Version2.1 2020-12-15T02:57:05Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(ccc1NC(=O)C[NH+]2CC[C@@]3(CCCC[C@@H]3[C@H]2c4ccc5c(c4)OCO5)O)[N+](=O)[O-] C13786279 RHF 6-31G(d) (6D,7F) c1cc(ccc1NC(=O)C[NH+]2CC[C@@]3(CCCC[C@@H]3[C@H]2c4ccc5c(c4)OCO5)O)[N+](=O)[O-] C01[X(C24H28N3O6)] 177 C1 551 O=C(Nc1ccc(cc1)[N+](=O)[O-])C[NH+]1CC[C@]2([C@@H]([C@H]1c1ccc3c(c1)OCO3)CCCC2)O O=C(Nc1ccc(cc1)[N+](=O)[O-])C[NH+]1CC[C@]2([C@@H]([C@H]1c1ccc3c(c1)OCO3)CCCC2)O O[C@@]12CCCC[C@@H]1[C@H]([NH+](CC2)CC(=O)Nc3ccc(cc3)[N+]([O-])=O)c4ccc5OCOc5c4 InChIKey=CBFSPFZKZDRLMV-CTUHWIOQSA-O InChI=1S/C24H27N3O6/c28-22(25-17-5-7-18(8-6-17)27(30)31)14-26-12-11-24(29)10-2-1-3-19(24)23(26)16-4-9-20-21(13-16)33-15-32-20/h4-9,13,19,23,29H,1-3,10-12,14-15H2,(H,25,28)/p+1/t19-,23-,24-/m1/s1 InChI=1/C24H27N3O6/c28-22(25-17-5-7-18(8-6-17)27(30)31)14-26-12-11-24(29)10-2-1-3-19(24)23(26)16-4-9-20-21(13-16)33-15-32-20/h4-9,13,19,23,29H,1-3,10-12,14-15H2,(H,25,28)/p+1/t19-,23-,24-/m1/s1/fC24H28N3O6/h25-26H/q+1 c1cc(ccc1NC(=O)C[NH+]2CC[C@@]3(CCCC[C@@H]3[C@H]2c4ccc5c(c4)OCO5)O)[N+](=O)[O-] C01[X(C24H28N3O6)] 177 C01 551 O=C(Nc1ccc(cc1)[N+](=O)[O-])C[NH+]1CC[C@]2([C@@H]([C@H]1c1ccc3c(c1)OCO3)CCCC2)O O=C(N[C]1[CH][CH][C]([CH][CH]1)[N]([O])[O])C[NH]1CC[C@]2([C@@H]([C@H]1[C]1[CH][CH][C]3[C]([CH]1)OCO3)CCCC2)O [O]N([O])[C]1[CH][CH][C]([CH][CH]1)NC(=O)C[NH]2CC[C@]3(O)CCCC[C@@H]3[C@H]2[C]4[CH][CH][C]5OCO[C]5[CH]4 InChIKey=WDMBOTUEKDDUOI-CTUHWIOQSA-N InChI=1S/C24H28N3O6/c28-22(25-17-5-7-18(8-6-17)27(30)31)14-26-12-11-24(29)10-2-1-3-19(24)23(26)16-4-9-20-21(13-16)33-15-32-20/h4-9,13,19,23,26,29H,1-3,10-12,14-15H2,(H,25,28)/t19-,23-,24-/m1/s1 InChI=1/C24H28N3O6/c28-22(25-17-5-7-18(8-6-17)27(30)31)14-26-12-11-24(29)10-2-1-3-19(24)23(26)16-4-9-20-21(13-16)33-15-32-20/h4-9,13,19,23,26,29H,1-3,10-12,14-15H2,(H,25,28)/t19-,23-,24-/m1/s1/f/h25H 3384.6913548913 -1537.3505965 1-A 21440.2562 120 431 551 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.71252 -20.71089 -20.69676 -20.67644 -20.66813 -20.66796 -15.92402 -15.83892 -15.75552 -11.52196 -11.45192 -11.45057 -11.44268 -11.43407 -11.41697 -11.41642 -11.41508 -11.41461 -11.37988 -11.37715 -11.36668 -11.36508 -11.36501 -11.36454 -11.35741 -11.35712 -11.35479 -11.35280 -11.34432 -11.34013 -11.32723 -11.32288 -11.32165 -1.70276 -1.60226 -1.56941 -1.49442 -1.49152 -1.48686 -1.48011 -1.41216 -1.29418 -1.28457 -1.25215 -1.21695 -1.19828 -1.17780 -1.15029 -1.14347 -1.14270 -1.13327 -1.11452 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4.7087 5.1014 5.3857 3.3481 4.0114 4.7061 5.2233 5.0535 2.9613 5.5358 2.0935 2.6593 5.5683 3.8552 2.3297 1.7239 1.3246 1.9503 2.4110 8.0916 1.6412 1.4723 1.6079 2.9062 3.3888 2.6862 1.3855 3.0794 2.3204 1.9415 1.3742 2.8985 5.9589 1.9352 1.3496 1.9256 2.5311 2.5028 4.9189 2.5031 2.0228 1.8728 2.2048 1.7869 1.8202 2.4323 2.5102 1.5329 2.2245 1.2593 1.8711 2.9120 1.8422 1.6610 2.1757 1.6442 1.3801 1.3673 1.3445 1.4683 1.4003 1.4643 1.5549 1.3553 1.3625 1.3878 1.4248 1.5597 2.3772 1.4575 1.4929 1.4622 1.5189 1.3886 1.5014 1.6057 1.4658 1.4913 2.0964 1.5098 1.4319 1.2872 2.7357 1.0912 1.0937 1.1937 2.3981 1.5245 1.0871 1.1056 1.1025 3.2236 2.4621 1.1534 2.7080 4.0908 5.7861 