Version2.2 2021-02-20T16:29:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 05-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1(C(=O)N(C(=O)N1)CCCC(=O)Nc2ccc3c(c2)OC4(O3)CCCCC4)C C22703929 RHF 6-31G(d) (6D,7F) CC1(C(=O)N(C(=O)N1)CCCC(=O)Nc2ccc3c(c2)OC4(O3)CCCCC4)C C01[X(C21H27N3O5)] 162 C1 489 O=C(Nc1ccc2c(c1)OC1(O2)CCCCC1)CCCN1C(=O)NC(C1=O)(C)C O=C(Nc1ccc2c(c1)OC1(O2)CCCCC1)CCCN1C(=O)NC(C1=O)(C)C CC1(C)NC(=O)N(CCCC(=O)Nc2ccc3OC4(CCCCC4)Oc3c2)C1=O InChIKey=NQKCQQQSNWSAHW-UHFFFAOYSA-N InChI=1S/C21H27N3O5/c1-20(2)18(26)24(19(27)23-20)12-6-7-17(25)22-14-8-9-15-16(13-14)29-21(28-15)10-4-3-5-11-21/h8-9,13H,3-7,10-12H2,1-2H3,(H,22,25)(H,23,27) InChI=1/C21H27N3O5/c1-20(2)18(26)24(19(27)23-20)12-6-7-17(25)22-14-8-9-15-16(13-14)29-21(28-15)10-4-3-5-11-21/h8-9,13H,3-7,10-12H2,1-2H3,(H,22,25)(H,23,27)/f/h22-23H CC1(C(=O)N(C(=O)N1)CCCC(=O)Nc2ccc3c(c2)OC4(O3)CCCCC4)C C01[X(C21H27N3O5)] 162 C01 489 O=C(Nc1ccc2c(c1)OC1(O2)CCCCC1)CCCN1C(=O)NC(C1=O)(C)C O=C(N[C]1[CH][CH][C]2[C]([CH]1)OC1(O2)CCCCC1)CCCN1C(=O)NC(C1=O)(C)C CC1(C)NC(=O)N(CCCC(=O)N[C]2[CH][CH][C]3OC4(CCCCC4)O[C]3[CH]2)C1=O InChIKey=NQKCQQQSNWSAHW-UHFFFAOYSA-N InChI=1S/C21H27N3O5/c1-20(2)18(26)24(19(27)23-20)12-6-7-17(25)22-14-8-9-15-16(13-14)29-21(28-15)10-4-3-5-11-21/h8-9,13H,3-7,10-12H2,1-2H3,(H,22,25)(H,23,27) InChI=1/C21H27N3O5/c1-20(2)18(26)24(19(27)23-20)12-6-7-17(25)22-14-8-9-15-16(13-14)29-21(28-15)10-4-3-5-11-21/h8-9,13H,3-7,10-12H2,1-2H3,(H,22,25)(H,23,27)/f/h22-23H 2605.9867154472 -1348.716048 1-A 27792.9242 107 382 489 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.59792 -20.59247 -20.55403 -20.53682 -20.53375 -15.61597 -15.60273 -15.59584 -11.39102 -11.36827 -11.35717 -11.35112 -11.30362 -11.29525 -11.28501 -11.28292 -11.27385 -11.24630 -11.23857 -11.23674 -11.23531 -11.23487 -11.22851 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1.8740 1.6656 1.4418 2.3664 2.4164 3.2123 3.4787 2.1477 2.1626 2.2614 1.7537 1.8860 1.4379 1.3070 1.4428 1.4859 1.6402 2.0639 1.1440 4.7389 1.4349 1.6183 1.6474 1.5559 1.5379 1.5488 1.7289 1.2619 1.8315 1.4402 1.7444 2.5746 3.1232 1.1107 1.0953 1.0466 1.0482 1.1178 1.2401 1.1035 1.0918 1.0997 1.0884 1.0920 1.1053 3.5377 2.0490 6.1686 6.6793 8.9348 11.3414 11.0597 1.0690 1.0615 1.0665 1.0605 1.0368 1.0667 1.0372 1.0678 1.1024 1.0901 1.1021 1.0618 1.1020 1.1043 1.0597 1.1051 1.1034 1.1031 1.1068 1.1040 1.1033 1.1088 1.0932 1.0935 1.0929 1.0780 1.0800 0.0000 0.0002 0.0007 0.0016 0.0034 0.0059 0.0077 0.0152 0.0102 0.0213 0.0205 0.0451 0.0418 0.0940 0.1173 0.0925 0.1153 0.0369 0.1190 0.0578 0.1451 0.1466 0.1684 0.1875 0.3445 0.2253 0.1755 0.3333 0.4672 0.1475 0.2376 0.3825 0.4055 0.4557 0.5123 0.5771 0.3397 0.5952 0.2207 0.6832 0.8539 0.6640 0.7695 1.6114 2.3217 1.1609 0.9001 1.0811 1.9576 1.6436 0.6544 1.0096 3.1154 0.6239 2.2964 3.2165 3.0220 2.1570 2.0190 0.8511 0.7794 0.7126 0.8306 1.2752 1.6712 2.4465 0.8565 0.9400 1.7837 1.4019 2.0034 0.8871 1.8916 1.3981 0.9921 