Version2.0 2020-07-19T07:35:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 13-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(n(n1)c2ccccc2)Oc3ccccc3Cl)C[NH+](C[C@@H]4CCCO4)C[C@@H](COC(C)C)O C36303527 RHF 6-31G(d) (6D,7F) Cc1c(c(n(n1)c2ccccc2)Oc3ccccc3Cl)C[NH+](C[C@@H]4CCCO4)C[C@@H](COC(C)C)O C01[X(C28H37Cl1N3O4)] 213 C1 618 O[C@@H](C[NH+](Cc1c(C)nn(c1Oc1ccccc1Cl)c1ccccc1)C[C@@H]1CCCO1)COC(C)C O[C@@H](C[NH+](Cc1c(C)nn(c1Oc1ccccc1Cl)c1ccccc1)C[C@@H]1CCCO1)COC(C)C CC(C)OC[C@@H](O)C[NH+](C[C@@H]1CCCO1)Cc2c(C)nn(c3ccccc3)c2Oc4ccccc4Cl InChIKey=YAZPKABBCBCZLF-ZEQRLZLVSA-O InChI=1S/C28H36ClN3O4/c1-20(2)35-19-23(33)16-31(17-24-12-9-15-34-24)18-25-21(3)30-32(22-10-5-4-6-11-22)28(25)36-27-14-8-7-13-26(27)29/h4-8,10-11,13-14,20,23-24,33H,9,12,15-19H2,1-3H3/p+1/t23-,24-/m0/s1 InChI=1/C28H36ClN3O4/c1-20(2)35-19-23(33)16-31(17-24-12-9-15-34-24)18-25-21(3)30-32(22-10-5-4-6-11-22)28(25)36-27-14-8-7-13-26(27)29/h4-8,10-11,13-14,20,23-24,33H,9,12,15-19H2,1-3H3/p+1/t23-,24-/m0/s1/fC28H37ClN3O4/h31H/q+1 Cc1c(c(n(n1)c2ccccc2)Oc3ccccc3Cl)C[NH+](C[C@@H]4CCCO4)C[C@@H](COC(C)C)O C01[X(C28H37Cl1N3O4)] 213 C01 618 O[C@@H](C[NH+](Cc1c(C)nn(c1Oc1ccccc1Cl)c1ccccc1)C[C@@H]1CCCO1)COC(C)C O[C@@H](C[NH](C[C]1[C]([N][N@@]([C]1O[C]1[CH][CH][CH][CH][C]1Cl)[C]1[CH][CH][CH][CH][CH]1)C)C[C@@H]1CCCO1)COC(C)C C[C]1[N]N([C]2[CH][CH][CH][CH][CH]2)[C](O[C]3[CH][CH][CH][CH][C]3Cl)[C]1C[NH](C[C@H](O)COC(C)C)C[C@@H]4CCCO4 InChIKey=UMKDYEYIYQTXGH-ZEQRLZLVSA-N InChI=1S/C28H37ClN3O4/c1-20(2)35-19-23(33)16-31(17-24-12-9-15-34-24)18-25-21(3)30-32(22-10-5-4-6-11-22)28(25)36-27-14-8-7-13-26(27)29/h4-8,10-11,13-14,20,23-24,31,33H,9,12,15-19H2,1-3H3/t23-,24-/m0/s1 InChI=1/C28H37ClN3O4/c1-20(2)35-19-23(33)16-31(17-24-12-9-15-34-24)18-25-21(3)30-32(22-10-5-4-6-11-22)28(25)36-27-14-8-7-13-26(27)29/h4-8,10-11,13-14,20,23-24,31,33H,9,12,15-19H2,1-3H3/t23-,24-/m0/s1 4239.6906908925 -2003.8973251 1-A 23378.4395 137 481 618 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.91825 -20.73532 -20.68529 -20.67179 -20.66215 -15.81647 -15.75340 -15.68489 -11.45499 -11.42505 -11.42401 -11.40784 -11.40677 -11.40595 -11.40347 -11.39586 -11.38426 -11.37272 -11.37142 -11.36805 -11.36527 -11.34418 -11.34331 -11.34190 -11.34126 -11.33175 -11.33172 -11.32726 -11.32243 -11.31985 -11.31702 -11.31249 -11.31167 -11.31003 -11.29342 -11.28907 -10.65123 -8.12068 -8.11723 -8.11719 -1.57870 -1.51066 -1.50038 -1.49554 -1.47729 -1.44865 -1.29006 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.02948 0.03952 0.04910 0.06360 0.06982 0.08811 0.10427 0.10855 0.11287 0.12144 0.12928 0.13476 0.14345 0.15014 0.15806 0.16482 0.16695 0.17191 0.17351 0.18144 0.18587 0.19119 0.19769 0.19928 0.20668 0.20740 0.21054 0.21617 0.21864 0.21967 0.22138 0.22947 0.23335 0.23439 0.23728 0.23864 0.24152 0.24532 0.24989 0.25147 0.25318 0.25692 0.26219 0.26361 0.26660 0.26962 0.27530 0.27792 0.27898 0.28133 0.28599 0.28902 0.29448 0.30654 0.30843 0.31907 0.32608 0.33017 0.33422 0.34118 0.34978 0.35321 0.35554 0.35915 0.36275 0.36831 0.37216 0.39120 0.39576 0.39926 0.40487 0.41371 0.42017 0.43117 0.43637 0.44565 0.46260 0.47367 0.49570 0.50209 0.53019 0.54048 0.56172 0.56450 0.57801 0.58412 0.58641 0.59465 0.60470 0.61136 0.61618 0.62259 0.63138 0.63396 0.64288 0.64752 0.65500 0.66226 0.66553 0.66818 0.67534 0.67700 0.68345 0.68765 0.68917 0.69813 0.70203 0.70255 0.70978 0.71135 0.71841 0.72108 0.72343 0.72936 0.73266 0.73739 0.73811 0.74086 0.74513 0.75178 0.75507 0.75656 0.76338 0.76468 0.77040 0.77142 0.77751 0.78096 0.78615 0.78995 0.79565 0.80362 0.81223 0.81382 0.81919 0.82267 0.83086 0.83690 0.84218 0.84846 0.86080 0.86430 0.86670 0.88150 0.88367 0.88856 0.89642 0.90065 0.90795 0.91505 0.92038 0.92551 0.93020 0.93888 0.94139 0.94785 0.95187 0.96731 0.97198 0.97984 0.98548 0.99175 0.99838 1.00104 1.01083 1.01471 1.01909 1.02457 1.02762 1.03078 1.03584 1.04103 1.04474 1.04721 1.04914 1.05067 1.05740 1.05970 1.06126 1.06350 1.06610 1.07344 1.07683 1.07991 1.08297 1.08628 1.09648 1.09751 