5.0882 6.8361 11.6033 8.5270 1.0736 1.0621 1.0877 1.0763 1.0745 1.0738 1.0772 1.0851 1.0942 1.1029 1.0660 1.0594 1.0638 1.0906 1.1005 1.1103 1.1058 1.1163 1.0911 1.0925 1.0935 1.0957 1.0933 1.0949 1.0941 1.0769 1.0786 1.0670 0.0004 0.0007 0.0018 0.0045 0.0059 0.0093 0.0161 0.0153 0.0189 0.0134 0.0210 0.0791 0.0747 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6.7125 6.8093 6.8687 6.9511 6.7557 6.7361 6.7657 6.9795 7.0523 7.2911 7.3021 7.4392 7.2768 7.2908 7.3927 7.5256 7.6145 7.6416 7.7658 8.3744 9.4203 10.5028 1.0910 0.4002 1.4759 2.0702 0.9320 1.7597 0.2746 2.8886 5.8455 9.1880 2.8208 2.0285 1.4000 1.3578 0.8520 3.5134 3.4655 2.0376 1.7458 5.5312 5.7502 14.1266 2.5462 122.5736 3.8961 3.8411 0.1634 7.7296 3.0687 7.1403 31.6252 20.6425 0.1238 4.0494 0.4007 4.4961 0.7017 17.2838 28.0598 16.6837 2.7628 3.1211 47.5015 1.8626 1.7261 9.8640 1.6863 0.1422 8.3202 6.1392 18.0534 5.8916 1.9762 4.2936 1.2195 1.7192 3.2465 60.0852 5.4649 10.0066 3.6281 12.9707 27.5555 46.1361 7.5272 6.9131 10.2949 76.8863 48.8986 34.1811 8.1213 5.2075 36.2669 38.6841 1.0298 6.0024 10.7786 3.1081 0.3115 1.6329 59.0445 50.4767 0.0188 5.6957 50.5253 12.5564 115.6565 9.5122 7.7530 4.9994 18.8210 81.6026 35.4070 20.9527 35.7893 23.1494 5.7190 20.5663 49.3364 9.9062 76.6774 34.8307 5.3687 74.0568 28.6174 18.2834 8.0113 68.9894 61.0925 137.9620 100.2533 10.2426 5.8049 3.4828 59.2886 107.9930 213.7376 12.7988 12.4685 29.2936 47.3232 6.1834 11.2779 7.4156 1.5573 6.0566 249.5243 4.2090 31.5732 109.4137 143.8057 3.1753 0.3593 53.8935 387.9306 64.0057 6.6564 9.8645 5.4919 375.9021 2.0882 3.0203 503.5994 209.6488 16.2434 17.9259 1.3245 459.3624 246.9707 35.1706 30.6768 6.4188 14.6205 20.1441 54.2129 28.4219 22.0912 21.3590 37.7675 5.6599 100.7397 11.3564 17.7244 23.5903 7.4204 7.4260 32.4525 9.2116 10.5981 1.5386 0.2273 3.2334 4.1060 2.7870 90.2337 44.8355 74.0960 3.9475 8.4917 0.9993 0.9747 0.8828 1.1675 0.1181 0.7318 2.0153 0.2368 0.3065 1.1167 0.5563 0.3751 0.4905 0.8259 3.0159 2.1619 1.2942 0.8523 1.0314 0.7216 0.9037 2.6271 0.3302 2.2269 2.4617 1.3043 3.9779 2.0224 1.9065 0.9171 0.0169 1.6148 0.7015 0.8530 1.3303 1.0168 0.3043 3.0568 1.9126 1.4899 3.1811 2.6207 3.6228 2.2754 4.6661 7.0182 2.2999 1.8959 0.4862 1.2654 3.1562 0.4552 12.1144 4.0695 4.1179 7.0390 6.4166 3.1456 10.1989 6.5285 3.6772 3.3790 2.0197 4.9776 2.8773 15.7023 0.1868 2.3514 1.3886 2.6937 8.0193 5.6894 2.3295 5.9860 2.9688 1.6174 2.9688 1.5760 0.7862 5.0044 1.6228 9.6038 4.6292 2.7209 0.9882 7.6106 5.2515 1.0328 10.8735 4.5719 1.3438 33.4857 35.6783 1.3976 4.2452 4.2351 6.1074 9.4674 0.4641 5.8818 13.4494 3.7176 6.1459 6.8645 6.8040 55.8506 10.6373 14.1017 17.9943 10.3877 12.8075 5.9435 5.6421 5.4348 18.9411 3.4268 2.0331 2.3693 2.5047 7.7746 1.4278 0.4936 5.6258 5.4156 3.3308 10.2080 4.3117 6.8017 19.0265 15.8363 23.7194 17.5164 92.0597 79.0635 2.5116 9.3980 2.7701 1.4866 6.0133 27.4515 20.6016 58.5147 76.1238 159.3522 12.0279 1.0002 44.1781 48.5398 65.0455 48.6477 44.8048 45.7192 164.5991 74.1223 133.7686 101.9828 75.8963 10.2486 98.9334 209.9132 49.0072 52.9823 53.7210 46.6612 117.4101 40.4984 64.1988 45.3639 102.9136 52.2697 68.8627 50.7994 21.5400 49.2499 110.8067 