Version2.4 2021-06-08T06:54:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN(CC)c1ccc(cc1)[C@H]2C(=C(C(=O)N2CCOCCO)[O-])C(=O)c3ccc4c(c3)C[C@H](O4)C C40095181 RHF 6-31G(d) (6D,7F) CCN(CC)c1ccc(cc1)[C@H]2C(=C(C(=O)N2CCOCCO)[O-])C(=O)c3ccc4c(c3)C[C@H](O4)C C01[X(C28H33N2O6)] 201 C1 606 OCCOCCN1[C@@H](c2ccc(cc2)N(CC)CC)C(=C(C1=O)[O-])C(=O)c1ccc2c(c1)C[C@H](O2)C OCCOCCN1[C@@H](c2ccc(cc2)N(CC)CC)C(=C(C1=O)[O-])C(=O)c1ccc2c(c1)C[C@H](O2)C CCN(CC)c1ccc(cc1)[C@@H]2N(CCOCCO)C(=O)C(=C2C(=O)c3ccc4O[C@H](C)Cc4c3)[O-] InChIKey=FATUSOOGDJLTRD-CJAUYULYSA-M InChI=1S/C28H34N2O6/c1-4-29(5-2)22-9-6-19(7-10-22)25-24(27(33)28(34)30(25)12-14-35-15-13-31)26(32)20-8-11-23-21(17-20)16-18(3)36-23/h6-11,17-18,25,31,33H,4-5,12-16H2,1-3H3/p-1/t18-,25+/m1/s1 InChI=1/C28H34N2O6/c1-4-29(5-2)22-9-6-19(7-10-22)25-24(27(33)28(34)30(25)12-14-35-15-13-31)26(32)20-8-11-23-21(17-20)16-18(3)36-23/h6-11,17-18,25,31,33H,4-5,12-16H2,1-3H3/p-1/t18-,25+/m1/s1/fC28H33N2O6/h33h/q-1 CCN(CC)c1ccc(cc1)[C@H]2C(=C(C(=O)N2CCOCCO)[O-])C(=O)c3ccc4c(c3)C[C@H](O4)C C01[X(C28H33N2O6)] 201 C01 606 OCCOCCN1[C@@H](c2ccc(cc2)N(CC)CC)C(=C(C1=O)[O-])C(=O)c1ccc2c(c1)C[C@H](O2)C OCCOCCN1[C@@H]([C]2[CH][CH][C]([CH][CH]2)N(CC)CC)[C]([C](=O)C1=O)[C](=O)[C]1[CH][CH][C]2[C]([CH]1)C[C@H](O2)C CCN(CC)[C]1[CH][CH][C]([CH][CH]1)[C@H]2[C](C(=O)[C]3[CH][CH][C]4O[C@H](C)C[C]4[CH]3)C(=O)C(=O)N2CCOCCO InChIKey=POFKUENTQYYYKI-CJAUYULYSA-N InChI=1S/C28H33N2O6/c1-4-29(5-2)22-9-6-19(7-10-22)25-24(27(33)28(34)30(25)12-14-35-15-13-31)26(32)20-8-11-23-21(17-20)16-18(3)36-23/h6-11,17-18,25,31H,4-5,12-16H2,1-3H3/t18-,25+/m1/s1 InChI=1/C28H33N2O6/c1-4-29(5-2)22-9-6-19(7-10-22)25-24(27(33)28(34)30(25)12-14-35-15-13-31)26(32)20-8-11-23-21(17-20)16-18(3)36-23/h6-11,17-18,25,31H,4-5,12-16H2,1-3H3/t18-,25+/m1/s1 4030.3585488723 -1637.6045775 1-A 18921.4151 132 474 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.49932 -20.47330 -20.47026 -20.39399 -20.36782 -20.35152 -15.48599 -15.45949 -11.21520 -11.19800 -11.19368 -11.18960 -11.18893 -11.18859 -11.18773 -11.18484 -11.17735 -11.16991 -11.15988 -11.15501 -11.15464 -11.15435 -11.14966 -11.14932 -11.13885 -11.13543 -11.13429 -11.13289 -11.13274 -11.13236 -11.12974 -11.12645 -11.12575 -11.11677 -11.11582 -11.04294 -1.33507 -1.30572 -1.27308 -1.25932 -1.21431 -1.18988 -1.17758 -1.13943 -1.05541 -1.04712 -0.99808 -0.96818 -0.96688 -0.94687 -0.94464 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29.8367 28.5533 21.4770 23.7217 41.9144 155.1134 7.5505 111.6412 164.7367 1.2855 15.0561 20.7732 9.1681 10.1852 263.7650 6.6108 276.7553 28.9093 17.2079 61.9916 114.7597 319.3040 83.5758 113.9354 39.7152 2.3657 26.1179 60.8362 134.2941 110.1788 252.9531 52.9764 1.4364 20.9753 6.6974 1.5992 1.0340 2.8996 1.0175 5.0438 4.4710 9.6340 4.7827 44.6535 1.3802 1.7519 200.2751 23.9702 132.1730 216.5949 122.1810 167.6424 702.1353 641.4616 57.6833 42.0841 102.9562 119.9314 26.6377 16.2138 35.7170 46.8318 65.8358 39.3687 49.4830 94.5794 94.1442 22.2535 34.1784 30.2826 104.9746 59.4319 51.3719 30.0282 9.4889 54.1767 61.7268 31.4882 33.6383 21.3877 13.2048 9.6428 22.4694 0.6845 34.2095 15.1509 117.7527 1.0136 0.5243 1.2024 1.0826 1.4238 1.7198 1.3307 1.3011 0.7582 2.3704 2.0696 1.9975 0.6917 0.1160 0.2655 0.5933 2.7654 0.2763 0.9745 0.4030 0.5111 0.7058 3.1105 0.7207 1.0300 0.9141 0.6921 0.7650 1.2911 2.0031 2.6261 1.3596 1.1361 2.7332 0.2337 1.1166 0.3589 1.3231 3.2828 1.8061 2.2858 0.6789 2.1940 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173.5756 