1.09936 1.10119 1.10268 1.10625 1.11284 1.11392 1.11670 1.11808 1.12193 1.12760 1.12903 1.13241 1.13493 1.13732 1.13810 1.14190 1.15079 1.15428 1.15809 1.16051 1.17425 1.17782 1.18288 1.19232 1.19309 1.19733 1.20074 1.20246 1.21744 1.23291 1.23965 1.24859 1.25572 1.26813 1.27817 1.28089 1.29807 1.30232 1.30574 1.31187 1.31842 1.32291 1.33819 1.35545 1.36331 1.37156 1.37540 1.38880 1.39821 1.40718 1.41925 1.42175 1.42528 1.43874 1.44959 1.45812 1.46580 1.46935 1.49712 1.50105 1.51384 1.53003 1.53702 1.55043 1.56367 1.57272 1.58681 1.59080 1.59335 1.59900 1.60599 1.60619 1.61022 1.61775 1.63158 1.63338 1.64015 1.64321 1.65898 1.66689 1.66866 1.67903 1.68458 1.68937 1.69890 1.70659 1.71251 1.71328 1.73536 1.74165 1.75510 1.77175 1.78745 1.79711 1.82291 1.82600 1.83540 1.87083 1.87992 1.88806 1.90671 1.92950 1.94200 1.94601 1.95031 1.95611 1.96953 1.97988 1.98282 1.99626 2.00040 2.00099 2.00949 2.03174 2.03781 2.03825 2.04729 2.04994 2.05351 2.06680 2.07102 2.07991 2.08583 2.09342 2.10491 2.11583 2.12411 2.12677 2.13387 2.14517 2.15141 2.16140 2.16650 2.16788 2.18382 2.19109 2.19300 2.20161 2.21219 2.22021 2.22188 2.22846 2.23213 2.24308 2.24844 2.25316 2.25871 2.26025 2.27182 2.28448 2.29127 2.30411 2.31183 2.31477 2.32486 2.33596 2.33814 2.34081 2.34722 2.35875 2.36495 2.36555 2.36692 2.38133 2.38895 2.39578 2.40317 2.40757 2.41784 2.42356 2.43144 2.43536 2.44844 2.46557 2.47863 2.48725 2.49240 2.50078 2.51286 2.51481 2.51838 2.52591 2.52859 2.53063 2.53605 2.54020 2.55116 2.56150 2.57131 2.58033 2.58671 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12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11689.7404 33854.1913 37894.7171 1.00000 -0.00041 0.00101 0.00043 0.99992 -0.01226 -0.00101 0.01226 0.99992 1 0.00741 0.00256 0.00229 0.15439 0.05331 0.04763 13.85 23.32 25.71 29.33 31.05 42.13 50.68 57.40 74.24 85.66 92.19 106.66 112.11 117.32 130.93 156.68 165.44 179.99 211.71 218.69 233.82 251.09 267.41 298.61 299.69 337.13 354.55 368.46 387.48 395.62 422.72 439.94 453.01 463.44 485.94 515.44 535.90 592.49 600.37 613.41 657.49 659.14 666.61 693.51 707.31 709.86 719.03 730.63 778.88 794.57 805.30 819.11 856.60 909.46 924.06 930.80 965.32 981.05 1001.68 1049.18 1053.75 1071.27 1101.77 1119.18 1143.71 1153.52 1234.98 1236.43 1242.18 1258.64 1287.81 1289.50 1311.67 1364.76 1367.93 1373.54 1395.56 1399.29 1412.62 1430.54 1439.87 1455.72 1462.55 1479.60 1495.36 1502.30 1508.08 1530.86 1560.13 1573.76 1576.35 1590.42 1605.91 1617.58 1621.36 1628.59 1635.22 1643.22 1645.05 1654.37 1677.11 1682.69 1703.22 1710.68 1742.85 1755.64 1757.58 1777.20 1788.38 1797.03 1802.39 1809.64 1822.35 1824.92 1832.51 1865.49 1868.84 1895.55 1897.99 1906.36 1910.13 1916.73 1923.41 1931.00 1966.44 1983.07 1998.31 2012.95 2038.95 2058.64 2068.91 2083.68 2096.87 2110.73 2128.38 2138.79 2164.83 2168.15 2169.78 2177.82 2205.24 2213.99 2230.80 2235.21 2251.96 2260.27 2264.95 2269.42 2284.55 2297.46 2317.90 2326.21 2336.89 2339.11 2343.09 2343.97 2344.80 2348.45 2352.16 2358.24 2363.17 2366.50 2370.37 2374.34 2378.73 2381.75 2388.41 2406.12 2411.85 2428.34 2457.16 2557.53 2573.03 2578.19 2588.93 2600.45 4589.00 4601.44 4605.08 4621.70 4625.81 4631.18 4652.43 4656.27 4662.48 4667.29 4679.04 4700.50 4710.86 4718.04 4721.77 4730.76 4734.12 4739.37 4739.84 4752.01 4753.35 4762.21 4777.96 4813.24 4834.26 4853.77 4866.56 4867.71 4869.09 4885.08 4885.46 4896.59 4900.92 4904.36 4908.99 5300.21 5849.92 0.669243 0.702994 0.703938 0.596565 -2003.228082 -2003.194331 -2003.193387 -2003.300760 3.601308D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE Cc1c(c(n(n1)c2ccccc2)Oc3ccccc3Cl)C[NH+](C[C@@H]4CCCO4)C[C@@H](COC(C)C)O C36303527 RHF 6-31G(d) (6D,10F) C1 514.247260 |X|Y|Z| 66.497473 128.982756 48.165818 74.477527 26 6 7 8 21 3 2 |36.858105| |12.701866|36.858105| |7.235812|13.380706|36.858105| |5.196432|8.685282|13.901870|36.858105| |5.352886|8.974275|8.690655|14.277664|53.358707| |7.828120|14.696194|8.507851|8.642822|19.265775|53.358707| |3.954638|5.482516|5.301753|7.625955|18.121827|10.789338|36.858105| |3.622270|4.641328|4.266506|5.384661|10.718842|8.818767|13.749651|36.858105| |2.887729|3.484793|3.288589|4.003913|7.031826|6.079649|7.973529|13.775313|36.858105| |2.570837|3.084584|3.007081|3.701863|6.188357|5.198504|6.903777|7.933021|13.736684|36.858105| |2.684738|3.301292|3.313586|4.240239|6.996622|5.532958|7.974588|6.867736|7.940863|13.763280|36.858105| |3.246042|4.235353|4.323041|6.006513|10.608168|7.367205|13.778698|7.907962|6.866641|7.931700|13.746411|36.858105| |3.841508|5.421635|7.783376|14.236533|11.077105|7.460891|6.448625|4.730603|3.793271|3.684384|4.342177|5.948138|73.516695| |3.298884|4.334370|5.815397|8.049183|7.868540|5.884435|5.051182|3.801233|3.253011|3.336198|4.086119|5.378958|24.642562|36.858105| |3.381638|4.327024|5.513834|6.715880|7.210241|5.789860|4.553255|3.435694|2.971539|3.079417|3.806373|4.980538|13.944746|13.770292|36.858105| |2.778213|3.333461|3.991191|4.513219|5.251560|4.468458|3.538915|2.820883|2.544538|2.695537|3.298494|3.987665|9.208040|7.951981|13.736317|36.858105| |2.383679|2.813303|3.345582|3.797735|4.462409|3.796849|3.123610|2.571699|2.376760|2.545429|3.074372|3.539989|8.168365|6.868597|7.925391|13.783634|36.858105| |2.355307|2.817108|3.412096|4.000860|4.610172|3.825820|3.274159|2.716761|2.515346|2.686684|3.218826|3.678431|9.341270|7.940660|6.877080|7.964332|13.752747|36.858105| |2.687836|3.340332|4.220353|5.296873|5.764357|4.556120|4.023435|3.250294|2.924066|3.065352|3.684304|4.410969|14.410038|13.722645|7.937690|6.891460|7.939357|13.782670|36.858105| |2.452754|2.995097|3.676505|4.514766|5.128026|4.122137|3.722104|3.211013|2.947388|3.037626|3.456195|3.898833|11.692189|7.009312|4.759256|4.233184|4.770871|7.056396|10.973846|448.794386| |5.783831|7.247104|12.804172|7.430109|7.123509|7.041958|3.811556|3.237302|2.647306|2.474893|2.706879|3.348549|10.826525|5.209315|5.018100|3.883639|3.332702|3.388883|4.062158|28.547787|36.858105| |5.166936|5.695019|7.597772|5.372971|5.737032|5.849707|3.269697|2.951257|2.448869|2.252022|2.386130|2.842218|8.389931|3.975573|3.674839|3.029816|2.741303|2.860920|3.382305|25.899894|12.567432|53.358707| |6.264246|6.274483|7.196132|4.985601|5.702188|6.208526|3.241979|2.992873|2.466829|2.234526|2.334661|2.764407|7.412475|3.499477|3.306691|2.747496|2.471693|2.550341|2.976164|22.902148|9.304044|25.679602|0.500000| |4.181741|4.844020|6.251509|5.277658|5.699241|5.497924|3.383174|3.134947|2.608176|2.373093|2.477146|2.911837|8.885084|3.987399|3.438925|2.847778|2.667810|2.902347|3.534675|29.314824|7.489266|17.184673|0.263092|36.858105| |3.258889|3.800027|4.949768|4.697333|5.009161|4.571807|3.127479|2.863949|2.458164|2.299762|2.430776|2.817791|9.071931|4.284519|3.533019|2.995811|2.920185|3.305295|4.074905|35.874949|5.937106|10.094625|0.157002|12.533121|36.858105| |3.279502|3.957230|5.458173|5.414742|5.454313|4.791081|3.374700|2.979499|2.552015|2.429804|2.631197|3.104679|11.377761|5.485581|4.312377|3.583837|3.501354|4.050480|5.209293|44.190357|6.616944|9.307566|0.143129|8.843452|17.558745|0.500000| |2.789867|3.234458|3.932531|4.029772|4.579776|4.117720|3.031404|2.876756|2.525781|2.355141|2.438511|2.745542|8.026842|3.779867|3.066501|2.654439|2.659299|3.086928|3.798229|37.564673|4.194647|6.638661|0.116635|7.542285|12.449475|0.246405|36.858105| |2.339454|2.636852|3.143570|3.203879|3.711283|3.371288|2.512165|2.380378|2.152155|2.054703|2.138070|2.358280|6.458109|3.301033|2.749132|2.481661|2.563293|2.993787|3.504889|35.050795|3.449975|5.295474|0.093704|5.141570|8.055130|0.189519|12.463144|36.858105| |2.377270|2.605874|3.103536|3.003188|3.463796|3.237577|2.292184|2.160383|1.941713|1.851163|1.932684|2.145841|5.814770|3.033585|2.630979|2.396911|2.438946|2.749860|3.122367|28.436732|3.614788|5.834061|0.101465|5.369179|8.143220|0.180885|8.013455|12.473659|36.858105| |2.848240|3.144546|3.891625|3.599700|4.008978|3.774467|2.556107|2.368419|2.080737|1.968466|2.073215|2.355327|6.811373|3.478853|3.026695|2