0.7458 0.7499 0.7499 0.7475 0.7484 0.7414 0.7462 0.7362 0.7348 0.7499 0.2875 0.4224 0.6087 0.7398 0.6074 0.0852 0.3189 0.7059 0.6938 0.7481 0.5790 0.3233 0.6414 0.7468 0.4970 0.7499 0.2031 0.4321 0.6303 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0.8374 0.5153 0.3166 0.6393 0.6590 0.5891 0.8122 0.5399 0.8336 0.8094 0.4044 0.4608 0.3712 0.4940 0.7669 0.2838 0.2867 0.8536 0.1930 0.4807 0.7191 0.5345 0.3700 0.1174 0.2642 0.7461 0.7357 0.7049 0.7964 0.4928 0.4827 0.4557 0.4194 0.4774 0.4346 0.3177 0.2569 0.2423 0.4685 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 6 6 6 6 6 6 7 6 8 6 7 1 6 6 6 6 6 6 6 6 1 6 1 6 6 6 6 6 6 8 6 8 8 7 8 8 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 14.00307 12.00000 15.99491 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 15.99491 14.00307 15.99491 15.99491 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 10310.4856 30769.9990 38212.9163 0.99993 0.01199 0.00056 -0.01199 0.99993 0.00240 -0.00053 -0.00240 1.00000 1 0.00840 0.00281 0.00227 0.17504 0.05865 0.04723 14.68 21.23 35.54 52.07 66.51 72.65 86.09 94.45 111.09 127.42 130.58 204.75 219.39 225.07 245.49 279.84 316.78 326.62 360.23 402.24 410.88 439.99 451.21 467.21 495.28 499.75 543.91 554.10 584.29 587.70 624.02 647.48 661.91 677.14 683.59 717.12 722.50 741.76 784.36 801.41 835.72 844.47 865.73 878.79 916.23 941.05 944.58 990.39 1008.60 1023.33 1061.00 1107.17 1133.69 1146.82 1164.22 1171.79 1222.87 1230.73 1272.79 1287.07 1298.27 1299.22 1334.74 1337.38 1344.40 1370.14 1388.30 1392.24 1407.92 1416.06 1440.03 1464.94 1480.45 1505.36 1528.80 1531.42 1563.09 1584.21 1597.08 1600.43 1605.46 1610.12 1623.92 1626.25 1643.94 1660.35 1687.16 1695.35 1723.10 1741.39 1754.11 1757.07 1765.39 1798.85 1799.05 1812.63 1846.73 1859.70 1861.57 1871.48 1887.90 1892.15 1903.57 1912.08 1929.23 1938.44 1962.09 2001.47 2006.99 2039.43 2043.85 2056.40 2062.19 2095.79 2102.46 2122.16 2150.36 2159.47 2183.63 2187.20 2198.17 2203.91 2211.25 2220.18 2229.88 2248.74 2252.56 2277.12 2284.75 2327.48 2332.29 2351.54 2353.31 2359.58 2360.33 2362.89 2366.56 2377.49 2384.95 2417.41 2422.21 2464.48 2501.15 2591.55 2599.33 2599.53 2616.11 2700.80 2810.11 4577.95 4597.08 4632.55 4635.92 4643.44 4651.17 4679.02 4695.42 4696.29 4705.74 4718.71 4726.58 4727.05 4741.74 4745.04 4803.26 4816.86 4838.82 4840.76 4842.12 4873.63 4912.39 4946.75 4952.00 4993.73 5227.11 5539.53 5880.77 0.547648 0.574141 0.575085 0.486612 -1536.802948 -1536.776456 -1536.775512 -1536.863984 2.967365D-04 MUNgauss RevisionA2.0 retrievium 15-Dec-2020 DUDE c1cc(ccc1NC(=O)C[NH+]2CC[C@@]3(CCCC[C@@H]3[C@H]2c4ccc5c(c4)OCO5)O)[N+](=O)[O-] C13786279 RHF 6-31G(d) (6D,10F) C1 454.197811 |X|Y|Z| 70.001739 124.795467 31.081081 64.754197 28 6 7 8 24 2 2 |36.858105| |13.763746|36.858105| |7.967696|13.807145|36.858105| |6.824749|7.901405|13.779296|36.858105| |7.894274|6.883207|8.019892|13.822335|36.858105| |13.718384|7.968374|6.938542|7.928244|13.688976|36.858105| |7.711906|5.127452|4.577919|5.198909|7.985102|13.435627|53.358707| |6.300867|4.327979|3.701319|3.907446|5.181521|7.655343|19.333530|36.858105| |6.527775|4.469870|3.611848|3.584479|4.419305|6.451073|11.403811|15.869742|73.516695| |4.204558|3.230380|2.914703|3.136233|4.003331|5.013086|10.725822|12.442141|14.376045|36.858105| |3.558401|2.828644|2.516538|2.613198|3.154955|3.871786|7.095734|7.810101|13.025120|12.818371|53.358707| |3.858639|3.028049|2.624223|2.662742|3.175565|4.008709|7.079216|8.175648|16.637572|9.547892|25.599657|0.500000| |3.282517|2.669638|2.388732|2.466592|2.924785|3.511421|6.101300|6.043292|10.547413|7.767070|17.259701|0.260543|36.858105| |2.791437|2.346891|2.095026|2.118440|2.427619|2.857709|4.641128|4.348427|8.256292|5.022700|10.452710|0.200748|12.567609|36.858105| |2.390517|2.047413|1.855459|1.886361|2.143788|2.464997|3.968857|3.598792|6.632209|4.340869|8.735582|0.163391|7.476147|12.426806|36.858105| |2.131085|1.851381|1.711202|1.762144|1.997467|2.237865|3.586606|3.110369|5.481577|3.817826|6.825038|0.121010|5.971255|7.470163|12.391469|36.858105| |1.878157|1.654591|1.542436|1.588697|1.782848|1.967929|3.105268|2.630648|4.625102|3.180752|5.368356|0.098371|4.185667|4.863601|7.465823|12.443044|36.858105| |1.927875|1.691598|1.577685|1.630441|1.838204|2.031365|3.230887|2.748064|4.791079|3.394362|5.689744|0.104299|3.995598|4.341419|6.404144|7.548831|12.461096|36.858105| |2.110184|1.834513|1.686198|1.724812|1.947233|2.192968|3.495457|3.061710|5.493254|3.738878|6.651875|0.127734|4.359116|4.901625|7.513394|6.474885|7.548235|12.441051|36.858105| |2.494485|2.118261|1.916648|1.955290|2.238739|2.589832|4.232664|3.909922|7.148022|4.913395|10.300901|0.195758|6.475484|7.566174|12.327406|7.449350|6.358908|7.421398|12.349320|36.858105| |2.598790|2.204444|1.967193|1.978623|2.248327|2.633688|4.230824|3.954714|7.625875|4.628440|9.445772|0.210676|5.766915|6.935926|8.991414|5.523304|4.876599|5.491892|8.908703|17.539511|0.500000| |2.843602|2.358410|2.143713|2.229501|2.624898|3.066490|5.294463|5.058793|8.566845|7.488384|16.910208|0.253920|7.548807|6.442884|7.353331|5.877329|4.966880|5.927439|7.456774|12.311753|0.247609|36.858105| |2.642860|2.218084|2.052687|2.165606|2.554701|2.909530|5.026453|4.546541|7.346795|6.932351|12.457596|0.181415|7.033493|5.757689|6.656139|6.421965|5.444801|6.476890|6.721596|8.744870|0.173885|17.627411|0.500000| |2.834950|2.367155|2.162294|2.252646|2.643557|3.060925|5.200940|4.771713|8.021782|6.489251|10.400013|0.195799|4.953813|4.380491|4.830901|4.116144|3.873504|4.888626|6.243837|7.440581|0.191920|12.550487|0.248277|36.858105| |2.968238|2.483908|2.230917|2.276636|2.631489|3.090733|5.053335|4.635455|8.386053|5.399776|8.405486|0.188442|4.240396|3.939183|4.179563|3.432396|3.250898|3.931273|5.194172|6.078805|0.188033|7.529538|0.155637|13.762658|36.858105| |2.761654|2.371710|2.159152|2.201942|2.502895|2.862397|4.492890|3.836347|6.849159|4.198655|5.916130|0.129405|3.263361|3.055900|3.219375|2.779179|2.716159|3.263480|4.051983|4.286736|0.129162|4.976908|0.115964|7.832085|13.606898|36.858105| |2.505853|2.183448|2.037271|2.116225|2.405368|2.665345|4.182157|3.417270|5.827536|3.859117|5.182717|0.106876|2.944604|2.718409|2.896856|2.621410|2.619552|3.196782|3.740387|3.752337|0.106221|4.465202|0.111937|6.931007|8.078606|13.947182|36.858105| |2.422354|2.101539|1.983541|2.095906|2.413331|2.644407|4.261692|