1.5259 1.8808 1.3410 3.3814 1.0214 1.9477 2.3754 3.1600 1.7156 1.5401 1.3869 2.3072 2.4043 3.2207 3.5301 2.2602 2.3334 2.4447 1.9454 2.1277 1.6790 1.5487 1.7166 1.7869 1.9988 2.5206 1.4317 6.2529 1.9061 2.1841 2.2359 2.1400 2.1188 2.1653 2.4447 1.7941 2.6450 2.0963 2.5568 3.8317 4.7279 1.7141 1.6991 1.6335 1.6382 1.7600 1.9548 1.7471 1.7306 1.7526 1.7417 1.7582 1.7896 5.9080 3.6296 12.1414 13.3180 20.4389 26.2248 27.1586 6.3934 6.3760 6.4753 6.4439 6.3033 6.5011 6.3310 6.5337 6.7590 6.7362 6.8450 6.5967 6.8685 6.9334 6.6570 6.9618 6.9870 7.0116 7.0611 7.0950 7.1170 7.2029 7.3432 7.4369 7.7550 9.5441 9.6531 0.4165 0.0575 0.2890 1.8110 6.0748 0.0175 2.3639 2.9133 3.1506 0.2551 2.5449 0.5022 1.3145 5.3233 1.9929 0.0551 4.9371 0.0490 0.2714 1.4591 0.5995 0.4857 3.1170 6.2147 0.7694 0.5411 0.5017 21.1602 2.1564 158.6920 24.6613 45.5294 0.4679 0.5612 2.7271 1.5202 1.4298 6.0743 87.5680 0.9784 4.5284 12.6948 11.4753 0.4198 21.3098 2.0375 0.4849 1.9811 14.1438 0.2718 1.2812 15.5329 2.2566 0.7927 6.7336 12.8558 52.6341 1.0639 36.0060 0.0144 6.6577 8.5477 78.5726 7.4018 6.0288 15.0073 1.5069 0.9538 31.2734 5.5842 6.1617 0.0712 17.9613 14.6612 1.9886 9.3832 4.9287 0.6111 19.4747 2.1677 47.6185 27.0051 119.0273 28.4986 20.3073 6.0741 6.2836 114.1259 4.1179 4.1993 674.0272 152.2181 11.3015 18.4943 0.2315 6.8106 1.1029 1.8341 170.3869 126.1042 73.3965 5.5249 7.0203 5.3324 2.4400 62.1998 0.3031 1.1582 93.3613 57.1663 4.8734 24.8701 96.8841 87.6290 71.7292 397.3111 2.4396 2.1908 0.0241 2.7932 0.7214 132.0840 4.3932 8.0417 8.4804 1.7372 30.4004 1.9907 687.0813 388.6731 70.9939 11.4373 221.2758 1021.4632 116.8864 33.3536 17.6628 13.4070 23.3631 20.3322 22.0989 24.9195 25.3044 15.5614 79.5660 57.4240 6.0108 39.5136 14.5255 27.9077 91.5469 20.7919 38.3201 5.7071 6.8199 26.1328 18.0588 7.5099 6.5286 3.4846 28.4546 74.2570 0.4667 1.0677 1.6853 0.0830 0.6244 0.3378 0.3644 0.6673 0.3094 0.4063 1.2479 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0.4911 0.8101 0.8538 0.7377 0.1937 0.4811 0.5346 0.7021 0.7701 0.8571 0.8557 0.7479 0.8275 0.7959 0.8571 0.8562 0.4290 0.8376 0.7754 0.8527 0.7255 0.6825 0.4660 0.6823 0.4133 0.7526 0.4951 0.4459 0.1055 0.3772 0.8571 0.1173 0.8500 0.0424 0.3604 0.8557 0.2046 0.8571 0.1283 0.5911 0.8571 0.0923 0.7716 0.8551 0.8571 0.8477 0.8492 0.8396 0.8506 0.4479 0.5135 0.3666 0.2456 0.4269 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 6 6 6 8 7 6 8 7 6 6 6 6 8 7 6 6 6 6 6 6 8 6 8 6 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 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 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 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 2639.6054 48618.9878 48991.9171 0.99999 -0.00509 -0.00061 0.00512 0.99626 0.08627 0.00017 -0.08627 0.99627 1 0.03281 0.00178 0.00177 0.68372 0.03712 0.03684 4.89 13.06 22.36 34.34 41.60 58.36 76.39 106.13 131.95 140.66 146.33 169.32 206.47 237.98 289.30 301.92 