64.5073 250.4281 76.0512 113.4008 67.8830 115.0142 42.1497 84.8559 36.3746 49.9385 66.6340 23.9114 9.0602 34.6656 41.6669 56.1191 27.6766 41.5188 120.6755 55.9108 93.4868 64.5316 0.6532 0.7424 0.7279 0.7357 0.7354 0.7447 0.7296 0.6992 0.7221 0.7127 0.6221 0.7079 0.6354 0.7344 0.7490 0.7339 0.7172 0.7428 0.5773 0.7319 0.6816 0.4547 0.7386 0.3286 0.5743 0.2289 0.4719 0.2837 0.2461 0.2761 0.1895 0.1756 0.7397 0.7474 0.1423 0.0863 0.7401 0.2546 0.3957 0.6441 0.5823 0.7461 0.7357 0.2619 0.6296 0.5330 0.6134 0.4023 0.7497 0.1778 0.3290 0.4015 0.6186 0.3696 0.5072 0.3553 0.7471 0.5504 0.7119 0.0846 0.1269 0.1411 0.1796 0.6972 0.5454 0.3880 0.7362 0.4020 0.0142 0.1710 0.1995 0.2163 0.7498 0.3445 0.2555 0.4431 0.7489 0.4442 0.7378 0.6227 0.7500 0.1680 0.4286 0.5766 0.4621 0.6686 0.7494 0.7101 0.3300 0.2521 0.1581 0.7490 0.5416 0.6615 0.5852 0.6344 0.4342 0.6809 0.6547 0.4235 0.6358 0.3696 0.7278 0.3061 0.6624 0.7216 0.0804 0.1037 0.7269 0.6850 0.2776 0.1346 0.6725 0.6074 0.3977 0.5722 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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 7 6 6 6 6 6 6 6 6 6 1 6 6 6 8 7 6 6 8 6 6 8 8 6 8 6 6 6 6 6 6 6 6 1 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 1 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 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 1.00783 14310.6090 21210.1336 31303.1617 1.00000 0.00071 -0.00112 -0.00073 0.99987 -0.01626 0.00111 0.01626 0.99987 1 0.00605 0.00408 0.00277 0.12611 0.08509 0.05765 17.97 23.37 31.02 41.93 56.96 65.72 75.68 83.77 87.88 90.43 101.64 106.88 124.70 140.91 156.82 158.40 186.96 205.19 212.84 229.94 270.33 277.25 310.93 321.26 332.38 343.71 357.16 374.90 380.15 408.82 422.67 430.90 466.69 487.62 491.50 505.59 521.13 546.42 570.02 610.46 641.55 661.29 672.19 682.33 689.97 697.99 720.58 759.24 806.16 809.44 814.59 838.36 862.95 864.39 882.28 911.77 949.10 975.68 1006.32 1042.68 1102.25 1116.54 1152.70 1174.87 1206.70 1233.92 1233.96 1236.83 1267.34 1279.21 1301.73 1313.45 1317.76 1320.65 1335.36 1346.90 1361.00 1393.77 1403.37 1422.13 1435.27 1447.58 1452.67 1476.63 1486.90 1505.15 1531.34 1564.35 1571.80 1585.02 1594.42 1613.76 1662.38 1678.63 1707.50 1716.46 1727.42 1729.71 1737.18 1740.06 1749.54 1758.18 1762.17 1782.93 1792.68 1820.94 1823.45 1841.32 1849.98 1872.29 1879.99 1895.87 1906.90 1915.69 1917.32 1947.53 1960.16 1964.27 1971.65 1994.46 2011.40 2015.89 2023.16 2038.26 2058.25 2071.56 2098.81 2105.99 2167.53 2173.94 2183.39 2197.00 2199.00 2200.10 2216.00 2216.83 2239.06 2243.45 2251.56 2261.06 2263.17 2272.85 2279.89 2298.54 2301.81 2318.52 2346.59 2352.47 2352.63 2357.19 2359.02 2362.49 2366.59 2370.14 2381.58 2390.42 2391.08 2396.60 2411.22 2424.84 2437.10 2536.94 2576.16 2596.02 2616.46 2619.11 2789.25 2811.79 4523.53 4524.98 4551.44 4588.05 4589.46 4590.73 4592.68 4597.35 4600.31 4609.58 4612.41 4622.28 4634.50 4666.62 4671.97 4680.34 4691.01 4699.87 4701.19 4710.67 4710.97 4721.63 4729.97 4742.64 4751.43 4818.07 4848.12 4862.85 4873.89 4875.66 4887.11 4894.11 5855.86 0.615618 0.648632 0.649577 0.546708 -1636.988959 -1636.955945 -1636.955001 -1637.057870 3.450243D-04 MUNgauss RevisionA2.1 retrievium 08-Jun-2021 DUDE CCN(CC)c1ccc(cc1)[C@H]2C(=C(C(=O)N2CCOCCO)[O-])C(=O)c3ccc4c(c3)C[C@H](O4)C C40095181 RHF 6-31G(d) (6D,10F) C1 493.233862 |X|Y|Z| 82.881824 103.342076 37.043829 68.205194 21 6 7 8 19 1 1 |36.858105| |12.450447|36.858105| |7.623189|13.154533|53.358707| |5.741155|7.747579|17.944400|36.858105| |4.241796|5.751231|10.368009|12.439505|36.858105| |5.641013|7.665827|18.604339|7.687983|5.718122|36.858105| |4.083889|5.063760|10.637370|6.582614|5.510480|13.666658|36.858105| |3.332017|3.886846|6.994927|4.448622|3.996432|7.863613|13.707233|36.858105| |3.266097|3.697409|6.111317|3.696189|3.310841|6.686210|7.843201|13.797577|36.858105| |3.937954|4.452511|6.997415|3.884289|3.368574|7.842968|6.928347|8.080614|13.691878|36.858105| |5.410411|6.560483|10.617268|5.056356|4.117993|13.545759|7.994950|6.951991|7.859682|13.808709|36.858105| |2.620591|2.867636|4.494793|2.866179|2.653774|4.354204|4.970543|7.498196|12.483853|7.475014|4.978137|36.858105| |2.411836|2.645380|4.205770|2.783713|2.621883|3.971893|4.819993|7.432174|9.028029|5.606928|4.201732|17.477758|0.500000| |2.395136|2.630663|3.949251|2.515758|2.392941|3.653187|3.912365|5.156409|7.380697|6.065263|4.278805|12.513536|0.241233|36.858105| |2.217518|2.360122|3.446837|2.209583|2.081831|3.079809|3.183083|3.945659|5.328074|4.927666|3.648315|7.903945|0.169007|13.489697|36.858105| |2.257024|2.343437|3.458918|2.232415|2.056525|3.096175|3.227043|4.028242|5.400165|4.891798|3.637642|8.091936|0.176230|8.109716|12.379424|36.858105| |2.076861|2.112957|3.074468|2.010415|1.849479|2.672996|2.751424|3.293821|4.125839|3.898060|3.087049|5.439413|0.130868|5.422621|7.729450|15.825747|73.516695| |2.509562|2.629430|4.014640|2.579186|2.339585|3.733427|4.037822|5.393703|7.707988|6.149666|4.345995|13.006585|0.255570|8.172675|8.156780|14.075648|14.929114|53.358707| |2.469490|2.525592|3.897317|2.569101|2.291038|3.539124|3.888428|4.977077|6.047426|4.985972|3.906986|7.494666|0.194081|5.125491|5.119145|7.795395|12.013787|17.991369|36.858105| |2.565178|2.520806|3.785071|2.479954|2.167554|3.326666|3.435889|4.015281|4.744626|4.505560|3.746305|5.097690|0.127524|3.997174|4.218301|6.125281|11.014423|10.418722|12.533620|36.858105| |3.126256|3.006286|4.494342|2.847016|2.412741|3.998264|3.910478|4.368787|5.231741|5.513285|4.701913|4.923662|0.118078|3.896451|3.964574|5.193324|8.745535|8.826380|7.968668|13.612986|73.516695| |3.126662|2.863691|4.103719|2.624504|2.217669|3.441963|3.239342|3.414720|3.901343|4.302499|3.993453|3.665962|0.090264|3.130131|3.257064|4.037335|7.218915|6.145516|5.184467|8.097084|24.344294|36.858105| |3.968405|3.440558|4.741264|2.932041|2.419168|3.867627|3.397983|3.390546|3.819699|4.563672|4.621244|3.368326|0.082329|2.953467|2.991964|3.449625|5.946220|5.203115|4.041289|5.227928|14.445945|12.576370|36.858105| |4.996887|4.168096|5.909870|3.618238|2.840670|4.725914|4.022473|3.791036|4.034170|4.786701|5.324755|3.351189|0.083539|2.859763|2.774972|3.125320|5.239197|4.907578|3.863859|4.628404|12.230283|7.895516|13.625235|73.516695| |2.026940|2.140134|3.057425|1.975464|1.878388|2.650606|2.687986|3.186576|4.046922|3.945836|3.108101|5.278700|0.123378|7.881080|15.749603|7.975253|11.738472|7.493990|3.985784|3.517346|5.926431|2.882843|2.684563|4.378126|73.516695| |2.318506|2.613637|3.886189|2.492392|2.450608|3.513803|3.740496|4.668087|5.903056|5.166793|3.986656|7.270656|0.174336|13.309396|7.567539|5.087467|6.955690|6.967824|3.765349|3.106009|5.531716|2.611807|2.552422|4.481561|10.977711|36.858105| |2.183681|2.446995|3.525602|2.266917|2.249098|3.074730|3.150171|3.689558|4.470876|4.291683|3.504341|5.106537|0.125195|8.080661|6.422241|4.312277|6.236540|5.563369|3.141447|2.714384|4.871390|2.376282|2.354126|4.088026|11.027760|15.689036|73.516695| |2.314332|2.676890