3.467807|5.695711|4.200445|5.557701|0.108067|3.152104|2.849002|3.087550|2.889495|2.913809|3.653111|4.081578|4.013876|0.106856|5.071383|0.135153|8.038759|6.976184|7.926697|13.751602|36.858105| |2.549499|2.173378|2.035457|2.156783|2.522286|2.811152|4.703691|3.987755|6.436646|5.316888|7.312959|0.133762|3.952199|3.481896|3.848023|3.601699|3.564525|4.598758|5.150460|5.249986|0.131327|7.570193|0.207102|13.534430|7.875573|6.738534|7.919497|13.953748|36.858105| |2.165364|1.917303|1.842810|1.961640|2.229531|2.371849|3.727025|2.909445|4.759852|3.414679|4.417389|0.085676|2.645331|2.408682|2.594005|2.507067|2.570594|3.155347|3.335016|3.197143|0.084771|3.844327|0.107388|5.196605|4.692868|5.409175|8.555090|14.160181|7.794642|73.516695| |2.066470|1.857131|1.786539|1.881158|2.099493|2.221915|3.387631|2.615732|4.378680|2.918574|3.804792|0.076142|2.314732|2.146227|2.288268|2.181150|2.236492|2.686527|2.895418|2.779128|0.076088|3.193832|0.086579|4.205246|4.218279|5.351453|8.586858|8.586869|5.353422|23.923601|36.858105| |2.264638|2.021393|1.914535|1.989001|2.219154|2.396618|3.640411|2.860757|4.886695|3.117299|4.110313|0.084712|2.447471|2.281032|2.411572|2.229108|2.252590|2.692413|3.034104|2.981876|0.084266|3.407810|0.088476|4.674812|5.211373|7.784803|14.173489|8.565298|5.411675|14.920765|13.479653|73.516695| |2.165075|1.888930|1.708363|1.713720|1.911368|2.181243|3.397104|3.005520|5.702955|3.397879|6.276134|0.127867|5.103941|8.003242|13.559946|7.893799|6.436693|5.447296|6.618656|8.189367|0.218802|5.107193|0.127580|3.915052|3.657910|2.933271|2.616135|2.703964|3.204664|4.108596|2.093413|3.950802|73.516695| |5.120715|7.781049|13.074892|7.780535|5.138965|4.532994|4.615331|2.892457|5.102157|2.384187|2.881434|0.061192|2.032585|1.824030|1.635009|1.518657|1.382536|1.409741|1.499383|1.679870|0.047934|1.845902|0.049302|1.864744|1.928730|1.888512|1.793325|1.740704|1.770071|2.909712|1.603402|3.039657|2.712012|53.358707| |4.683018|7.095585|8.400687|5.429901|4.103896|3.914995|4.134809|2.692971|4.889043|2.228037|2.752943|0.059073|1.950653|1.778910|1.594963|1.472578|1.342891|1.366092|1.460286|1.634094|0.046996|1.770958|0.046992|1.786411|1.866550|1.829117|1.721173|1.656901|1.682584|2.761244|1.530520|2.919448|2.673324|21.753709|73.516695| |4.091093|5.432244|8.403842|7.105838|4.695200|3.913371|4.154556|2.595929|4.493960|2.201082|2.653496|0.055664|1.877250|1.685335|1.524660|1.432189|1.311462|1.337470|1.410077|1.565067|0.044324|1.721526|0.046428|1.742168|1.784826|1.757698|1.692216|1.655033|1.676349|2.798426|1.542731|2.893006|2.527037|21.745764|15.992367|73.516695| |17.836513|8.954031|5.673477|4.936101|5.625788|8.883134|9.491770|6.859743|14.962518|4.433986|5.350042|0.123709|3.603786|3.104611|2.616765|2.276828|1.991659|2.042079|2.272979|2.734490|0.080673|3.076892|0.077635|3.039565|3.250191|2.962809|2.614060|2.498670|2.652690|3.906271|2.097463|4.139181|4.234248|5.668706|7.182324|6.052396|0.500000| |8.920262|17.785470|8.957376|5.643997|4.962770|5.658370|5.638864|3.743859|7.176904|2.879737|3.556965|0.078616|2.489415|2.245750|1.965238|1.767876|1.586491|1.616759|1.761148|2.023954|0.059079|2.207132|0.057337|2.212997|2.350876|2.254225|2.058379|1.962673|2.021