.684548|2.653663|2.943705|3.414228|29.395406|4.869400|8.470709|0.136323|7.930216|13.540147|0.259289|8.134810|8.089206|13.365108|73.516695| |4.049219|4.108883|4.991619|3.896813|4.369324|4.460061|2.622791|2.397156|2.055272|1.922738|2.034830|2.364316|6.462213|3.311132|3.165125|2.753504|2.536938|2.611091|2.952452|22.599752|7.652199|17.259113|0.264618|7.487181|6.059095|0.154747|4.161293|3.671210|4.425021|11.552619|36.858105| |3.567220|3.451067|3.859072|3.162757|3.735655|3.880877|2.312791|2.182979|1.896277|1.759436|1.826564|2.077665|5.261383|2.681151|2.551380|2.263852|2.121773|2.195269|2.453325|19.450433|4.996880|10.452842|0.210673|6.225058|5.009050|0.119749|3.833852|3.445626|4.238573|10.098121|12.517877|36.858105| |3.173794|3.170078|3.572923|3.046895|3.603851|3.668952|2.269143|2.163142|1.891702|1.753582|1.809805|2.041845|5.200984|2.631411|2.447686|2.179259|2.077050|2.186421|2.457071|20.081908|4.444449|9.101771|0.175487|6.636426|5.627525|0.126247|4.405797|3.995122|5.140009|12.182503|8.850223|17.593919|0.500000| |2.978570|2.821863|3.074087|2.593873|3.127737|3.251048|1.978622|1.872347|1.655226|1.553322|1.613435|1.812039|4.375172|2.305944|2.244091|2.048475|1.933423|1.972918|2.145040|16.862074|3.848483|6.778031|0.137279|4.198504|3.745348|0.094059|3.040665|2.893089|3.573341|7.788882|7.547089|12.524321|0.249268|36.858105| |2.693882|2.521202|2.663024|2.295647|2.835538|2.966711|1.823545|1.756616|1.565970|1.462417|1.501317|1.666235|3.870265|2.027138|1.963876|1.800506|1.710701|1.752350|1.901209|15.189826|3.151816|5.437608|0.114835|3.621294|3.224543|0.080073|2.768765|2.643464|3.193108|6.551076|5.166561|8.232532|0.206395|13.701221|73.516695| |2.293084|2.146933|2.246918|1.974906|2.466838|2.571451|1.609982|1.554715|1.402890|1.319969|1.354089|1.488678|3.360363|1.788741|1.748942|1.629628|1.558426|1.586599|1.695575|13.520595|2.605974|4.242752|0.088570|2.867087|2.650577|0.067339|2.338693|2.289844|2.729693|5.365911|3.877935|5.201078|0.136343|7.920844|23.811463|36.858105| |2.295659|2.101043|2.159011|1.888179|2.382775|2.513774|1.554468|1.498399|1.353699|1.276317|1.311230|1.441236|3.178639|1.704352|1.693932|1.585781|1.503397|1.510854|1.602944|12.588125|2.478247|3.893264|0.082601|2.556801|2.340116|0.060766|2.063224|2.000594|2.321330|4.590102|3.482615|4.322324|0.107536|6.165662|13.917910|12.502641|36.858105| |2.069990|1.948594|2.017099|1.803924|2.281907|2.374166|1.509172|1.476078|1.342202|1.259328|1.280425|1.394571|3.082489|1.632310|1.583633|1.477305|1.422448|1.457615|1.559055|12.616356|2.273359|3.677340|0.077304|2.593885|2.412921|0.060846|2.206531|2.169743|2.540604|4.819162|3.168962|4.143861|0.116293|5.231501|14.383259|12.541960|7.536122|36.858105| |4.211901|3.833003|4.013520|3.219508|3.926369|4.244695|2.412102|2.311703|1.988932|1.817281|1.866314|2.124325|5.145625|2.568407|2.462455|2.160881|1.999779|2.055946|2.309170|18.259437|4.829231|9.844828|0.251304|5.837127|4.295334|0.104357|3.477069|3.012893|3.456822|7.775667|8.168406|13.563509|0.258242|7.922840|12.576494|4.690054|4.186025|3.957048|73.516695| |17.545708|8.871826|6.455732|4.645849|6.210935|8.168953|3.472925|3.122120|2.564916|2.345807|2.486568|2.986602|6.361357|3.215688|3.420591|2.859320|2.423629|2.348386|2.628314|18.863857|5.824353|6.764951|0.161109|3.830229|3.086251|0.087460|2.601688|2.234398|2.307685|4.930234|4.159420|3.578577|0.086389|3.080777|4.863165|2.350068|2.395039|2.085899|7.323432|0.500000| |17.622493|8.986061|5.481745|4.453901|6.759557|10.264781|3.897250|3.695540|2.972270|2.619122|2.690985|3.195057|6.034686|2.955365|3.043642|2.548372|2.201036|2.167973|2.446803|18.064302|4.403699|5.485575|0.131086|3.477456|2.806528|0.078334|2.486688|2.108518|2.119850|4.402449|3.304446|3.017546|0.076062|2.592768|4.271307|2.084374|2.103434|1.910851|6.295716|0.301275|0.500000| |17.525782|8.831920|6.306904|4.596150|6.216369|8.278272|3.511470|3.331793|2.694804|2.382286|2.447962|2.896350|6.318297|3.027816|3.016182|2.518174|2.211161|2.216752|2.531884|19.067484|5.601519|7.808937|0.214629|4.