30 1158.88 1183.79 1198.75 1205.33 1225.97 1245.36 1273.45 1301.52 1325.55 1329.36 1332.16 1353.77 1370.42 1385.50 1392.86 1465.07 1486.29 1505.38 1508.66 1534.18 1545.94 1547.33 1550.84 1569.49 1572.29 1575.51 1609.06 1637.59 1638.09 1642.86 1681.06 1688.11 1704.13 1716.63 1731.21 1761.69 1772.33 1780.14 1790.93 1797.16 1829.59 1839.63 1859.43 1875.31 1881.10 1912.31 1922.43 1923.68 1930.22 1954.17 1983.80 1991.03 2000.06 2002.67 2008.11 2043.86 2050.11 2074.75 2082.30 2085.20 2092.67 2093.52 2100.24 2120.50 2133.91 2140.77 2148.97 2172.36 2219.11 2224.84 2235.10 2250.24 2253.17 2261.34 2272.84 2281.39 2291.29 2292.88 2343.30 2350.94 2352.56 2355.22 2356.78 2359.00 2360.15 2365.64 2365.68 2370.15 2372.54 2376.40 2384.17 2384.41 2389.00 2416.52 2422.39 2434.89 2447.22 2461.90 2559.26 2574.62 2615.63 2619.79 2821.62 4564.83 4565.52 4578.86 4587.87 4589.65 4593.80 4595.45 4597.69 4598.93 4610.41 4620.90 4624.50 4625.22 4632.87 4634.76 4656.36 4669.93 4677.39 4682.13 4683.84 4684.46 4692.56 4722.93 4727.36 4731.26 4764.69 4815.88 4827.56 4847.64 4860.42 4888.52 4904.71 5646.75 0.612869 0.646779 0.647723 0.541527 -2001.204775 -2001.170865 -2001.169920 -2001.276117 3.561865D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CCCCCN1[C@H](c2c([nH]nc2C1=O)c3cc(ccc3[O-])Cl)c4ccc(c(c4)OC)OCCCCC C39898534 RHF 6-31G(d) (6D,10F) C1 510.215960 |X|Y|Z| 118.449529 101.722371 48.935738 83.854296 20 6 7 17 3 |36.858105| |12.462669|36.858105| |7.466099|12.453233|36.858105| |4.859118|7.458015|12.456455|36.858105| |3.739910|4.865455|7.493400|12.447902|36.858105| |2.996130|3.780200|4.965576|7.663297|13.187330|53.358707| |2.660383|3.273788|4.030477|5.636614|7.444518|17.568600|36.858105| |2.829899|3.548474|4.256077|6.010365|6.768056|12.288648|17.620896|0.500000| |2.298153|2.776279|3.241866|4.325576|5.177460|11.356616|12.687772|0.248089|36.858105| |2.000530|2.362464|2.655997|3.352773|3.774920|7.099388|6.959768|0.168612|13.888458|36.858105| |1.897520|2.225691|2.475309|3.082730|3.426014|6.278388|5.227377|0.127203|8.885850|13.991063|53.358707| |1.743454|2.019939|2.208173|2.681544|2.913486|5.070267|4.133405|0.104538|6.128630|9.070441|26.117630|0.500000| |2.034748|2.407999|2.714343|3.439584|3.884813|7.323612|5.349283|0.125888|8.444695|8.351091|19.404977|0.263198|53.358707| |2.309804|2.793485|3.264694|4.367866|5.237666|11.540460|8.030696|0.171209|13.705351|8.681209|12.643506|0.177106|19.931490|36.858105| |2.702368|3.343729|4.126977|5.862350|7.777410|18.969552|7.908775|0.170144|8.112761|5.400526|7.347489|0.119003|10.037505|12.862080|36.858105| |2.759108|3.376022|4.126204|5.506476|6.739093|11.351390|5.356591|0.126338|5.412312|4.132882|5.928947|0.101867|8.098026|7.810782|15.850034|73.516695| |1.828205|2.121553|2.336266|2.838596|3.101666|5.360140|5.237340|0.139865|7.261100|12.982278|10.496101|0.192730|7.096590|5.212682|3.865911|5.601350|36.858105| |1.616221|1.842080|2.008244|2.372040|2.582754|4.306716|3.896711|0.102893|5.058687|7.704217|8.799528|0.189123|6.094753|4.163326|3.197629|4.831401|13.688894|36.858105| |1.495436|1.683873|1.811871|2.094080|2.241280|3.599678|3.197377|