007|3.185660|1.750587|3.403671|3.272272|9.790606|14.211300|8.843234|0.215439|0.500000| |4.932463|5.640794|8.931209|17.788062|8.912888|5.636493|5.733568|3.286205|5.353943|2.765608|3.172175|0.065275|2.216161|1.921401|1.731353|1.637067|1.488135|1.526076|1.599369|1.789862|0.050017|2.029413|0.055327|2.054929|2.062001|2.012758|1.962212|1.955329|1.998428|3.302506|1.787026|3.319544|2.806852|9.770610|8.830841|14.203337|0.107333|0.124446|0.500000| |5.621549|4.956679|5.686602|8.974918|17.709449|8.872993|10.026740|4.854885|7.076633|4.053109|4.252866|0.084995|2.895259|2.379699|2.127282|2.015373|1.806327|1.867588|1.952526|2.225048|0.061162|2.642759|0.072876|2.664473|2.590217|2.468728|2.425435|2.485050|2.603760|4.131736|2.162448|3.991637|3.343386|5.675497|6.059174|7.188832|0.123663|0.107680|0.215455|0.500000| |5.744099|4.296876|4.117762|4.953943|7.714942|9.325429|26.017557|9.531706|10.862129|7.695293|6.646539|0.127853|4.237538|3.207938|2.811331|2.615025|2.282812|2.385016|2.526570|3.000745|0.081388|3.819723|0.104711|3.773442|3.527675|3.178142|3.066929|3.222581|3.569439|5.096430|2.563026|4.783741|4.243915|4.281433|4.950557|5.196235|0.142834|0.098098|0.116929|0.237241|0.500000| |3.870741|3.050012|2.800089|3.040396|3.851370|4.630829|9.348351|8.893006|11.389537|17.659827|12.306823|0.208905|5.683731|4.171568|3.900362|3.500295|3.064689|3.412692|3.773435|4.689120|0.122964|7.387041|0.191744|7.893566|6.278585|4.983759|4.737709|5.326834|6.858149|7.423341|3.469605|6.598105|5.568943|3.144593|3.827421|3.823704|0.111147|0.075651|0.075357|0.110398|0.198946|0.500000| |3.830797|3.028727|2.810283|3.090952|3.959487|4.690895|9.703860|8.721411|10.790885|17.623829|12.324181|0.185760|7.595203|4.773441|4.119237|3.870216|3.185333|3.308509|3.453662|4.369561|0.110327|6.271033|0.184859|5.217579|4.263667|3.482046|3.335709|3.734878|4.694530|5.640386|2.689453|4.947277|5.695462|3.151118|3.814370|3.849795|0.108331|0.074690|0.076893|0.115667|0.218408|0.300996|0.500000| |2.976797|2.466418|2.261229|2.377403|2.823495|3.272976|5.681332|5.193907|8.442269|7.099260|12.420720|0.182442|17.626034|8.765875|6.680425|6.482651|4.447637|4.150043|4.195530|5.722674|0.133631|6.914235|0.212121|4.620061|3.787284|3.007017|2.813965|3.107165|3.942678|4.725370|2.289541|4.205129|8.120414|2.635745|3.278113|3.219345|0.087866|0.063484|0.060134|0.079594|0.115477|0.151242|0.227965|0.500000| |3.773687|3.011907|2.657455|2.727358|3.254186|4.006009|6.924138|6.882721|12.325480|7.376363|12.401956|0.226997|17.639320|8.845192|5.469302|4.574690|3.412064|3.258379|3.533492|4.870774|0.129392|5.550649|0.144257|4.157215|3.764396|3.002957|2.705515|2.838145|3.419619|4.305694|2.155187|4.068938|7.508740|3.039659|3.805601|3.633889|0.116164|0.077565|0.067215|0.087942|0.128698|0.145794|0.203898|0.301233|0.500000| |2.596512|2.222159|2.000448|2.020098|2.288449|2.648092|4.195874|3.752960|7.033761|4.173871|7.609919|0.146355|8.985289|17.546233|8.786792|7.006118|4.557329|3.834560|4.061982|5.492538|0.141119|4.835302|0.128620|3.538927|3.218333|2.603443|2.360592|2.476713|2.959727|3.814023|1.925079|3.597835|12.318917|2.392623|3.053899|2.898977|0.079238|0.059340|0.051234|0.062430|0.081293|0.097521|0.115762|0.212888