|4.097821|2.694410|2.737429|3.692981|4.162472|5.202434|5.711877|4.688380|3.880782|6.205093|0.172450|7.499369|4.939962|3.941037|5.641398|5.817430|3.414919|2.801968|5.014467|2.379293|2.345862|4.254344|7.441377|12.514947|14.593021|36.858105| |2.123897|2.420941|3.768019|2.569072|2.623002|3.344926|3.966583|5.072176|5.097793|3.967981|3.362433|5.831687|0.190122|6.090228|4.333128|3.722962|5.437943|5.625396|3.461643|2.764445|4.804683|2.270821|2.194890|4.007999|6.530989|7.467193|9.783029|13.725698|36.858105| |2.033126|2.334567|3.660315|2.585323|2.731011|3.144272|3.789203|4.514604|4.136730|3.349269|3.012143|4.315592|0.139468|4.251370|3.296790|2.968386|4.502850|4.491375|2.935850|2.413763|4.229852|2.036802|1.987763|3.687710|5.149268|4.962522|7.298859|7.830294|13.672947|36.858105| |2.110266|2.477841|3.866199|2.750676|3.025514|3.242420|3.819179|4.217817|3.799795|3.243670|3.042868|3.688974|0.111709|3.693056|2.921247|2.618234|4.014403|3.925506|2.582546|2.194205|3.939926|1.927957|1.922615|3.600309|4.654736|4.449975|6.918641|6.901584|8.058906|13.857166|36.858105| |2.293190|2.750910|4.218829|2.904300|3.207424|3.547415|3.982606|4.275050|4.015294|3.587695|3.399583|3.759641|0.107280|3.928695|3.074491|2.680138|4.079813|3.972307|2.553612|2.205505|4.039727|1.987165|2.016028|3.765747|4.934456|5.041425|8.097259|7.947345|6.931102|7.894844|13.767689|36.858105| |2.411485|2.874144|4.351066|2.863316|3.017852|3.804331|4.147626|4.686151|4.814559|4.329115|3.886022|4.595425|0.124908|5.182899|3.836994|3.180183|4.718603|4.664605|2.864237|2.453037|4.508400|2.192928|2.222126|4.087448|6.077991|7.592551|11.836067|13.649225|7.948518|6.801249|7.971118|13.845363|36.858105| |2.236967|2.708821|4.059839|2.872121|3.333030|3.220606|3.477114|3.471295|3.218829|3.022267|3.016554|2.954446|0.083301|3.044991|2.511137|2.237488|3.486398|3.281652|2.166054|1.924058|3.558112|1.788398|1.840039|3.461491|4.125644|3.701663|6.293937|4.930247|4.501863|5.208965|8.158451|12.625726|7.216782|36.858105| |2.086396|2.488676|3.804861|2.820995|3.349604|2.970415|3.325335|3.292124|2.931220|2.686730|2.695844|2.711601|0.078829|2.693395|2.252485|2.064184|3.250618|3.058499|2.072991|1.836966|3.364660|1.693385|1.727004|3.276010|3.686044|3.119446|5.184906|4.089237|4.158702|5.320770|8.445718|8.081112|5.122670|12.341636|36.858105| |2.250691|2.720363|4.245114|3.239896|4.019259|3.257319|3.691321|3.506353|3.017234|2.774086|2.852457|2.709356|0.078666|2.615988|2.192572|2.044067|3.223732|3.070274|2.109172|1.878926|3.472315|1.748783|1.794546|3.451603|3.560188|2.946386|4.835382|3.775922|3.838043|4.772167|6.845735|6.602115|4.595234|8.820625|17.527067|0.500000| |1.980935|2.318174|3.592270|2.648218|3.012844|2.891461|3.357355|3.506281|3.104882|2.733351|2.653087|2.971599|0.089371|2.929532|2.419673|2.220178|3.478663|3.307432|2.240486|1.943883|3.498681|1.739791|1.743927|3.288113|3.922150|3.382746|5.467540|4.631734|5.215816|7.849665|14.014172|8.337521|5.339580|8.025108|13.359404|0.260597|73.516695| |1.832547|2.142082|3.189783|2.393237|2.825280|2.428688|2.648162|2.612049|2.378522|2.219773|2.235441|2.244427|0.064994|2.253014|1.940696|1.788324|2.861010|2.607429|1.786044|1.604706|2.924468|1.492626|1.521337|2.868102|3.232556|2.572853|4.394101|3.191016|3.260331|4.011029|5.446719|5.208913|3.810350|7.360473|12.572688|0.246994|14.152968|36.858105| |17.512271|8.799287|7.569242|4.498006|3.633189|4.435238|3.380708|2.865926|2.865530|3.441818|4.477603|2.368430|0.060514|2.217485|2.080836|2.097938|3.462962|3.108802