348.54 354.47 373.22 387.60 399.01 435.38 442.35 463.83 489.08 490.33 505.76 538.82 579.69 586.53 589.84 606.87 684.32 687.46 704.72 723.20 764.77 770.18 777.69 803.57 894.14 911.69 935.72 987.67 992.84 995.01 1016.88 1048.33 1121.13 1136.06 1155.88 1178.99 1195.39 1232.13 1236.02 1249.82 1257.66 1283.02 1320.75 1343.11 1348.11 1358.67 1374.93 1405.22 1406.40 1465.12 1484.80 1489.43 1506.30 1516.99 1529.71 1538.35 1550.73 1588.93 1619.42 1620.20 1627.64 1663.44 1663.67 1711.83 1713.11 1730.22 1750.75 1793.50 1802.40 1838.38 1850.84 1869.74 1876.87 1888.23 1922.89 1947.04 1948.93 1974.23 1990.91 2025.44 2040.40 2044.54 2055.56 2069.20 2071.42 2096.88 2153.13 2160.35 2177.58 2183.67 2198.34 2200.13 2216.29 2228.91 2234.99 2252.54 2261.41 2269.29 2286.67 2306.24 2328.56 2334.57 2341.71 2343.30 2352.01 2353.39 2358.56 2359.97 2366.31 2371.15 2378.42 2385.04 2422.29 2494.77 2629.72 2646.82 2835.01 2850.30 2937.31 4584.05 4593.91 4618.67 4620.44 4621.69 4627.46 4631.00 4636.59 4641.42 4659.52 4671.44 4672.12 4679.70 4696.75 4697.94 4704.62 4716.86 4725.73 4734.40 4751.80 4760.59 4777.49 4858.08 4888.29 4993.08 5577.32 5603.80 0.503072 0.528867 0.529811 0.440207 -1348.212976 -1348.187181 -1348.186237 -1348.275841 3.005333D-04 MUNgauss RevisionA2.1 retrievium 20-Feb-2021 DUDE CC1(C(=O)N(C(=O)N1)CCCC(=O)Nc2ccc3c(c2)OC4(O3)CCCCC4)C C22703929 RHF 6-31G(d) (6D,10F) C1 401.195071 |X|Y|Z| 31.512350 27.918689 161.308513 52.160814 24 6 7 8 19 3 2 |36.858105| |12.437716|36.858105| |7.613590|12.463147|36.858105| |6.222888|7.840390|15.989891|73.516695| |5.646447|8.160684|13.956673|14.831766|53.358707| |5.637301|8.112410|8.341811|9.869764|18.644269|36.858105| |4.304339|5.437121|5.564672|7.489441|11.291519|15.969502|73.516695| |7.683627|13.110586|8.322207|9.809927|11.777288|14.056556|14.771801|53.358707| |4.077855|5.080678|7.631081|11.642132|17.840703|7.607937|11.722721|7.204306|36.858105| |3.794999|4.212735|5.718496|9.409669|10.486021|5.732472|9.587356|5.895870|12.479581|36.858105| |2.923310|3.186994|4.067727|7.119623|6.793990|4.078797|7.235196|4.442149|7.560784|12.489630|36.858105| |2.629343|2.729385|3.301962|5.849081|5.178920|3.306638|5.924327|3.777512|4.903341|7.515552|12.510079|36.858105| |2.779854|2.785367|3.305091|5.841774|5.040336|3.270731|5.783044|3.820136|4.438851|6.847563|7.978140|15.909276|73.516695| |2.218521|2.308336|2.723793|4.860710|4.196595|2.751931|5.003576|3.203981|3.865911|5.084329|7.899022|13.985030|14.950529|53.358707| |1.966669|2.008589|2.305629|4.129121|3.460406|2.324436|4.228068|2.777278|3.025439|3.788252|5.023731|7.597533|11.538369|18.364654|36.858105| |1.958076|1.955472|2.209457|3.955375|3.260411|2.214831|4.003235|2.689559|2.753144|3.463909|4.198824|6.255048|11.654818|10.518081|13.772296|36.858105| |1.728923|1.716466|1.905315|3.415844|2.773869|1.910332|3.455386|2.357454|2.289217|2.760989|3.215755|4.286232|7.946240|6.937490|7.875737|13.580894|36.858105| |1.575517|1.580534