0.087153|3.818535|5.086708|6.045468|0.130813|4.621710|3.226595|2.626032|4.062890|7.896488|13.859221|36.858105| |1.527893|1.718483|1.834587|2.106751|2.219819|3.498941|3.150977|0.089197|3.570705|4.477218|5.108541|0.106159|4.077615|2.957528|2.482489|3.842308|6.831276|7.959602|13.657693|36.858105| |1.698773|1.932780|2.067986|2.404530|2.514928|3.981318|3.727785|0.109664|4.120211|5.041059|5.363458|0.106436|4.322949|3.256994|2.747720|4.181680|7.864622|6.900062|7.957331|13.936649|36.858105| |1.900131|2.207119|2.403028|2.893681|3.069298|5.082033|5.099715|0.151246|5.924863|7.598743|7.019090|0.130927|5.477524|4.269813|3.461864|5.078546|13.226327|7.723219|6.675899|7.722883|13.242691|36.858105| |2.145664|2.535941|2.770216|3.399092|3.533786|5.796079|6.101382|0.204955|6.270224|6.675875|6.309747|0.113713|5.312718|4.404732|3.745407|5.426024|8.043740|5.266755|4.647021|5.296064|8.109927|15.287497|73.516695| |1.318861|1.464258|1.564972|1.774172|1.893694|2.974322|2.524878|0.068191|2.938091|3.666971|4.769435|0.106614|3.851812|2.634308|2.205377|3.509066|4.718803|6.976674|10.793679|6.943672|4.742252|4.124872|5.775331|448.794386| |2.444557|2.877768|3.543359|4.430533|5.963292|10.395227|12.476254|0.247797|7.464644|5.464552|5.742361|0.097425|5.655152|5.454097|5.425081|7.405771|4.705535|3.717046|3.147370|3.122919|3.632750|4.674993|9.396411|20.248728|36.858105| |2.341741|2.687520|3.351802|3.985361|5.619571|8.958973|7.478745|0.157717|5.628693|4.395338|5.058261|0.087713|5.190022|4.826034|5.096967|7.379984|3.793319|3.223089|2.765608|2.683014|2.979046|3.612036|6.857798|18.606022|13.851736|36.858105| |2.114447|2.351776|2.852429|3.196340|4.148559|6.070675|4.978508|0.117432|4.125086|3.542738|4.167839|0.074968|4.170738|3.620571|3.724921|5.728787|3.275433|2.913343|2.592303|2.535662|2.760071|3.180836|5.892886|17.885531|7.919410|13.650369|36.858105| |1.998012|2.203634|2.600930|2.873459|3.508464|5.082876|4.405939|0.110990|3.714728|3.344775|3.854019|0.070481|3.725714|3.155382|3.141854|4.850021|3.285559|2.942861|2.701406|2.714003|2.974576|3.329105|6.149583|18.532413|6.809424|7.904564|13.839878|36.858105| |2.060105|2.305044|2.686684|3.028770|3.587232|5.312880|5.017939|0.132856|4.138544|3.767572|4.144049|0.075437|3.893770|3.318837|3.216296|4.856720|3.851104|3.322095|3.070654|3.193022|3.653728|4.139884|7.852206|20.236879|7.881839|6.870014|7.945592|13.553287|36.858105| |2.268673|2.617477|3.091178|3.670542|4.414672|6.928260|7.573375|0.201439|5.632952|4.823037|4.997610|0.088180|4.669715|4.159355|3.973405|5.739005|4.756070|3.790254|3.359628|3.490783|4.193898|5.224352|10.648426|21.248001|13.620048|7.977544|6.908057|7.913908|13.834585|36.858105| |1.892884|2.084892|2.359419|2.595011|2.929104|4.244279|3.867082|0.107482|3.367886|3.220354|3.610287|0.067385|3.349611|2.764569|2.657300|4.104427|3.463371|3.090935|3.002335|3.238693|3.681397|3.874334|7.210016|20.065796|5.178724|4.621889|5.294061|8.150583|14.104266|7.900958|73.516695| |1.858846|2.058322|2.277381|2.520837|2.744351|4.011987|3.715307|0.108267|3.327661|3.288509|3.638747|0.068587|3.307028|2.694877|2.541093|3.919130|3.720236|3.289624|3.302226