|2.229317|2.327359|4.966247|2.848156|3.603387|7.552510|3.432945|2.166349|3.690016|2.143063|1.957575|1.873738|1.951619|2.132341|2.245967|2.102506|1.948597|0.057855|3.271260|1.733638|0.500000| |17.537879|8.789802|9.298140|6.064035|4.325471|4.970135|3.846587|3.121617|2.977055|3.430119|4.480693|2.424582|0.063076|2.194213|2.036209|2.094344|3.454506|3.180966|2.349185|2.445468|5.223617|2.959414|3.661595|8.374698|3.311225|2.118626|3.534242|2.138959|1.999881|1.938252|2.006718|2.144470|2.217307|2.105035|2.003409|0.060482|3.391125|1.773160|0.301235|0.500000| |17.593553|8.752859|9.341467|5.042665|3.746259|5.896518|4.240784|3.557064|3.593043|4.477427|6.189672|2.862050|0.072085|2.581700|2.413358|2.498821|4.091075|3.807602|2.769116|2.943729|6.627998|3.785898|5.122627|12.163124|3.892578|2.441195|4.057509|2.390840|2.191648|2.065672|2.109401|2.280636|2.438858|2.177770|2.027089|0.060212|3.476322|1.773370|0.300121|0.302665|0.500000| |8.877279|17.534936|12.583708|7.570574|6.375287|5.785579|4.315692|3.374512|3.160010|3.636677|4.902415|2.530796|0.065956|2.356009|2.119609|2.088474|3.372139|3.152392|2.231631|2.213763|4.575541|2.468638|2.894139|6.074593|3.454963|2.381774|4.008976|2.476978|2.259832|2.220677|2.394293|2.655826|2.705728|2.701357|2.503732|0.076719|4.065934|2.183743|0.212849|0.213185|0.173052|0.500000| |8.825475|17.602255|12.476856|5.766971|4.856707|7.266899|4.827579|3.898344|3.882963|4.900618|7.318862|3.014293|0.075837|2.839935|2.540964|2.469852|3.927558|3.723325|2.555261|2.535382|5.363910|2.856617|3.428267|7.029047|4.114177|2.861297|4.821030|2.885808|2.538263|2.410852|2.571126|2.930141|3.141159|2.869748|2.554414|0.076272|4.213025|2.189153|0.214055|0.172989|0.207328|0.306279|0.500000| |4.838333|5.757317|12.489788|17.590807|8.827450|7.231549|7.253092|4.841444|3.847713|3.866760|4.793944|2.989249|0.082049|2.551397|2.239324|2.303334|3.692007|3.683750|2.763767|2.649976|5.369010|2.746440|2.995880|6.659829|3.528626|2.482804|3.959884|2.693221|2.631494|2.656989|2.764718|2.833894|2.787135|2.741052|2.753525|0.087720|4.726431|2.333102|0.106878|0.145028|0.126765|0.149396|0.128194|0.500000| |6.353747|7.563221|12.608816|17.547046|8.881414|5.766891|4.893292|3.617218|3.143403|3.356598|4.289284|2.517924|0.067740|2.241339|2.009634|2.041798|3.315558|3.162836|2.336803|2.307267|4.718098|2.518435|2.855799|6.299136|3.231455|2.211875|3.627669|2.349860|2.244359|2.253454|2.384215|2.510361|2.484605|2.512524|2.472162|0.077792|4.121755|2.153931|0.138334|0.209515|0.145623|0.224163|0.149445|0.306077|0.500000| |4.332589|6.096525|9.320299|8.781518|17.543295|5.059324|4.576925|3.498807|3.035408|3.176098|3.901092|2.469424|0.066978|2.284306|2.003308|1.955593|3.137629|2.978249|2.116572|2.019957|4.002942|2.096155|2.311723|4.752632|3.249568|2.371000|3.939662|2.621142|2.464700|2.549322|2.861425|3.118258|2.949018|3.344486|3.264860|0.106954|5.079751|2.806479|0.106763|0.119914|0.102859|0.210868|0.146313|0.172918|0.212350|0.500000| |3.740064|5.031722|9.306252|8.764107|17.580032|6.010374|6.398567|4.608482|3.679629|3.618892|4.293335|2.925558|0.081173|2.631121|2.240757|2.189206|3.460082|3.413212|2.423931|2.240827|4.382028|2.222358|2.383514|4.896932|3.567231|2.735026|4.407096|3.156986|3.035545|3.216891|3.649206|3.871481|3.541201|4.011993|4.074253|0.141162|6.448952|3.278136|0.090019|0.102576|0.095396|0.145329|0.126704|0.208666|0.173233|0.302050|0.500000| |3.635138|4.508791|7.565235|8.785754|17.516252|4.466049|4.519723|3.467697|2.887669|2.882588|3.394191|2.386433