|1.750784|3.142511|2.550815|1.761459|3.199468|2.175862|2.111461|2.476193|2.916318|3.687838|6.452672|6.233131|6.928148|8.027178|13.984805|36.858105| |1.580618|1.608791|1.798214|3.228836|2.644370|1.815851|3.312155|2.222365|2.228088|2.588529|3.156999|3.917836|6.440048|7.141736|8.041132|6.955451|7.979153|13.805138|36.858105| |1.740239|1.790377|2.033939|3.649377|3.033952|2.057922|3.760846|2.479781|2.626606|3.106841|4.012704|5.142604|7.862452|10.858792|13.534551|7.863029|6.781091|7.932199|13.971679|36.858105| |1.427684|1.456763|1.614235|2.899668|2.359925|1.631823|2.979097|2.012790|1.967081|2.222444|2.650965|3.113894|5.141392|5.372519|5.194250|4.676397|5.417194|8.546802|14.112098|7.799842|73.516695| |1.342858|1.356671|1.487287|2.671175|2.154124|1.500163|2.731147|1.869835|1.764987|1.988087|2.301549|2.695582|4.611775|4.417371|4.177845|4.178650|5.316512|8.491159|8.486263|5.318034|23.662927|36.858105| |1.420510|1.421507|1.557222|2.795838|2.250292|1.566518|2.844025|1.955089|1.836045|2.104745|2.417564|2.920304|5.145020|4.719915|4.657884|5.170680|7.736019|14.029287|8.536234|5.398540|14.877720|13.421368|73.516695| |1.261389|1.275818|1.384837|2.467021|2.011975|1.418717|2.603120|1.772217|1.634477|1.821116|2.076377|2.382858|4.090996|3.815030|3.443822|3.442639|4.188798|5.763327|5.768013|4.196481|14.068394|12.532039|14.081119|36.858105| |1.181640|1.202870|1.303763|2.324597|1.892126|1.335568|2.451606|1.671438|1.535943|1.682365|1.914338|2.136743|3.621169|3.397853|2.936032|2.829726|3.238281|4.169282|4.531395|3.598823|11.314419|7.545565|8.992186|12.437053|36.858105| |1.126118|1.144059|1.239967|2.226277|1.783327|1.252696|2.281508|1.577611|1.441803|1.569057|1.774683|1.964696|3.343653|3.087224|2.633574|2.556811|2.916694|3.672808|3.909693|3.169095|9.463964|6.461503|7.994908|7.529544|12.436785|36.858105| |1.184419|1.202960|1.313967|2.376649|1.883274|1.309773|2.370045|1.647644|1.532005|1.675378|1.913669|2.134130|3.617228|3.390838|2.929833|2.824063|3.232574|4.162839|4.523192|3.591222|11.315250|7.546117|8.992740|6.444529|7.536771|12.436764|36.858105| |1.264779|1.275932|1.397098|2.529554|2.001348|1.387903|2.506060|1.743923|1.629743|1.812272|2.075540|2.379254|4.085342|3.805139|3.433858|3.432477|4.176479|5.746348|5.751164|4.184483|14.070019|12.533914|14.082985|7.532825|6.444228|7.529198|12.436919|36.858105| |7.526712|12.459001|7.587991|11.177656|7.544922|5.487884|7.423925|10.484048|4.001561|3.299116|2.669319|2.307048|4.125793|2.734934|1.770721|1.717216|1.528630|1.424501|1.455060|1.606930|2.369330|1.244254|2.299871|1.173604|1.115487|1.067068|1.120878|1.179896|36.858105| |17.593546|8.821354|6.886651|11.726098|6.644841|4.522302|6.363962|7.615082|3.756765|3.541433|2.800596|2.543608|4.788240|2.939960|1.926441|1.923753|1.705529|1.555132|1.557164|1.708618|2.504352|1.327902|2.498243|1.241359|1.163661|1.115268|1.178195|1.259065|6.879341|0.500000| |17.549958|8.820898|5.523976|8.308517|6.148855|4.853220|6.964532|9.297