|3.778594|4.493538|4.492640|8.415937|21.484320|4.535053|3.816797|4.003085|5.255549|8.049038|6.791924|24.175513|36.858105| |1.806764|1.951295|2.254850|2.419476|2.850243|4.028439|3.356358|0.087058|2.957061|2.756100|3.267150|0.061092|3.154045|2.591646|2.579070|4.095189|2.771534|2.574221|2.436248|2.460333|2.631792|2.820649|5.119222|17.256806|4.589244|5.174892|7.867246|14.051181|8.127674|5.275743|13.052153|4.778121|73.516695| |1.705770|1.819857|2.099518|2.219848|2.617592|3.654639|2.909778|0.074664|2.622062|2.448929|2.993757|0.056427|2.937766|2.382934|2.400696|3.897411|2.420668|2.293372|2.166866|2.149477|2.253502|2.404854|4.324030|15.771908|3.780849|4.504909|6.720772|8.008963|5.239501|3.983077|8.495796|3.546183|24.260847|36.858105| |1.538107|1.620276|1.831105|1.909478|2.183635|3.026907|2.399274|0.062958|2.204598|2.103709|2.599214|0.049729|2.534049|2.018541|2.019747|3.318602|2.120266|2.045052|1.978593|1.980416|2.049796|2.128610|3.799545|14.705197|2.969083|3.334990|4.404145|5.228080|4.073344|3.194887|7.321164|3.212606|14.385476|12.537841|36.858105| |1.434497|1.496914|1.682523|1.737265|1.975296|2.719097|2.101395|0.054990|1.958125|1.872546|2.361654|0.045496|2.327392|1.834270|1.848016|3.087513|1.867585|1.820255|1.759136|1.742219|1.784356|1.851408|3.293206|13.315037|2.517561|2.853634|3.601455|3.887416|3.138210|2.613253|5.522642|2.557547|9.076225|7.509023|12.457201|36.858105| |1.309001|1.355953|1.502163|1.540813|1.718785|2.360424|1.824213|0.048360|1.716056|1.660003|2.104775|0.040912|2.065209|1.611608|1.616059|2.714495|1.673685|1.645647|1.613566|1.608520|1.635827|1.671165|2.963526|12.374034|2.134013|2.346158|2.832390|3.081656|2.638791|2.237775|4.802667|2.302884|6.903825|4.877351|7.466717|12.452856|36.858105| |1.226495|1.262743|1.392033|1.419659|1.575310|2.155410|1.641486|0.043471|1.556969|1.507547|1.936531|0.037814|1.913907|1.483001|1.493257|2.536115|1.509058|1.490991|1.459178|1.445113|1.462320|1.495753|2.649477|11.305234|1.883721|2.074079|2.439052|2.558328|2.220718|1.938747|3.979503|1.952044|5.427054|3.744458|4.862497|7.468914|12.464933|36.858105| |17.529036|8.772786|6.765597|4.492790|3.629536|3.947032|2.526678|0.072983|2.205322|1.920502|2.507099|0.047087|2.714585|2.253213|2.664750|4.950327|1.744814|1.554165|1.434584|1.453985|1.602409|1.789967|3.549221|10.229536|2.339446|2.288738|2.073615|1.936845|1.966035|2.146859|3.198047|1.749700|3.126581|1.680531|1.514450|1.424852|1.298505|1.223948|0.500000| |17.529510|8.772532|6.765017|4.491641|3.626242|3.946845|2.630296|0.077976|2.242489|1.956671|2.499566|0.046873|2.651822|2.215999|2.565084|4.577132|1.806540|1.598504|1.487005|1.527638|1.701976|1.893080|3.809448|10.525441|2.479227|2.381076|2.180082|2.079458|2.143085|2.333890|3.519724|1.936102|3.360663|1.780037|1.609008|1.495584|1.365489|1.275128|0.301686|0.500000| |17.534690|8.762069|5.448853|4.033945|3.166136|3.599809|2.394741|0.071109|2.111944|1.868257|2.424599|0.045842|2.582828|2.121862|2.430387|4.409151|1.723135|1.532549|1.427253|1.462545|1.621335|1.796730|3.589736|10.150012|2.196951|2.093085|1.904583|1.817832|1.884401|2.066164|3.115626|1.739131|2.946169|1.565422