|0.066428|2.154073|1.894461|1.884856|3.043163|2.903029|2.118493|2.010255|3.924652|2.045736|2.205142|4.576832|3.056303|2.196686|3.598138|2.452587|2.401950|2.539663|2.793518|2.876976|2.668714|3.018747|3.154021|0.105681|5.080858|2.738819|0.088358|0.106681|0.090183|0.139070|0.107277|0.213307|0.213373|0.301096|0.300587|0.500000| |3.754614|4.618336|9.620510|7.393151|6.558643|8.854483|17.762831|8.994500|5.640852|4.985823|5.649325|4.089500|0.115630|3.324001|2.758515|2.798842|4.331801|4.652788|3.389861|3.019006|5.938646|2.847490|2.962629|6.237410|4.219775|3.246462|4.950248|3.713173|3.692117|3.734074|3.832761|3.850721|3.774507|3.481884|3.497564|0.111837|6.250655|2.785251|0.087115|0.102314|0.104634|0.115735|0.117802|0.250629|0.146703|0.139470|0.221973|0.152908|0.500000| |2.850678|3.262192|5.690408|3.899536|3.661911|5.633700|8.980937|17.691561|8.954352|5.700003|4.991299|6.959837|0.229520|4.839201|3.727504|3.826804|5.635685|6.889186|4.850739|3.765524|6.859323|3.058847|2.953462|5.776825|5.393567|4.436835|6.210423|5.216729|5.701131|5.255669|4.621958|4.337442|4.538148|3.469208|3.429955|0.101100|6.807120|2.713022|0.069233|0.075795|0.083358|0.081322|0.089988|0.120479|0.089756|0.088550|0.118596|0.091517|0.220337|0.500000| |3.599445|3.896334|5.685566|3.257327|2.877745|5.614655|4.981614|5.711276|8.941600|17.727471|8.984593|6.960321|0.140544|6.479239|5.745215|5.568818|7.824367|8.707972|4.892046|4.610201|9.984920|4.502094|4.755129|8.131051|8.215102|5.296337|8.151744|4.377061|3.649327|3.037906|2.925255|3.248473|3.988873|2.761021|2.435186|0.068736|4.404317|2.050643|0.090580|0.086669|0.114695|0.090097|0.121707|0.089293|0.080819|0.076991|0.084611|0.069596|0.108095|0.124868|0.500000| |6.443366|7.380823|9.639174|4.620537|3.779112|8.826886|5.656951|4.997404|5.642035|9.029058|17.761022|4.089560|0.096772|3.733277|3.342601|3.314574|5.140175|5.126007|3.417402|3.429866|7.735391|3.953764|4.898832|9.822411|5.233810|3.529570|5.762713|3.352835|2.900246|2.621658|2.673318|3.006443|3.416675|2.747608|2.442762|0.071355|4.215913|2.069042|0.151560|0.137014|0.213628|0.146923|0.253387|0.117446|0.115298|0.103488|0.105436|0.087438|0.123545|0.108244|0.219814|0.500000| |2.628508|2.717822|4.334024|2.888268|2.548555|4.008868|4.639399|6.142854|6.818953|5.237895|4.222685|7.400928|0.208662|4.755733|4.373244|5.761602|8.778417|12.637200|17.598912|8.947298|12.990781|4.840400|3.968710|7.202715|6.153037|3.668543|5.380266|3.509511|3.629807|3.146431|2.767784|2.703629|2.977602|2.291751|2.220845|0.063549|4.281181|1.894708|0.064852|0.070112|0.081495|0.066538|0.075171|0.088346|0.071985|0.064286|0.075322|0.065457|0.112270|0.169945|0.132132|0.099331|0.500000| |2.169615|2.216903|3.389510|2.286129|2.075626|2.989242|3.307349|4.133300|4.726317|3.939774|3.213915|6.041767|0.172860|4.549885|4.689147|6.973100|11.934824|12.429914|17.495182|8.990020|10.247261|4.272483|3.373710|5.729284|6.735508|3.446157|5.186709|3.161228|3.309371|2.835305|2.457690|2.387061|2.640828|2.032652|1.967375|0.055241|3.821520|1.713171|0.054981|0.057884|0.066574|0.055294|0.062144|0.068326|0.058213|0.053409|0.061029|0.053983|0.082831|0.117779|0.108393|0.079564|0.301334|0.500000| |2.420379|2.353401|3.541247|2.380647|2.079486|3.030433|3.165009|3.595367|3.972915|3.737501|3.272887|4.163372|0.110163|3.331283|3.452952|4.680768|8.645364|7.625757|8.928374|17.445900|16.561103|7.190622|4.714219|7.722914|5.273927|2.691957|4.224933|2.497804|2.512813|2.246117|2.046009|2.031771|2.214996|1.793340|1.736323|0.049554|