476|3.411100|3.195260|2.547422|2.327153|4.367542|2.720160|1.794980|1.795132|1.603430|1.467491|1.467961|1.602588|2.372274|1.261906|2.369691|1.192935|1.119865|1.067474|1.117324|1.189870|6.861229|0.300641|0.500000| |17.567704|8.774596|6.981950|10.193595|7.871025|5.802163|8.090739|9.579543|4.294874|4.258234|3.192126|2.917950|5.620124|3.287725|2.137296|2.148579|1.881207|1.695161|1.690364|1.865048|2.691995|1.425091|2.700118|1.336437|1.243327|1.180153|1.241392|1.334040|5.478919|0.300609|0.300816|0.500000| |6.766106|8.763486|5.859989|7.709619|8.276879|9.341753|13.065812|26.070224|4.258831|3.688921|2.885408|2.523527|4.572978|2.953991|1.909088|1.863455|1.648901|1.523958|1.549180|1.713865|2.505195|1.316545|2.448413|1.255696|1.184686|1.116842|1.160552|1.227055|6.417899|0.137766|0.192139|0.175748|0.500000| |3.524568|4.391454|5.797248|8.823228|12.644805|7.276121|13.022263|6.694941|17.620633|8.806265|6.868707|4.537384|7.098000|5.121446|2.953171|2.645920|2.219011|2.074629|2.214097|2.616761|3.502456|1.757782|3.219717|1.642950|1.553855|1.449936|1.530147|1.614997|3.629224|0.089350|0.085104|0.101918|0.113942|0.500000| |3.790058|4.697572|7.282033|12.966212|12.655351|5.764586|8.824085|6.164937|17.613061|8.806278|6.854215|4.544855|7.210844|5.060748|2.930770|2.645570|2.217790|2.065127|2.193430|2.583955|3.465293|1.744401|3.205416|1.604640|1.517072|1.436267|1.537006|1.628310|3.949208|0.101225|0.088211|0.107203|0.102658|0.301311|0.500000| |4.155089|4.380829|6.070388|10.692315|9.544041|5.135417|8.122594|5.724749|8.867787|17.593324|8.879153|6.918205|12.743460|6.390116|3.653840|3.469381|2.775703|2.453332|2.517654|2.970088|3.837926|1.954232|3.716329|1.776209|1.633443|1.536576|1.650496|1.798223|3.388796|0.110837|0.094712|0.132318|0.099506|0.173480|0.211949|0.500000| |3.824191|4.141766|5.146104|8.021071|9.573013|6.132181|11.039068|6.156665|8.881522|17.580953|8.870011|6.866328|12.122612|6.493740|3.689139|3.464081|2.774225|2.465775|2.544831|3.014105|3.882849|1.970605|3.734100|1.826196|1.677509|1.551682|1.640342|1.778524|3.187201|0.096039|0.091129|0.123178|0.109891|0.211897|0.173599|0.303385|0.500000| |2.684737|2.976348|3.677907|6.268689|6.305375|3.995784|7.459199|4.287026|6.900623|8.815205|17.514000|8.902329|10.813972|9.975458|4.792204|3.889041|3.055882|2.846736|3.151350|4.037052|4.769525|2.302774|4.228919|2.107957|1.961794|1.800397|1.922035|2.058853|2.536192|0.070637|0.066150|0.080413|0.078294|0.205732|0.169651|0.173503|0.211471|0.500000| |2.793045|3.063903|3.979098|7.330657|6.305996|3.680812|6.339797|4.136344|6.911140|8.815867|17.499683|8.966546|11.205367|9.572551|4.702302|3.886679|3.051834|2.822832|3.095040|3.925219|4.681006|2.274012|4.197285|2.030005|1.890712|1.775505|1.936721|2.087321|2.636724|0.075966|0.067505|0.082811|0.074311|0.170481|0.205618|0.211300|0.173387|0.303457|0.500000| |2.134041|2.260038|2.676641|4.778138|4.156560|2.720280|4.975245|3.150154|3.905784|4.828060|7.769538|9.491711|10.896876|