|0.213986|0.500000| |2.938063|2.465735|2.161388|2.147193|2.437314|2.912933|4.625731|4.388974|8.976116|4.682016|9.419347|0.212962|8.903941|17.546131|8.907972|5.507972|4.072381|3.797797|4.517573|6.798568|0.204391|5.667394|0.132965|4.203040|4.050847|3.144097|2.718640|2.760785|3.280255|4.135153|2.111704|4.062327|13.604969|2.563583|3.297837|3.064812|0.093266|0.066383|0.053720|0.065228|0.086464|0.109658|0.117981|0.173131|0.216229|0.303598|0.500000| |2.232133|1.926363|1.792881|1.869491|2.144353|2.392447|3.907908|3.370336|5.735071|4.324825|7.497402|0.125055|6.666200|6.881006|8.776044|17.516627|8.866320|6.760216|5.635713|6.630360|0.137061|6.347751|0.218064|4.327901|3.467819|2.812305|2.699554|3.049354|3.892152|4.717494|2.267024|4.072032|10.109440|2.151241|2.702324|2.658480|0.065524|0.050562|0.048287|0.060791|0.080542|0.109111|0.127320|0.231912|0.138345|0.178555|0.139295|0.500000| |2.032564|1.782793|1.651088|1.693113|1.902017|2.117581|3.335950|2.844419|5.058030|3.352942|5.745530|0.105013|5.308931|6.875148|8.873373|17.508426|8.801939|5.492781|4.858028|5.468683|0.124835|4.528497|0.134176|3.374054|2.924347|2.426660|2.290209|2.486590|3.001816|3.906725|1.941189|3.524480|12.730348|2.006931|2.549603|2.474829|0.060205|0.047517|0.043821|0.053152|0.067359|0.084486|0.095836|0.159867|0.120279|0.211735|0.144200|0.305008|0.500000| |1.758668|1.561150|1.469209|1.521586|1.702170|1.854479|2.908749|2.413029|4.186412|2.899995|4.670461|0.085191|3.675963|4.058314|5.472760|8.859953|17.561002|8.809780|5.493702|4.789903|0.107062|4.149525|0.130994|3.368133|2.836418|2.433016|2.395323|2.690417|3.237988|4.331379|2.116363|3.726224|8.572527|1.800241|2.277777|2.243590|0.051270|0.041502|0.039854|0.048254|0.060070|0.078016|0.082639|0.112300|0.085538|0.110003|0.095217|0.217476|0.211793|0.500000| |1.774521|1.575712|1.464922|1.496038|1.662454|1.834325|2.849337|2.404188|4.307187|2.812208|4.717602|0.089703|3.685062|4.478814|6.715206|8.853905|17.563613|8.870991|6.793884|5.604775|0.129065|4.196775|0.120492|3.418902|3.005732|2.548299|2.429736|2.632513|3.115659|4.156829|2.079476|3.756547|12.558268|1.799127|2.296497|2.226266|0.052509|0.042306|0.038955|0.046458|0.057648|0.075244|0.077227|0.104751|0.085930|0.119236|0.108981|0.174130|0.215092|0.303678|0.500000| |1.990113|1.739084|1.633125|1.706279|1.940791|2.132414|3.437681|2.900991|4.920435|3.707924|5.999042|0.106006|4.106437|4.133726|5.587314|6.739336|8.837028|17.488585|8.774387|6.610860|0.136466|6.419862|0.221099|5.343245|4.030424|3.363115|3.403445|4.092378|5.405843|6.306395|2.909091|5.068104|7.970403|1.976870|2.484654|2.458383|0.057994|0.045780|0.044450|0.055366|0.071656|0.105574|0.102309|0.123210|0.092764|0.101473|0.099173|0.196934|0.138531|0.215541|0.173913|0.500000| |1.753792|1.556526|1.459749|1.505935|1.681844|1.839383|2.879804|2.404354|4.204941|2.888280|4.647845|0.087444|3.257107|3.517602|4.822837|5.501096|8.835275|17.566574|8.874532|5.457528|0.124194|4.569807|0.135304|4.131768|3.480752|3.025695|3.021422|3.420591|4.072853|5.426162|2.639436|4.640965|8.000565|1.789836|2.270280|2.226305|0.051355|0.041494|0.039380|0.047493|0.059170|0.081798|0.078298|0.093399|0.076396|0.088673|0.088357|0.138992|0.123302|0.