Version2.1 2021-01-10T07:24:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2=[NH+]CC(=c2c1)C3=NN[C@H](O3)SCC(=O)NC(=O)NC45CC6CC(C4)CC(C6)C5 C38719981 RHF 6-31G(d) (6D,7F) c1ccc2=[NH+]CC(=c2c1)C3=NN[C@H](O3)SCC(=O)NC(=O)NC45CC6CC(C4)CC(C6)C5 C01[X(C23H28N5O3S1)] 174 C1 540 O=C(NC(=O)NC12CC3CC(C2)CC(C1)C3)CS[C@@H]1NN=C(O1)C1=c2ccccc2=[NH+]C1 O=C(NC(=O)NC12CC3CC(C2)CC(C1)C3)CS[C@@H]1NN=C(O1)C1=c2ccccc2=[NH+]C1 O=C(CS[C@@H]1NN=C(O1)C2=C3C=CC=CC3=[NH+]C2)NC(=O)NC45CC6CC(CC(C6)C4)C5 InChIKey=JLKASNKJHBTMGX-KNBCDEMBSA-O InChI=1S/C23H27N5O3S/c29-19(25-21(30)26-23-8-13-5-14(9-23)7-15(6-13)10-23)12-32-22-28-27-20(31-22)17-11-24-18-4-2-1-3-16(17)18/h1-4,13-15,22,28H,5-12H2,(H2,25,26,29,30)/p+1/t13?,14?,15?,22-,23?/m1/s1 InChI=1/C23H27N5O3S/c29-19(25-21(30)26-23-8-13-5-14(9-23)7-15(6-13)10-23)12-32-22-28-27-20(31-22)17-11-24-18-4-2-1-3-16(17)18/h1-4,13-15,22,28H,5-12H2,(H2,25,26,29,30)/p+1/t13?,14?,15?,22-,23?/m1/s1/fC23H28N5O3S/h24-26H/q+1 c1ccc2=[NH+]CC(=c2c1)C3=NN[C@H](O3)SCC(=O)NC(=O)NC45CC6CC(C4)CC(C6)C5 C01[X(C23H28N5O3S1)] 174 C01 540 O=C(NC(=O)NC12CC3CC(C2)CC(C1)C3)CS[C@@H]1NN=C(O1)C1=c2ccccc2=[NH+]C1 O=C(NC(=O)N[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)CS[C@@H]1NN=C(O1)C1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1 O=C(CS[C@@H]1NN=C(O1)C2=C3C=CC=C[C]3NC2)NC(=O)NC45CC6CC(CC(C6)C4)C5 InChIKey=NKZBTQANARSZEW-PJPGLTJPSA-N InChI=1S/C23H28N5O3S/c29-19(25-21(30)26-23-8-13-5-14(9-23)7-15(6-13)10-23)12-32-22-28-27-20(31-22)17-11-24-18-4-2-1-3-16(17)18/h1-4,13-15,22,24,28H,5-12H2,(H2,25,26,29,30)/t13-,14+,15-,22-,23-/m1/s1 InChI=1/C23H28N5O3S/c29-19(25-21(30)26-23-8-13-5-14(9-23)7-15(6-13)10-23)12-32-22-28-27-20(31-22)17-11-24-18-4-2-1-3-16(17)18/h1-4,13-15,22,24,28H,5-12H2,(H2,25,26,29,30)/t13-,14+,15-,22-,23-/m1/s1/f/h25-26H 3202.5868178297 -1781.4136073 1-A 29166.0639 120 420 540 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.04906 -20.74532 -20.62205 -20.58980 -15.78848 -15.75893 -15.73855 -15.68007 -15.64478 -11.49545 -11.48183 -11.47764 -11.46791 -11.45220 -11.44949 -11.44824 -11.42844 -11.42106 -11.40602 -11.39590 -11.38917 -11.36550 -11.32363 -11.27426 -11.27129 -11.26529 -11.26417 -11.25854 -11.25817 -11.25738 -11.25701 -11.25362 -9.05945 -6.74215 -6.74047 -6.73840 -1.62242 -1.49894 -1.49363 -1.46831 -1.45077 -1.33167 -1.31803 -1.29980 -1.29071 -1.24717 -1.20717 -1.18428 -1.17119 -1.16529 -1.09126 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0.1368 0.5094 0.3900 0.5215 0.3001 0.3703 0.3692 0.5068 0.3295 0.1978 0.2673 0.3233 0.3618 0.3515 0.1929 0.3512 0.9439 0.3560 0.3297 1.1316 0.9077 0.5878 0.5330 1.4377 1.0634 1.0654 1.4727 1.9666 1.6997 1.9675 1.9033 1.7252 1.9419 1.4702 0.6184 1.4804 1.2179 1.9235 2.2635 2.6930 1.2848 1.1728 4.1442 0.9254 0.8799 0.9019 1.6855 1.2511 1.3256 1.2862 1.3585 1.7215 1.5184 2.0521 1.3880 4.5728 3.4699 2.6662 2.3590 2.3126 0.9817 1.2560 1.4179 1.5179 1.1006 