26.077844|9.343113|5.754886|4.273455|4.112590|4.981425|7.722422|6.993829|3.149804|5.740896|2.748901|2.512695|2.284276|2.507147|2.741665|1.991499|0.057679|0.053537|0.063671|0.059136|0.108819|0.106312|0.119850|0.123103|0.226707|0.207465|0.500000| |2.144125|2.113471|2.389180|4.266386|3.514619|2.382779|4.276458|2.896991|2.937541|3.814111|4.436058|6.858595|15.142960|9.563522|8.954885|17.840109|8.893934|5.702328|5.004372|5.620557|6.588682|3.421428|7.388925|2.926029|2.455714|2.245346|2.451031|2.918130|1.831267|0.058452|0.054326|0.066267|0.055685|0.077030|0.077462|0.108897|0.107540|0.110040|0.111201|0.143676|0.500000| |1.695833|1.663372|1.826107|3.271969|2.632186|1.825673|3.289988|2.277604|2.132656|2.554620|2.869717|3.719452|7.189448|5.618070|5.617457|8.837173|17.742299|8.952339|5.658079|4.906016|7.773826|4.619340|12.135063|3.819493|2.964750|2.712745|2.960319|3.810032|1.482446|0.046570|0.043903|0.051386|0.044493|0.057131|0.057266|0.072306|0.071955|0.075305|0.075573|0.097738|0.213860|0.500000| |1.711648|1.783944|2.035247|3.651477|3.053867|2.066363|3.788678|2.477927|2.675153|3.082072|4.051455|4.800602|7.054047|9.932030|8.761897|5.596008|4.904662|5.644761|8.965376|17.722079|12.294981|4.639028|7.776514|3.842625|3.509976|3.108503|3.503115|3.833667|1.612518|0.046631|0.043789|0.050542|0.047446|0.075177|0.073814|0.080414|0.082015|0.117502|0.112749|0.234753|0.123386|0.106735|0.500000| |1.215380|1.221820|1.318265|2.348853|1.904319|1.347351|2.466024|1.693867|1.532583|1.705073|1.915132|2.193230|3.828148|3.431001|3.058246|3.166569|3.918157|5.089700|4.672899|3.543577|10.191770|8.994478|13.097602|17.537624|8.807859|6.761142|5.657285|6.801376|1.125459|0.033272|0.032031|0.035778|0.033445|0.042620|0.041757|0.046516|0.047661|0.053610|0.051943|0.067949|0.076447|0.104197|0.089586|0.500000| |1.308781|1.325639|1.437545|2.544471|2.104313|1.491568|2.756160|1.854040|1.712773|1.918472|2.191585|2.530243|4.337975|4.067557|3.686318|3.674670|4.412437|5.915415|5.965218|4.457229|13.038852|8.945608|12.796523|17.561193|8.758722|5.476486|4.846319|5.521520|1.213689|0.035597|0.034391|0.038649|0.036546|0.048064|0.046329|0.051582|0.053930|0.062346|0.058732|0.081110|0.086465|0.110467|0.112431|0.302404|0.500000| |1.131066|1.150780|1.239374|2.200959|1.798891|1.278723|2.354880|1.604708|1.450573|1.579806|1.777819|1.966344|3.350891|3.076986|2.608541|2.537094|2.869121|3.536898|3.736977|3.096438|8.529760|5.510311|7.447162|8.851998|17.544745|8.804809|5.488859|4.838056|1.069325|0.030875|0.029894|0.033025|0.031720|0.040902|0.039660|0.042532|0.044019|0.050809|0.048523|0.063165|0.062230|0.074368|0.084309|0.214337|0.210245|0.500000| |1.215485|1.245396|1.355856|2.415399|1.978280|1.393655|2.565449|1.734806|1.618294|1.767085|2.033533|2.253511|3.758178|3.635556|3.111849|2.894943|3.209427|4.115294|4.819624|3.941332|12.427632|6.769643|8.225021|8.859738|17.537355|8.845442|6.786358|5.660302|1.155000|0.033195|0.031931|0.035480|0.034073|0.045