617370|3.433153|0.092667|2.930386|2.438342|2.509342|5.383443|4.469881|4.122075|0.100693|3.344692|5.440650|2.547628|2.532655|2.301599|9.315070|0.301290|0.302004|0.500000| |3.984365|5.004279|4.384716|5.166598|9.899066|9.448941|8.932038|17.749800|8.893058|5.637356|4.951917|5.642399|7.747645|3.451386|3.133966|2.584567|2.358353|2.486781|2.962086|23.832620|3.323660|4.255258|0.090180|3.347519|2.951181|0.083180|2.963413|2.414801|2.209601|4.332335|2.508981|2.318459|0.063840|1.969327|3.308707|1.636105|1.574514|1.559015|4.452394|0.092298|0.114262|0.103982|0.500000| |2.664350|3.101431|2.899856|3.386507|5.702764|5.233905|5.664965|8.945041|17.730492|8.906757|5.646916|4.949747|5.710628|2.782442|2.557346|2.228689|2.102812|2.224069|2.549413|21.025097|2.391877|3.083968|0.063952|2.427419|2.280283|0.064698|2.372634|2.034930|1.839784|3.472209|1.922576|1.803374|0.050197|1.581545|2.687400|1.358922|1.310898|1.310426|3.382499|0.065711|0.076946|0.070297|0.214662|0.500000| |2.254908|2.631372|2.572143|3.070822|4.925317|4.295606|4.968891|5.646078|8.912272|17.729263|8.921926|5.644677|5.503585|2.875702|2.681363|2.414859|2.319418|2.443272|2.719971|21.944212|2.175006|2.728294|0.055272|2.112636|2.066146|0.060258|2.134538|1.894012|1.708214|3.191285|1.739261|1.606673|0.044620|1.431884|2.410527|1.232248|1.192566|1.181401|2.942042|0.057726|0.064022|0.058615|0.123990|0.214746|0.500000| |2.395866|2.879407|2.930975|3.647482|5.671041|4.640343|5.667122|4.950364|5.645629|8.914306|17.731122|8.937852|6.833785|3.844040|3.669313|3.330420|3.168908|3.281834|3.604336|26.747448|2.471468|2.966237|0.058872|2.246743|2.241441|0.067728|2.247134|2.013358|1.825860|3.452188|1.893165|1.700256|0.046806|1.518292|2.510779|1.282749|1.244497|1.212848|3.061639|0.062765|0.066505|0.060922|0.107525|0.124105|0.214882|0.500000| |3.221230|4.198166|4.476037|6.221143|9.692975|6.876455|8.909263|5.633333|4.951842|5.646468|8.915884|17.752713|11.471713|6.582411|6.506227|5.063199|4.306501|4.332988|5.134555|33.099157|3.533850|3.947470|0.077184|2.903763|2.854292|0.089409|2.715622|2.368073|2.176825|4.275903|2.437522|2.105593|0.057111|1.847272|2.989288|1.505530|1.461290|1.399692|3.779757|0.084618|0.086525|0.079112|0.124175|0.107524|0.124197|0.215608|0.500000| |3.983595|5.215433|6.472676|7.454267|8.276605|6.888901|4.875317|3.619507|3.055730|3.104322|3.793019|5.095290|12.586328|8.918454|17.747422|8.915929|5.645529|4.956538|5.644985|31.508302|5.508089|5.254697|0.098817|3.470659|3.382782|0.110993|2.904004|2.564128|2.492014|5.163725|3.271296|2.629634|0.068924|2.306801|3.587326|1.790874|1.751661|1.615714|4.605700|0.113527|0.098940|0.095129|0.092618|0.072943|0.074467|0.099358|0.181728|0.500000| |2.700264|3.143342|3.615144|3.907825|4.733261|4.196850|3.195780|2.593331|2.357341|2.494335|3.014481|3.570643|7.441463|5.662349|8.949467|17.734142|8.918106|5.654617|4.962953|27.434633|3.540953|3.796532|0.071424|2.570431|2.647815|0.085670|2.347634|2.207355|2.165379|4.302550|2.583098|2.143446|0.056782|1.969566|3.084807|1.583031|1.557456|1.431946|3.661904|0.078675|0.069472|0.067492|0.066492|0.057839|0.062658|0.085176|0.123532|0.216156|0.500000| |2.131601|2.453423|2.840498|3.137037|3.791420|3.310940|2.688341|2.268647|2.130636|2.290534|2.722801|3.033591|6.488513|4.951696|5.637716|8.908977|17.742553|8.930551|5.652851|31.644103|2.861809|3.286049|0.061063|2.344207|2.556822|0.083124|2.354473|2.313046|2.222270|4.232799|2.283846|1.939716|0.052769|1.796554|2.841829|1.471628|1.425524|1.346139|3.247378|0.060578|0.055167|0.055224|0.058140|0.052971|0.058916|0.079128|0.099956|0.124097|0.214204|0.500000| |2.097247|2.459953|2.916222|3.347974|3.958921|3.348134|2.865955|2.454100|2.317220|2.482630|2.908771|3.194375|7.574077|5.660175|4.956812|5.652701|8.892884|17.750171|8.977215|54.278917|2.927937|3.491671|0.063899|2.644747|3.057005|0.101528|2.944682|2.955316|2.686623|4.951454|2.383407|2.043359|0.057105|1.854666|2.952786|1.515049|1.437356|1.400864|3.387599|0.057959|0.054015|0.055464|0.062785|0.057674|0.063832|0.083332|0.100809