2.6809 2.5261 1.8335 1.1767 1.3068 0.9220 1.5488 1.1435 2.9989 1.6354 1.7888 1.1915 1.2182 1.0905 1.2241 1.1981 1.7023 2.0718 2.5210 1.8216 2.4122 2.0985 2.2371 2.2912 2.3070 2.2292 1.8403 1.7364 2.0268 2.4943 2.0858 2.3400 1.7935 2.1928 2.1732 2.1578 2.1375 4.8810 2.1423 2.4268 1.8284 2.4196 3.3515 1.6860 1.7304 1.7333 1.7782 5.4764 1.7673 1.7750 1.8923 2.6574 2.9793 9.5523 9.1124 11.9897 20.0178 19.4310 28.9589 6.3217 6.3945 6.4034 6.4493 6.4194 6.4880 6.6995 6.6339 6.6475 6.6583 6.7817 6.7545 6.7142 6.5494 6.8147 6.5912 6.9479 7.0341 6.9855 7.1183 7.3966 7.4890 7.5285 7.6396 9.3387 9.4196 9.5321 9.5200 1.6607 1.6325 0.6640 1.2612 0.8183 8.1798 3.7071 0.3931 0.4751 2.7656 1.4694 3.2413 0.2809 5.5683 1.2052 12.3282 0.7881 3.8471 11.5962 0.6928 11.1293 11.5629 0.0165 17.3217 4.5099 6.0122 3.9200 0.1212 0.8172 0.7907 2.7278 61.5148 6.9433 65.6912 23.8348 6.2785 78.5912 24.8002 59.9371 65.7487 29.0103 8.7036 25.4917 19.1095 274.2871 26.5265 0.1120 0.7194 7.9918 3.3736 4.3629 141.1201 8.5155 9.1127 143.6749 17.6750 107.6896 3.0632 3.7454 41.1474 124.5161 26.4038 20.6772 17.4045 12.3724 0.8606 0.0549 0.0061 1.6874 3.1547 24.2548 4.6879 0.7344 19.4173 6.6292 31.8797 0.1859 5.5031 43.6843 11.1605 12.7358 23.9497 0.1834 0.0648 0.1094 1.0838 1.9001 25.4697 105.5969 54.4895 3.8243 11.0463 0.8310 77.4225 40.9331 50.8441 49.8428 451.1590 147.2438 105.0662 2.6272 1.7186 1.6925 7.2610 160.5855 302.4625 9.9075 36.1720 52.4955 0.5397 4.0210 3.1104 45.6098 148.7475 0.0052 1.3632 18.2474 4.1628 135.3351 89.9046 3.4028 0.7190 7.9900 1.0238 158.3190 19.1984 20.0886 32.3808 9.6724 18.4304 10.3225 1.2409 0.4624 14.3332 548.1517 5.0611 4.0368 32.9392 319.3266 918.2364 22.4168 97.4767 600.2943 57.0095 78.5338 440.4812 29.5588 14.6571 10.5603 42.7197 9.3967 41.8476 17.9907 118.0413 163.0859 38.1701 49.7269 15.9026 24.5906 8.2653 133.3440 15.7546 7.6465 0.3223 21.2877 1.9660 2.2450 1.1269 0.4763 3.8668 106.2096 18.9752 251.3423 37.8127 2.4599 2.4824 6.2857 1.9861 1.6139 0.8700 4.2336 0.1830 0.9462 0.2993 0.7306 1.5474 1.4941 1.8648 4.4678 0.8443 13.0128 5.5174 4.4111 0.1223 1.6038 1.3260 0.0220 6.5733 0.8986 3.3658 0.8564 0.6218 1.5647 0.7314 0.5218 0.8771 0.8691 3.3472 8.4207 6.7564 3.2771 0.4663 32.5345 2.9918 1.6706 10.1181 5.2599 13.8143 520.0115 2.5793 2.1710 2.1224 3.7010 6.6422 23.3350 34.0147 75.4652 7.3146 78.8783 21.2168 9.0943 3.3827 0.2367 78.5459 122.1145 16.2226 20.6318 14.8893 9.2922 0.1614 0.0616 0.1951 2.4429 4.0213 7.4282 8.5609 6.7416 31.2981 14.2666 5.7611 8.9952 15.6099 187.9548 44.6180 6.9609 8.8841 4.9012 0.0146 0.0304 1.0678 3.7740 9.1641 171.8501 10.6373 2.2436 2.3621 0.1542 2.5357 3.4425 95.6391 4.4472 5.2303 78.8068 7.8174 8.6633 24.4876 26.1641 28.6297 4.2580 66.3122 16.0268 249.0112 18.5965 0.0218 0.1354 0.2895 5.4964 71.9415 0.0060 1.0429 2.3982 1.0982 18.8577 9.7249 0.3646 0.3147 1.4675 1.0214 88.7697 0.9572 75.8879 