3.269580|1.528543|0.061014|0.065339|0.076459|0.058029|0.064717|0.071556|0.062125|0.053570|0.059302|0.054256|0.079497|0.096278|0.103343|0.083853|0.215180|0.221983|0.500000| |2.360517|2.311365|3.388683|2.219733|1.968025|2.925321|2.967953|3.425353|4.097849|4.013735|3.342321|4.586416|0.113498|3.893928|4.403107|6.665204|13.843374|9.462575|8.880554|17.612712|16.563344|7.315898|4.823347|7.175127|6.728889|3.023514|4.797571|2.658224|2.597412|2.255634|2.054808|2.077760|2.326681|1.818916|1.725533|0.048618|3.239261|1.519881|0.060554|0.062162|0.074783|0.056832|0.065366|0.064875|0.057843|0.051561|0.056430|0.050800|0.073021|0.089727|0.119946|0.087375|0.174793|0.213826|0.300035|0.500000| |2.927820|2.657850|3.835245|2.528436|2.134955|3.137537|3.013054|3.132058|3.418473|3.622605|3.459691|3.231057|0.082383|2.751561|2.832346|3.471944|6.294930|5.296457|4.685859|7.103840|16.553031|17.470050|8.870461|12.568862|4.499540|2.334754|3.782653|2.170894|2.108294|1.919882|1.816409|1.850955|2.010275|1.678852|1.609839|0.046356|2.945588|1.427741|0.074035|0.079202|0.096706|0.064569|0.072228|0.074546|0.068136|0.055734|0.059047|0.055429|0.075477|0.079772|0.101823|0.094373|0.125813|0.112345|0.210474|0.173794|0.500000| |2.767817|2.557481|3.597659|2.314817|1.999361|2.987911|2.825489|3.013526|3.493162|3.837166|3.491211|3.438058|0.084401|3.059073|3.316787|4.151155|7.821377|5.887398|4.770946|7.342679|16.514342|17.480514|8.875843|10.129064|5.344017|2.546865|4.181605|2.277413|2.165509|1.931374|1.824123|1.884017|2.090841|1.696365|1.599343|0.045503|2.924655|1.419197|0.071751|0.072394|0.091128|0.062078|0.071991|0.066514|0.061900|0.053028|0.055861|0.051410|0.069552|0.076060|0.116368|0.097557|0.117488|0.113756|0.177683|0.223186|0.299870|0.500000| |3.723885|3.132809|4.193310|2.657555|2.216790|3.278725|2.897408|2.855403|3.141466|3.664479|3.779846|2.833723|0.070552|2.550784|2.609372|2.958634|5.218247|4.326233|3.357399|4.261194|10.305439|8.894954|17.570016|16.890401|4.261696|2.247705|3.743632|2.077421|1.952544|1.786822|1.737891|1.819590|1.986864|1.681683|1.584408|0.045687|2.831303|1.410703|0.097124|0.097205|0.130388|0.074807|0.086201|0.074868|0.073491|0.059399|0.060072|0.056739|0.071934|0.070494|0.106313|0.113511|0.091301|0.080828|0.111704|0.113667|0.215234|0.212809|0.500000| |4.067717|3.611575|4.857336|2.915433|2.439699|4.032768|3.453123|3.477876|4.082727|5.208404|5.181795|3.584505|0.085223|3.234934|3.303527|3.714804|6.292609|5.470298|3.975140|4.886245|12.930328|8.932293|17.524923|16.485715|5.289141|2.794970|4.622658|2.513957|2.301161|2.059394|2.000884|2.129820|2.387427|1.936017|1.789561|0.051355|3.198922|1.571208|0.104503|0.099949|0.145822|0.083529|0.103978|0.080971|0.078067|0.065555|0.067282|0.061050|0.082143|0.082861|0.161052|0.160363|0.106336|0.091665|0.116608|0.130146|0.174179|0.216691|0.300991|0.500000| |5.009291|4.488138|6.781911|4.031648|3.122192|5.847971|4.955912|4.673283|4.985684|5.978268|6.677088|3.930414|0.096976|3.232908|3.060831|3.458679|5.636205|5.662832|4.449824|5.123186|14.098994|7.434844|9.954651|35.624769|4.722366|2.816921|4.483080|2.688493|2.529227|2.311257|2.246274|2.348875|2.563655|2.131413|2.013886|0.059119|3.611231|1.741301|0.114782|0.129274|0.185682|0.100275|0.118541|0.117856|0.105627|0.080358|0.085339|0.077564|0.115582|0.107672|0.149989|0.178339|0.133962|0.099837|0.129744|0.119107|0.178872|0.149263|0.189605|0.230043|0.500000| |2.016801|2.250583|3.484298|2.381544|2.383373|3.086611|3.639837|4.750534|4.950210|3.793477|3.149592