|1.424891|1.332383|1.224917|1.150767|0.301530|0.301552|0.500000| |8.860442|17.513945|8.863012|6.864583|4.539711|5.019374|3.143174|0.093472|2.756549|2.360958|3.084163|0.057339|3.380155|2.847126|3.417621|6.308267|2.100872|1.831569|1.667643|1.689820|1.888417|2.158871|4.363579|11.685058|2.704139|2.531968|2.204330|2.054668|2.143711|2.439776|3.450060|1.924504|3.240389|1.709682|1.525734|1.417538|1.286905|1.204045|0.210657|0.172931|0.212541|0.500000| |8.861127|17.513308|8.860199|6.859605|4.532829|5.018589|3.347736|0.104615|2.829447|2.428501|3.070174|0.056955|3.261983|2.773548|3.215830|5.589750|2.210298|1.904719|1.750883|1.807608|2.056125|2.345633|4.872102|12.128137|2.924731|2.657485|2.332306|2.225737|2.377178|2.722757|3.860562|2.179006|3.500748|1.813809|1.621666|1.486491|1.351425|1.252225|0.172940|0.210649|0.212582|0.304045|0.500000| |6.875956|8.864212|17.485210|8.844719|6.880336|6.303656|3.975567|0.117460|3.116759|2.571671|3.208103|0.058535|3.449148|3.039093|3.722125|6.419512|2.303267|1.983146|1.803553|1.840446|2.081622|2.400359|4.940922|12.499631|3.694455|3.511477|3.049588|2.811673|2.901831|3.292708|4.533488|2.436448|4.338224|2.257026|1.964251|1.791795|1.595486|1.469593|0.169167|0.203992|0.140430|0.173816|0.211861|0.500000| |6.875878|8.864743|17.489277|8.853052|6.902090|6.304196|3.644335|0.102271|3.019789|2.491656|3.223983|0.058952|3.589814|3.136611|4.045662|7.584236|2.179990|1.900814|1.712805|1.716369|1.907868|2.201013|4.412089|12.015317|3.276197|3.235318|2.778222|2.487661|2.504030|2.823813|3.904184|2.094504|3.868946|2.064789|1.800045|1.674362|1.491934|1.393150|0.204003|0.169150|0.140431|0.211945|0.173798|0.303615|0.500000| |4.521499|6.830270|8.838994|17.542142|8.902874|9.529148|5.051073|0.145470|4.261556|3.353824|4.352256|0.077544|5.006605|4.594542|6.317602|11.368708|2.792793|2.352179|2.064800|2.055912|2.322043|2.789675|5.710736|14.130077|3.872563|3.532239|2.857518|2.567818|2.691046|3.227377|4.148334|2.287608|3.891181|2.030427|1.761335|1.617906|1.442776|1.338732|0.119352|0.110997|0.108242|0.206080|0.170416|0.173416|0.211499|0.500000| |4.523423|6.836073|8.844883|17.518429|8.854813|9.525528|6.068249|0.203793|4.548192|3.557255|4.313152|0.076598|4.643872|4.302503|5.258280|8.266659|3.067797|2.514088|2.230125|2.280502|2.659081|3.234732|7.030339|14.937735|4.624183|3.900631|3.155227|2.929186|3.205550|3.990693|4.930238|2.757579|4.369867|2.212317|1.914261|1.723041|1.535756|1.406072|0.111048|0.119370|0.108286|0.170625|0.206163|0.211444|0.173530|0.303022|0.500000| |3.650741|4.528196|6.867472|8.825269|17.574410|12.601209|7.134547|0.184981|4.719291|3.548970|4.268706|0.074896|4.643962|4.444617|5.797390|8.923834|3.028188|2.532223|2.226870|2.230746|2.539595|3.064317|6.314013|15.099161|6.804054|6.521082|4.852805|4.091901|4.157817|5.074731|5.903562|3.035909|5.794103|2.947791|2.422828|2.161151|1.864165|1.691738|0.097432|0.102739|0.085475|0.111969|0.120159|0.206980|0.171794|0.173996|0.210898|0.500000| |3.649022|4.532692|6.852261|8.857443|17.594598|12.619243|5.626531|0.138526|4.413761|3.355644|4.318735|0.075980|5.022551|4.785264|7.350052|13.326558|2.768721|2.371079