|0.107630|0.124082|0.214497|0.500000| |4.411960|5.467729|8.900333|6.955269|6.473827|5.949989|3.641494|3.056480|2.553400|2.439886|2.709604|3.335982|11.988063|6.235627|5.808501|4.486688|3.897395|4.021261|4.887001|33.069984|17.660088|12.324741|0.181517|6.830880|6.570873|0.233016|4.477210|3.792529|3.966447|9.593214|6.907378|4.532061|0.116516|3.625044|5.256205|2.487879|2.343604|2.174949|7.300891|0.124580|0.099465|0.118243|0.085014|0.063828|0.059854|0.069695|0.100111|0.163805|0.109791|0.091174|0.094952|0.500000| |6.054278|6.600943|8.945333|5.725422|6.098637|6.381922|3.369800|2.895203|2.409173|2.270598|2.480819|3.023603|8.465036|4.403114|4.603741|3.731793|3.150067|3.084839|3.522075|24.399716|17.621982|12.470116|0.224319|5.565812|4.607959|0.138531|3.438188|2.960098|3.168384|7.344620|7.466763|4.909741|0.115497|3.995913|5.720711|2.688005|2.622895|2.303106|8.544076|0.190700|0.126407|0.158946|0.082457|0.060907|0.055943|0.063643|0.089410|0.145679|0.098439|0.076648|0.074555|0.303011|0.500000| |3.836457|4.151333|4.846820|4.170841|4.825409|4.813185|2.967149|2.845238|2.409454|2.178822|2.233687|2.564949|7.001158|3.258379|2.881320|2.454128|2.321985|2.507350|2.967364|25.032215|5.565310|12.430918|0.236242|17.663813|8.878735|0.173892|6.793060|4.895299|5.324972|12.985545|6.917872|7.100077|0.233274|4.570698|7.306300|3.159513|2.747989|2.904030|12.242078|0.097470|0.090674|0.122511|0.085737|0.063468|0.054497|0.056507|0.070303|0.081123|0.062483|0.057641|0.064586|0.140317|0.127380|0.500000| |4.595094|5.722193|7.332877|6.494032|7.032752|6.656564|4.069062|3.787219|3.046153|2.709220|2.809020|3.353890|10.374796|4.293317|3.621767|2.922456|2.710999|2.962629|3.696945|30.859979|7.128503|12.477718|0.229464|17.653489|8.888008|0.209230|6.991786|4.598875|4.400645|10.180994|5.567972|4.797243|0.137615|3.479271|5.515141|2.523437|2.299162|2.322970|8.724914|0.111421|0.106874|0.138561|0.114472|0.078094|0.066001|0.069392|0.090883|0.102628|0.072865|0.065629|0.074369|0.174139|0.145362|0.302165|0.500000| |2.774424|3.137692|3.650585|3.651980|4.320063|4.003158|2.877933|2.817652|2.479271|2.271757|2.303924|2.563839|6.882345|3.230810|2.705791|2.354600|2.333646|2.647199|3.179849|30.389962|3.822177|6.327972|0.116885|7.298251|8.803963|0.174822|17.528357|8.809516|6.838384|12.098013|3.987144|3.920412|0.128783|3.079662|5.135880|2.420280|2.115839|2.324864|6.512102|0.071025|0.069239|0.082720|0.082564|0.065779|0.057477|0.058676|0.069377|0.072711|0.058785|0.058052|0.070349|0.107882|0.088900|0.212988|0.191781|0.500000| |2.791185|3.332571|4.050805|4.440430|5.070872|4.386411|3.440894|3.258462|2.859471|2.668838|2.766764|3.117340|9.303881|4.224130|3.292011|2.812926|2.833794|3.367565|4.302674|46.018897|4.054762|5.964730|0.107029|6.330167|8.719750|0.221585|17.615679|8.660960|5.705256|10.366177|3.628885|3.287437|0.100772|2.663237|4.334965|2.090044|1.878649|1.978501|5.483783|0.071621|0.069842|0.079847|0.091841|0.073878|0.066681|0.070265|0.084677|0.085530|0.068223|0.068939|0.088959|0.120515|0.091877|0.152323|0.186791|0.300816|0.500000| |2.121539|2.359276|2.728675|2.795268|3.338970|3.060043|2.307873|2.230758|2.049548|1.955639|2.007263|2.173580|5.544002|2.849168|2.411382|2.203383|2.284840|2.647434|3.035377|30.507551|2.921522|4.464835|0.081679|4.216666|5.725360|0.137919|8.687285|17.603923|8.724898|10.372311|3.124245|3.045341|0.098228|2.617739|4.372173|2.162153|1.886453|2.091770|4.839157|0.056127|0.053831|0.061584|0.063047|0.054484|0.050585|0.052674|0.060036|0.062888|0.054982|0.058008|0.073663|0.087109|0.071041|0.116837|0.108387|0.217456|0.194410|0.500000| |2.251089|2.565603|3.090029|3.230730|3.712904|3.312024|2.539519|2.368304|2.158340|2.096777|2.212904|2.437863|6.779133|3.596632|2.946058|2.695360|2.857291|3.439693|4.017796|42.197847|3.370478|4.892672|0.086140|4.484118|6.866689|0.190441|8.828139|17.571003|8.808986|11.850270|3.396075|3.083096|0.095697|2.647511|4.257917|2.105941|1.868920|1.981340|4.818460|0.060201|0.056536|0.064059|0.065544|0.056204|0.053757|0.058455|0.068844|0.074