|6.365513|0.227168|6.530448|4.770775|4.178829|6.070763|6.278908|3.842782|2.971013|5.000353|2.341021|2.212502|3.991528|7.059755|6.939824|9.099445|8.958343|17.725358|8.928975|5.704551|4.982887|5.657568|3.591808|3.412508|0.089189|7.450907|2.796821|0.051688|0.052996|0.058400|0.058080|0.065111|0.068560|0.058419|0.062021|0.075140|0.061227|0.093921|0.151396|0.098930|0.075967|0.110007|0.105008|0.074957|0.077889|0.060522|0.062405|0.054629|0.064043|0.069798|0.500000| |1.886159|2.134049|3.341601|2.408586|2.536793|2.822577|3.408228|4.003746|3.621155|2.950347|2.680654|3.834304|0.127084|3.675539|2.974283|2.762188|4.270892|4.172135|2.817858|2.318294|4.004118|1.937999|1.873197|3.476549|4.687629|4.044799|6.100305|5.586145|8.816483|17.724104|8.912400|5.623744|4.915383|4.264982|4.682770|0.119480|12.458949|3.758889|0.048327|0.050489|0.053248|0.056667|0.060438|0.069703|0.058878|0.065339|0.081907|0.066845|0.095656|0.133352|0.074825|0.065372|0.084263|0.077259|0.060833|0.060130|0.051311|0.051084|0.047033|0.053327|0.060181|0.213371|0.500000| |2.516822|3.019023|4.418259|2.838357|2.971875|3.804029|3.894052|4.219197|4.513937|4.406220|4.033601|4.208653|0.109170|4.904442|3.784495|3.092770|4.624291|4.437451|2.713448|2.384467|4.453634|2.196227|2.262525|4.133069|6.149351|7.132570|12.718000|8.932388|5.660845|4.916118|5.647092|8.891444|17.729253|6.435712|4.427571|0.112725|7.650473|3.465412|0.065876|0.063352|0.070478|0.078903|0.094365|0.075176|0.069113|0.082700|0.094825|0.072280|0.097022|0.108755|0.116214|0.101514|0.077297|0.068965|0.059511|0.063424|0.055499|0.058486|0.056388|0.068511|0.071471|0.124624|0.106914|0.500000| |2.473247|3.075901|4.564003|3.205330|3.819790|3.535987|3.688520|3.519586|3.254141|3.159346|3.268429|2.884499|0.079699|2.940172|2.445383|2.196654|3.430219|3.234306|2.143452|1.930487|3.626974|1.834891|1.916827|3.636433|4.016897|3.501227|5.990910|4.422433|3.914662|4.291452|5.997245|8.718182|6.356901|17.568513|8.707499|0.225822|10.449545|6.019573|0.064635|0.064207|0.065963|0.086392|0.091327|0.082701|0.077518|0.109742|0.128483|0.093761|0.102352|0.094572|0.079607|0.083449|0.063139|0.055306|0.049933|0.050578|0.047745|0.048141|0.048701|0.056214|0.062146|0.089188|0.100068|0.174712|0.500000| |2.041733|2.428250|3.543929|2.498804|2.850200|2.780615|2.935359|2.960575|2.830469|2.698065|2.671922|2.669542|0.074802|2.825997|2.381804|2.102067|3.304676|3.022126|1.990781|1.782345|3.278353|1.662822|1.708330|3.178151|3.991135|3.467729|6.146981|4.411784|4.005299|4.496265|6.394564|8.826764|6.197311|17.508064|8.705785|0.175570|11.435143|7.172142|0.054010|0.053347|0.055290|0.067543|0.071908|0.066202|0.061942|0.080635|0.091906|0.072683|0.080943|0.082084|0.070124|0.068955|0.057742|0.052299|0.046187|0.047285|0.043373|0.044199|0.043672|0.050065|0.053854|0.091128|0.105237|0.164199|0.301770|0.500000| |1.713609|1.981761|2.919198|2.156742|2.481290|2.243212|2.428548|2.444337|2.274353|2.123573|2.107873|2.191263|0.063401|2.242706|1.943331|1.772820|2.842075|2.553900|1.737307|1.558926|2.822381|1.442024|1.462906|2.731057|3.267447|2.592855|4.496580|3.197445|3.266005|3.979079|5.267439|5.058487|3.789806|6.736378|8.867450|0.173832|12.715212|17.561898|0.045290|0.045875|0.046362|0.055725|0.056733|0.058535|0.054298|0.068726|0.078746|0.066487|0.069717|0.070535|0.055175|0.054472|0.050709|0.046553|0.041161|0.041296|0.038243|0.038331|0.037741|0.042103|0.045926|0.078129|0.103694|0.096006|0.147171|0.209894|0.500000| 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