740|0.044459|0.047296|0.048781|0.058478|0.055925|0.076037|0.069386|0.079837|0.110822|0.173508|0.214514|0.303383|0.500000| |1.087205|1.099023|1.185362|2.127796|1.697761|1.196073|2.174934|1.513526|1.362749|1.483344|1.659692|1.839638|3.168795|2.849048|2.424403|2.410267|2.783741|3.428569|3.468070|2.830309|7.884450|5.686720|7.666282|6.780734|8.843735|17.494687|8.843737|6.780401|1.025818|0.029939|0.028701|0.031662|0.029841|0.037947|0.037646|0.040552|0.040888|0.046518|0.045988|0.057948|0.059479|0.073683|0.075898|0.198840|0.138867|0.214631|0.173675|0.500000| |1.079383|1.100418|1.190648|2.137381|1.711239|1.203802|2.193325|1.518266|1.381277|1.488614|1.678044|1.830249|3.100096|2.855836|2.381591|2.284548|2.539495|3.100688|3.355345|2.841555|7.807250|4.840847|6.420826|5.489210|8.819196|17.540029|8.819308|5.489099|1.031290|0.029695|0.028467|0.031301|0.029875|0.038726|0.038325|0.040390|0.040818|0.047520|0.046817|0.059327|0.056360|0.065755|0.079325|0.138949|0.122891|0.211326|0.214715|0.303317|0.500000| |1.135220|1.150914|1.254377|2.277465|1.786001|1.240824|2.235285|1.569320|1.444943|1.569996|1.776908|1.962883|3.345584|3.068136|2.601154|2.530162|2.862380|3.530216|3.729156|3.088209|8.530362|5.510687|7.447716|4.838248|5.488853|8.804779|17.544679|8.852150|1.077436|0.031480|0.029787|0.032945|0.030716|0.039960|0.040454|0.043201|0.042563|0.049308|0.050266|0.062971|0.062062|0.074214|0.084099|0.126767|0.106756|0.123086|0.139264|0.214631|0.211328|0.500000| |1.218657|1.245499|1.367908|2.476907|1.967678|1.363040|2.468148|1.706980|1.613465|1.758599|2.032688|2.250290|3.753547|3.626537|3.104098|2.888572|3.203584|4.108768|4.809240|3.930847|12.428644|6.769985|8.225402|5.660422|6.786325|8.845429|17.537254|8.859786|1.161280|0.033654|0.031851|0.035419|0.033296|0.044922|0.045143|0.047860|0.047545|0.057056|0.057555|0.075828|0.069243|0.079719|0.110528|0.131121|0.127120|0.139264|0.199633|0.173675|0.214718|0.303382|0.500000| |1.315165|1.325866|1.460812|2.663150|2.084079|1.433136|2.571882|1.800780|1.703693|1.901266|2.189974|2.523071|4.326765|4.047626|3.666019|3.654122|4.388499|5.884995|5.934423|4.433403|13.042043|8.947396|12.799420|5.521719|4.846301|5.476336|8.758418|17.561994|1.225447|0.036521|0.034232|0.038524|0.035054|0.046576|0.047590|0.052773|0.051351|0.059669|0.061860|0.080709|0.086025|0.109973|0.111949|0.140227|0.124761|0.106755|0.127123|0.138861|0.122889|0.210234|0.214517|0.500000| |1.218542|1.221926|1.329281|2.404984|1.894927|1.319793|2.379721|1.668094|1.528517|1.697507|1.914451|2.190306|3.823329|3.423508|3.050979|3.158338|3.907669|5.077543|4.663577|3.536055|10.192472|8.995312|13.099336|6.801437|5.657048|6.760866|8.807911|17.537672|1.131242|0.033733|0.031951|0.035716|0.032713|0.041959|0.042319|0.047049|0.046513|0.052514|0.053233|0.067801|0.076257|0.103938|0.089433|0.200782|0.140225|0.126762|0.131119|0.198828|0.138946|0.214343|0.173510|0.302393|0.500000| 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