557|0.065747|0.071416|0.096043|0.106225|0.080667|0.113780|0.114758|0.174048|0.217445|0.301706|0.500000| |2.275773|2.441371|2.823670|2.701495|3.191201|3.037975|2.124128|2.035576|1.838346|1.740220|1.795229|1.975555|5.087876|2.635680|2.327659|2.128170|2.148340|2.383873|2.675694|24.111366|3.240273|5.369766|0.096989|4.891605|6.347275|0.139337|6.603647|8.749835|17.578263|16.567311|4.154165|4.323821|0.153190|3.699078|6.108629|2.933244|2.433502|2.791756|6.298102|0.061175|0.056768|0.067654|0.058440|0.048887|0.044835|0.047051|0.055182|0.062145|0.054090|0.054880|0.064827|0.095129|0.080430|0.146523|0.112437|0.183158|0.134857|0.219806|0.174410|0.500000| |2.190137|2.384058|2.826460|2.744866|3.179615|2.971800|2.118974|1.983799|1.799996|1.737244|1.826329|2.017520|5.354196|2.900947|2.557642|2.385961|2.464211|2.767049|3.047082|27.217386|3.312353|5.113841|0.089467|4.339308|6.121819|0.154440|5.773478|8.678284|17.623428|16.566201|4.038142|3.806746|0.122911|3.395701|5.349082|2.645499|2.264118|2.443261|5.488810|0.059898|0.054512|0.063510|0.055822|0.047317|0.044767|0.048425|0.057442|0.066718|0.060107|0.063098|0.076142|0.102920|0.082692|0.117337|0.101583|0.138027|0.127618|0.191041|0.220890|0.300983|0.500000| |3.430812|3.613191|4.506422|3.733460|4.126506|4.068448|2.524967|2.292303|1.988534|1.884050|2.008132|2.321771|6.533418|3.448118|3.251888|2.877673|2.706172|2.816868|3.163833|24.319009|6.754425|12.277449|0.183133|6.864803|6.785744|0.178575|4.464284|4.138871|5.269816|14.767689|17.703991|8.775164|0.216994|6.551951|8.180496|3.631247|3.209054|2.997927|10.326584|0.097797|0.079842|0.101556|0.065664|0.051544|0.047520|0.052337|0.067102|0.090524|0.074178|0.067703|0.071851|0.198961|0.176054|0.170214|0.141552|0.113916|0.106140|0.095270|0.107760|0.131094|0.137458|0.500000| |4.287446|4.160993|4.889283|3.738034|4.261709|4.445745|2.547995|2.311246|1.986210|1.868738|1.988769|2.315368|6.067327|3.194205|3.185736|2.798381|2.529428|2.534337|2.809597|20.845309|7.480287|12.495010|0.226341|5.560578|4.663211|0.126730|3.424717|3.080326|3.593878|8.626529|17.620462|8.899924|0.174431|7.121929|8.632834|3.803445|3.616038|3.042166|12.702668|0.129681|0.096306|0.128667|0.066850|0.051513|0.047004|0.051621|0.066923|0.093559|0.074401|0.063659|0.063873|0.181240|0.247202|0.142685|0.127517|0.091150|0.086018|0.074249|0.081200|0.094182|0.094305|0.299234|0.500000| |2.658713|2.586892|2.872131|2.478109|2.965315|3.024704|1.894258|1.784061|1.589228|1.504607|1.569849|1.756310|4.279906|2.293311|2.225344|2.058706|1.968064|2.014875|2.169699|17.111947|3.609779|6.107130|0.117458|3.931971|3.757316|0.095309|3.055120|3.020435|3.867220|8.274982|6.759363|8.835562|0.217262|17.507898|16.489101|7.137321|5.414888|4.877544|10.133498|0.076468|0.064814|0.080853|0.051618|0.042109|0.038648|0.041289|0.050016|0.062630|0.054849|0.051051|0.052992|0.098617|0.102925|0.116008|0.090192|0.084440|0.073790|0.075643|0.077299|0.110857|0.105551|0.189920|0.173697|0.500000| |3.120541|2.881514|3.093441|2.575874|3.124320|3.288493|1.966232|1.849219|1.633243|1.537243|1.603561|1.806326|4.288178|2.284217|2.270218|2.080319|1.940162|1.949205|2.101863|16.188609|3.881341|6.446934|0.133464|3.789668|3.354885|0.087135|2.730218|2.581987|3.087806|6.684735|6.993945|8.861818|0.174832|17.530625|16.482725|6.922101|6.645004|4.585834|12.583193|0.092377|0.075251|0.096451|0.053871|0.043238|0.039339|0.041993|0.051428|0.065626|0.056210|0.050224|0.050607|0.100122|0.117786|0.110181|0.089927|0.075927|0.067951|0.064962|0.066935|0.086696|0.082656|0.163803|0.218403|0.299795|0.500000| |2.153590|2.050640|2.178335|1.931408|2.394552|2.466772|1.568201|1.505810|1.363794|1.291796|1.331269|1.461993|3.329329|1.791383|1.751239|1.645734|1.585317|1.615075|1.714032|13.668439|2.550202|4.092195|0.083108|2.782549|2.656212|0.067970|2.338750|2.342184|2.842036|5.516193|3.805653|4.850380|0.130323|7.457173|16.603814|17.513938|8.870810|8.904296|7.295854|0.061565|0.054315|0.065449|0.043695|0.036597|0.033547|0.035183|0.041275|0.049414|0.044376|0.041740|0.043027