210512|0.216289|0.304886|0.500000| |2.107378|1.835730|1.692103|1.734023|1.956812|2.195626|3.491118|3.029516|5.396294|3.680431|6.226304|0.121779|3.849857|4.073526|5.478189|4.840146|5.494282|8.798876|17.597781|8.787042|0.210512|7.004310|0.172231|7.246983|6.096266|4.853735|4.538675|4.964016|6.162028|6.988459|3.395934|6.377006|8.806691|2.048855|2.602933|2.520019|0.062784|0.048889|0.044723|0.054595|0.070342|0.107756|0.092855|0.102830|0.089257|0.094904|0.107746|0.125653|0.106768|0.123092|0.139835|0.211969|0.213252|0.500000| |1.981267|1.740388|1.595516|1.616506|1.803413|2.026433|3.165421|2.746359|5.039300|3.207401|5.597268|0.112215|3.833837|4.554288|6.856219|5.745689|6.862322|8.889251|17.598457|8.961258|0.225749|5.519402|0.137769|4.846051|4.452287|3.624090|3.294377|3.444994|4.074118|5.147839|2.601795|4.890839|13.247246|1.946752|2.493960|2.388464|0.059567|0.046863|0.041699|0.049872|0.062993|0.088763|0.082562|0.100811|0.089059|0.108009|0.121613|0.131832|0.128631|0.140181|0.202014|0.173447|0.216203|0.304618|0.500000| |3.115193|2.592571|2.281413|2.285178|2.618786|3.137135|5.041383|4.770893|9.368505|5.181490|8.682469|0.220633|4.488049|4.345578|4.473274|3.477109|3.212085|3.727123|5.047197|6.368335|0.225930|6.938586|0.140052|8.891159|17.708545|8.967381|5.730457|5.004910|5.604531|6.598584|3.447939|7.443346|7.158388|2.685078|3.428891|3.213105|0.097769|0.069022|0.057042|0.070291|0.094679|0.152528|0.113097|0.106349|0.112163|0.096941|0.131154|0.095151|0.083399|0.076946|0.084221|0.102331|0.091292|0.153663|0.126437|0.500000| |2.730600|2.380080|2.152083|2.159077|2.410241|2.752944|4.172210|3.503232|6.464537|3.617130|5.090216|0.114519|2.924649|2.793796|2.897004|2.492013|2.434119|2.849027|3.506432|3.702690|0.114876|4.059570|0.095883|5.591518|8.804814|17.755639|8.931965|5.634359|4.884725|7.769527|4.644531|12.192968|4.836987|2.584843|3.301794|3.127802|0.081962|0.063692|0.054787|0.065124|0.080737|0.114318|0.084461|0.074289|0.076396|0.066991|0.081562|0.069222|0.061522|0.060833|0.064579|0.079996|0.074396|0.113261|0.090694|0.215154|0.500000| |2.392345|2.054566|1.946854|2.083095|2.437167|2.668936|4.469288|3.699995|5.866361|5.047882|6.828207|0.119450|3.925679|3.421281|3.815546|3.798300|3.804478|4.916490|4.956923|4.917331|0.117217|6.962238|0.227672|8.752752|5.598142|4.882937|5.639579|8.968590|17.728613|12.283354|4.663248|7.790768|5.554818|2.313187|2.860403|2.882530|0.068365|0.052926|0.054075|0.070963|0.096599|0.172683|0.133501|0.114416|0.093536|0.082309|0.086914|0.118293|0.087455|0.098582|0.089803|0.174425|0.120225|0.155522|0.108062|0.122948|0.106383|0.500000| |2.046940|1.857104|1.808111|1.917381|2.128411|2.214328|3.331173|2.508664|4.166017|2.746641|3.494703|0.069931|2.154793|1.982125|2.078649|1.993863|2.024472|2.376213|2.523455|2.465615|0.067550|2.838386|0.077681|3.596524|3.605360|4.437118|6.355905|6.355746|4.439714|16.552694|17.687922|16.563039|3.383975|2.217152|2.750750|2.805070|0.056992|0.048458|0.050990|0.061302|0.070614|0.090220|0.071134|0.059456|0.056465|0.049837|0.054201|0.057879|0.049816|0.053702|0.052373|0.071501|0.064693|0.080020|0.063523|0.084269|0.111362|0.111792|0.500000| 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