|2.065345|2.022374|2.245199|2.683942|5.319469|14.283962|4.897493|5.104344|3.917293|3.235970|3.178109|3.721645|4.673489|2.438350|4.781249|2.544265|2.126445|1.957549|1.699983|1.573808|0.102782|0.097149|0.085504|0.120742|0.111932|0.170192|0.207133|0.213992|0.173844|0.302691|0.500000| |1.562772|1.774269|1.940260|2.283911|2.511120|4.199064|3.648291|0.093629|4.819757|7.120161|9.643082|0.225112|6.596534|4.252834|3.223666|4.934534|8.901360|17.698565|9.004370|5.663007|4.965120|5.539885|7.526699|53.741671|3.483360|3.145050|2.845037|2.803362|3.047424|3.414046|4.978712|2.886496|4.389718|2.247890|2.001326|1.804862|1.628257|1.486800|0.042064|0.042778|0.041130|0.049291|0.050439|0.052929|0.051603|0.063528|0.066052|0.067770|0.065153|0.500000| |1.428407|1.590360|1.683457|1.903235|1.988842|3.070997|2.700550|0.076798|2.976234|3.573580|4.235281|0.088640|3.495572|2.534197|2.179130|3.425589|4.929110|5.660512|8.896627|17.701309|8.971664|5.541621|7.577626|53.256619|2.708552|2.374688|2.286735|2.468619|2.867588|3.038120|5.319630|3.515573|4.073873|2.016958|1.892310|1.672047|1.562389|1.405886|0.037777|0.039781|0.038161|0.043398|0.046491|0.047071|0.043865|0.051576|0.057035|0.055764|0.050701|0.124617|0.500000| |1.706747|1.931274|2.043916|2.342959|2.407949|3.708662|3.417989|0.103532|3.583366|4.103405|4.502171|0.088975|3.782255|2.890263|2.522926|3.883999|5.615293|4.964885|5.648010|8.968986|17.701726|8.868649|13.120710|31.418654|3.362090|2.768271|2.599160|2.844000|3.528650|3.974409|6.564881|4.748009|4.537555|2.175528|2.002396|1.738783|1.606555|1.433462|0.044435|0.047764|0.045447|0.052087|0.057639|0.057580|0.052036|0.062377|0.072706|0.068193|0.059558|0.107709|0.215797|0.500000| |2.398522|2.760187|3.497843|4.188296|6.257255|10.065619|6.885494|0.142735|5.516960|4.217964|5.131298|0.088585|5.566588|5.263754|6.013143|8.853493|3.492630|3.014292|2.565669|2.451341|2.681614|3.236104|6.090767|17.567086|8.938858|17.737110|8.923230|5.648683|4.952187|5.653077|6.519086|3.150532|7.442315|3.915492|2.984794|2.656267|2.198033|1.982765|0.066084|0.066899|0.059247|0.073135|0.074230|0.099234|0.096641|0.105252|0.108600|0.187862|0.170454|0.083716|0.060530|0.069071|0.500000| |2.017116|2.208354|2.665212|2.912712|3.736814|5.310367|4.072838|0.097381|3.528150|3.086787|3.772752|0.068812|3.839995|3.256603|3.405486|5.433168|2.846539|2.601498|2.334184|2.261639|2.414234|2.729148|4.993093|16.536816|5.658546|8.936315|17.749629|8.939604|5.639437|4.972918|7.583900|3.335558|12.544153|7.482682|4.698009|4.017390|3.050390|2.653428|0.055640|0.057716|0.050512|0.057785|0.060098|0.078766|0.073747|0.073346|0.078269|0.118592|0.102651|0.071877|0.057305|0.063328|0.217309|0.500000| |2.265780|2.634824|3.027450|3.620541|4.087594|6.418484|7.163506|0.221363|5.631466|5.054799|5.084681|0.090440|4.623143|4.048207|3.765103|5.451754|5.298595|4.045620|3.640541|3.951873|5.084417|6.565396|14.875518|22.274703|8.968828|5.690900|4.974394|5.623102|8.915580|17.760275|12.561814|7.565396|7.562060|3.322734|2.796643|2.323437|2.037323|1.778384|0.058853|0.064530|0.057907|0.068443|0.077779|0.088709|0.075521|0.089297|0.113908|0.125731|0.094693|0.097511