|0.068996|0.072915|0.083804|0.067607|0.066374|0.057856|0.061319|0.060198|0.084653|0.078191|0.103334|0.103303|0.225129|0.179051|0.500000| |2.407201|2.162505|2.181898|1.900482|2.422819|2.586513|1.579470|1.532031|1.381448|1.295141|1.324271|1.454968|3.164530|1.683117|1.673743|1.557214|1.468550|1.475091|1.572381|12.352215|2.464528|3.878160|0.084347|2.545914|2.282112|0.059132|2.025059|1.934160|2.208015|4.378257|3.357860|4.184928|0.103479|5.465153|12.593754|8.836760|17.557005|6.844842|7.776007|0.069448|0.061681|0.074683|0.045004|0.037277|0.033597|0.034795|0.040777|0.048407|0.042524|0.038588|0.038877|0.063758|0.072478|0.076520|0.064389|0.058166|0.051536|0.050808|0.050077|0.064272|0.059108|0.083962|0.097032|0.127133|0.164494|0.173556|0.500000| |2.037701|1.879233|1.927147|1.708668|2.168665|2.276610|1.428815|1.380656|1.256889|1.190135|1.221265|1.333708|2.897011|1.564541|1.558184|1.471810|1.403170|1.407946|1.482531|11.663769|2.184198|3.361964|0.070698|2.245515|2.091516|0.054692|1.871860|1.835836|2.114033|4.096394|2.940609|3.508203|0.090039|4.699906|10.067494|8.849095|17.567567|6.883614|6.020985|0.058976|0.052443|0.061664|0.040144|0.033892|0.031027|0.032329|0.037573|0.044584|0.040281|0.037185|0.037401|0.057997|0.063950|0.066554|0.056655|0.053212|0.047622|0.048474|0.047919|0.061601|0.057849|0.077029|0.084488|0.122816|0.137605|0.211929|0.300921|0.500000| |2.417564|2.205569|2.279355|1.975589|2.477164|2.615197|1.604951|1.532800|1.380351|1.306174|1.350782|1.492576|3.317699|1.792219|1.798580|1.687494|1.590608|1.586381|1.676984|13.003946|2.657398|4.110737|0.086567|2.621822|2.402604|0.063183|2.082950|2.016849|2.343202|4.706873|3.769378|4.478232|0.107222|6.599841|12.340750|8.745899|17.563859|5.474999|7.537569|0.071337|0.061031|0.073388|0.044544|0.036937|0.033821|0.035661|0.042304|0.051850|0.046246|0.041905|0.041740|0.069841|0.079742|0.076736|0.065310|0.058575|0.052857|0.052307|0.052791|0.067064|0.063946|0.096271|0.113174|0.162187|0.226951|0.212358|0.300745|0.302665|0.500000| |2.026260|1.937980|2.025592|1.826829|2.301735|2.372952|1.527805|1.497601|1.363793|1.279115|1.298496|1.411744|3.149681|1.662264|1.596344|1.487421|1.441706|1.489927|1.599113|13.099184|2.281219|3.728131|0.077408|2.707320|2.555883|0.063630|2.367821|2.354611|2.789271|5.185117|3.188550|4.192917|0.124715|5.018667|13.090845|8.848110|5.495011|17.580543|6.914277|0.056183|0.051879|0.062496|0.043927|0.037020|0.033350|0.034152|0.039280|0.044937|0.039805|0.037843|0.039930|0.061136|0.063178|0.085347|0.066887|0.069935|0.058350|0.063569|0.059049|0.087309|0.074115|0.085246|0.082676|0.135181|0.116604|0.214394|0.140354|0.140710|0.122857|0.500000| |1.871476|1.765527|1.822423|1.644491|2.090372|2.169145|1.392756|1.362732|1.247451|1.176091|1.195877|1.295878|2.822979|1.507698|1.469893|1.382748|1.336016|1.364371|1.447545|11.691981|2.037830|3.217828|0.067222|2.271554|2.145169|0.054780|1.980142|1.968127|2.281284|4.263370|2.741789|3.409388|0.095137|4.237973|10.235956|8.847514|6.848909|17.570809|5.792232|0.052625|0.048383|0.057101|0.039800|0.033879|0.030767|0.031597|0.036183|0.041580|0.037383|0.035322|0.036566|0.054569|0.057591|0.069438|0.057131|0.057522|0.049767|0.053018|0.050430|0.069086|0.061798|0.073125|0.074177|0.114242|0.108000|0.212806|0.168459|0.205094|0.140253|0.300720|0.500000| |2.142505|1.991081|2.029671|1.810364|2.311806|2.428817|1.529233|1.506011|1.367601|1.275790|1.290594|1.404457|3.063624|1.610209|1.563066|1.450448|1.389822|1.422884|1.528281|12.366122|2.255023|3.653212|0.078458|2.578817|2.347467|0.059121|2.160539|2.087153|2.395903|4.573447|3.062210|4.008775|0.111146|4.758489|12.904943|8.848676|6.860567|17.559554|7.286174|0.059576|0.055286|0.066876|0.044474|0.037227|0.033237|0.033847|0.038965|0.044555|0.039093|0.036461|0.037882|0.059157|0.063450|0.080844|0.064977|0.063838|0.054200|0.056033|0.052872|0.072783|0.063213|0.078762|0.082022|0.117319|0.119289|0.173860|0.204189|0.169991|0.139946|0.300821|0.300897|0.500000| 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