|0.094357|0.136629|0.124746|0.107937|0.500000| |1.715230|1.872402|2.043547|2.220969|2.385989|3.439069|3.068365|0.088910|2.812838|2.818865|3.209477|0.061452|2.929021|2.345456|2.221710|3.484716|3.194413|2.935499|3.037050|3.498795|3.982010|3.774113|6.876957|20.470724|3.627659|3.198082|3.420807|4.410994|5.894872|4.935112|17.009418|17.618445|7.742792|3.338366|3.177912|2.534818|2.336298|1.969874|0.044959|0.049742|0.044889|0.048751|0.054973|0.060668|0.052580|0.056478|0.066912|0.072710|0.059814|0.072343|0.094096|0.119508|0.075336|0.082095|0.147300|0.500000| |1.802634|2.014439|2.222602|2.507463|2.734026|4.128688|3.923076|0.113411|3.676823|3.785998|4.086879|0.077241|3.610033|2.909365|2.656769|4.054918|4.540605|3.993652|4.062489|4.791003|5.873249|5.695494|10.029787|25.265204|4.655940|3.822619|3.873197|4.843838|7.165887|6.840837|16.421314|17.589154|7.610943|3.290582|2.959774|2.405848|2.167215|1.858860|0.047243|0.051572|0.046998|0.052922|0.059176|0.064936|0.056910|0.064089|0.076307|0.082140|0.067441|0.094284|0.120290|0.167879|0.088321|0.089720|0.225773|0.299220|0.500000| |2.020180|2.250063|2.476628|2.737148|2.916256|4.188948|3.887766|0.118745|3.368526|3.252175|3.592931|0.067338|3.301202|2.723118|2.607165|4.017806|3.602491|3.096273|3.069084|3.537304|4.366788|4.496219|9.092586|19.874381|4.573861|3.727839|3.760295|4.690430|6.978783|6.772794|16.414740|17.560389|7.397859|3.190312|2.881130|2.344274|2.119732|1.819897|0.052234|0.058758|0.052486|0.057907|0.067122|0.074229|0.062271|0.068196|0.084973|0.090240|0.070825|0.075436|0.091190|0.132868|0.086352|0.087263|0.230585|0.299807|0.300027|0.500000| |1.804743|1.912677|2.229515|2.322987|2.761899|3.753330|2.903847|0.074457|2.567662|2.351211|2.897511|0.054377|2.893146|2.368939|2.448035|4.017185|2.280052|2.137469|2.004117|1.989008|2.101631|2.266764|4.138028|14.562488|3.735530|4.590031|6.785692|7.051335|4.733895|3.785833|7.459485|3.207334|16.536724|17.506316|8.843238|6.846695|4.527141|3.645362|0.049669|0.052563|0.045697|0.049647|0.052510|0.067159|0.061444|0.058625|0.063523|0.087535|0.075534|0.058374|0.051777|0.056580|0.113827|0.229973|0.087754|0.083326|0.082337|0.082908|0.500000| |1.648174|1.768089|2.040354|2.183409|2.597492|3.706601|2.936743|0.073933|2.716046|2.557903|3.159969|0.059649|3.101736|2.493097|2.482907|4.032555|2.510083|2.409937|2.255561|2.193997|2.268935|2.432026|4.301580|16.562637|3.782312|4.634346|6.831338|7.160618|4.821531|3.844142|7.591564|3.288055|16.549920|17.515274|8.837163|6.835506|4.523244|3.642141|0.045302|0.047330|0.042085|0.046565|0.048755|0.060065|0.056096|0.056104|0.060072|0.079702|0.070808|0.066591|0.056902|0.059967|0.114484|0.226719|0.089169|0.085405|0.087836|0.081853|0.301285|0.500000| |1.464257|1.549387|1.737266|1.827879|2.074637|2.920686|2.350117|0.061875|2.196468|2.134256|2.629635|0.050632|2.529871|1.995887|1.963136|3.209396|2.190022|2.140632|2.097353|2.101563|2.150746|2.199829|3.870819|15.706277|2.887919|3.159664|4.057702|4.946690|4.062201|3.171031|7.612132|3.379864|13.184282|8.949582|17.541066|8.819487|6.822565|4.517564|0.039909|0.042370|0.037874|0.040712|0.043311|0.051407|0.047203|0.047112|0.051290|0.063283|0.055752|0.058036|0.056114|0.058270|0.078150|0.115798|0.078180|0.094685|0.087431|0.082057|0.174230|0.213123|0.500000| |1.570168|1.643518|1.849101|1.907290|2.155437|2.943960|2.334110|0.062203|2.116962|2.011199|2.474184|0.047320|2.414107|1.931353|1.946268|3.202137|2.034019|1.944777|1.892685|1.921365|2.008582|2.077053|3.752982|13.985217|2.868310|3.146553|4.049376|4.913896|4.013047|3.140227|7.487895|3.295917|13.191296|8.946076|17.536391|8.820252|6.823076|4.517747|0.042781|0.045980|0.040430|0.042716|0.045870|0.055623|0.050241|0.048574|0.053387|0.066985|0.057964|0.052404|0.051235|0.055197|0.077955|0.116225|0.077275|0.091981|0.082102|0.083179|0.213036|0.174147|0.303586|0.500000| |1.489265|1.544420|1.743744|1.781697|2.030730|2.753175|2.094327|0.054778|1.931302|1.824432|2.309908|0.044337|2.301501|1.824660|1.865976|3.140981|1.797419|1.736589|1.666176|1.650744|1.702898|1.782599|3.201869|12.548395|2.497471|2.867469|3.600946|3.748615|3.009353|2.547915|5.189989|2.414946|8.394248|6.888554|8.841253|17.489831|8.866386|6.880701|0.041284|0.043263|0.038283|0.040508|0.042356|0.051807|0.048522|0.045957|0.048716|0.062005|0.056388|0.047888|0.043870|0.046176|0.075142|0.114389|0.062760|0.065858|0.062878|0.062582|0.206233|0.170133|0.173194|0.210867|0.500000| |1.398027|1.465565|1.649062|1.716476|1.962758|2.734107|2.105859|0.054554|1.991064|1.914746|2.434789|0.047025|2.401079|1.878746|1.880805|3.147801|1.902314|1.871709|1.800676|1.760811|1.786942|1.858382|3.274091|13.746332|2.510382|2.877372|3.606808|3.763177|3.029958|2.564302|5.230938|2.447424|8.392793|6.890606|8.843360|17.493110|8.867024|6.880728|0.038686|0.040217|0.036093|0.038788|0.040317|0.048351|0.045769|0.044712|0.047107|0.059036|0.054346|0.052070|0.046817|0.047930|0.075316|0.113982|0.063242|0.066831|0.065177|0.062101|0.170469|0.205876|0.210884|0.173220|0.303739|0.500000| |1.261435|1.312282|1.447486|1.495226|1.661991|2.305921|1.799776|0.047799|1.709854|1.672639|2.118149|0.041360|2.060383|1.597923|1.584593|2.650577|1.705102|1.692096|1.674081|1.669497|1.683726|1.702750|2.993063|12.939365|2.100009|2.278972|2.728844|3.015468|2.631351|2.226021|4.874571|2.358979|6.745314|4.549790|6.871950|8.862055|17.514778|8.860519|0.034650|0.036446|0.032895|0.034694|0.036481|0.042531|0.039766|0.039017|0.041619|0.049819|0.045420|0.046459|0.045286|0.045906|0.058990|0.080154|0.056700|0.067240|0.062074|0.059597|0.111935|0.120397|0.205824|0.170412|0.173836|0.211953|0.500000| |1.327148|1.367908|1.510164|1.537677|1.702578|2.317269|1.792543|0.047949|1.671572|1.611466|2.034439|0.039498|1.996456|1.564252|1.575671|2.646446|1.628404|1.590382|1.564478|1.574901|1.612946|1.643945|2.937644|11.926520|2.092410|2.273991|2.726227|3.007927|2.617835|2.215276|4.841495|2.329931|6.746030|4.549041|6.870956|8.860773|17.512201|8.859922|0.036477|0.038664|0.034525|0.035907|0.037969|0.044824|0.041528|0.039834|0.042715|0.051562|0.046590|0.043418|0.042606|0.044360|0.058905|0.080292|0.056352|0.066252|0.060080|0.060022|0.120446|0.111847|0.170392|0.205822|0.211905|0.173830|0.304050|0.500000| 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