342.1282 8.6822 43.1017 16.7236 27.7802 27.0442 23.0802 1641.1278 0.8865 1.2414 0.6074 2.8066 3.8931 784.8727 493.1062 1720.0585 1251.0139 1.7385 9.0819 32.5220 42.0579 23.3162 73.3960 51.4085 32.4058 72.8106 75.3711 38.2437 123.3281 62.2184 183.6967 267.7101 170.5263 203.9025 41.5393 32.0749 96.0276 68.9236 25.7976 77.7019 121.2015 250.9124 59.1908 290.8658 33.4999 109.9205 37.1367 0.7410 0.7486 0.7481 0.7401 0.7480 0.7474 0.7311 0.6559 0.6659 0.6863 0.7103 0.7136 0.1981 0.2275 0.2991 0.6120 0.5236 0.3102 0.3754 0.7019 0.3709 0.7345 0.6881 0.6396 0.7210 0.4848 0.1995 0.7152 0.6800 0.6964 0.6862 0.7472 0.2862 0.2470 0.3124 0.4023 0.6797 0.7451 0.2151 0.7432 0.7310 0.1533 0.7495 0.3571 0.3653 0.7238 0.7473 0.7495 0.5152 0.6704 0.0969 0.6226 0.4238 0.7383 0.6124 0.1510 0.7489 0.4889 0.4181 0.3150 0.2374 0.3798 0.4129 0.4059 0.6003 0.7309 0.6392 0.3902 0.3811 0.4010 0.2082 0.7480 0.7494 0.7268 0.7497 0.1927 0.7500 0.2512 0.3740 0.2572 0.2511 0.7324 0.7491 0.3361 0.7500 0.1493 0.7498 0.4686 0.3035 0.7461 0.7497 0.7488 0.7498 0.2080 0.3004 0.4050 0.2526 0.3016 0.1854 0.7365 0.7266 0.7439 0.7499 0.6923 0.5249 0.2663 0.7480 0.2623 0.4275 0.4428 0.3879 0.4085 0.5589 0.4175 0.7444 0.7486 0.5499 0.7205 0.1986 0.6732 0.5216 0.5631 0.7424 0.7332 0.2627 0.1698 0.2838 0.2160 0.4191 0.6544 0.3780 0.7496 0.7493 0.2750 0.3064 0.4080 0.0805 0.1569 0.3868 0.4685 0.3672 0.3307 0.3510 0.3299 0.6476 0.2550 0.3021 0.4850 0.6338 0.5190 0.4274 0.3090 0.7178 0.7190 0.5895 0.3526 0.6041 0.1983 0.0148 0.2027 0.4821 0.0693 0.4563 0.7499 0.3912 0.6319 0.6790 0.6951 0.1378 0.1343 0.2542 0.2054 0.3845 0.1269 0.8513 0.8562 0.8559 0.8506 0.8558 0.8555 0.8446 0.7922 0.7994 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0.8357 0.8365 0.7417 0.5214 0.7532 0.3310 0.0291 0.3371 0.6506 0.1297 0.6266 0.8571 0.5624 0.7744 0.8088 0.8201 0.2423 0.2368 0.4054 0.3407 0.5554 0.2252 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 6 6 6 6 7 1 6 6 6 6 6 7 7 6 1 8 16 6 6 8 7 6 8 7 6 6 6 6 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 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 1.00783 15.99491 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 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 7133.6174 47988.7445 51534.6722 0.99999 0.00299 0.00133 -0.00299 0.99999 -0.00284 -0.00134 0.00284 1.00000 1 0.01214 0.00180 0.00168 0.25299 0.03761 0.03502 14.00 14.31 22.97 42.96 52.44 81.92 104.39 108.61 136.72 142.49 154.98 182.92 202.87 235.46 287.62 299.06 320.64 342.98 371.82 430.48 445.44 460.03 484.73 500.38 544.37 578.71 586.03 618.87 623.47 624.52 631.13 664.53 697.02 711.01 713.15 715.96 720.25 760.96 770.84 793.44 855.79 872.26 875.63 901.76 934.09 953.78 1011.04 1013.05 1044.68 1065.27 1126.19 1134.52 1166.12 1191.41 1195.23 1201.28 1240.92 1242.61 1257.47 1288.54 1310.80 1360.50 1373.27 1373.59 1406.81 1407.66 1409.88 1419.88 1429.23 1458.07 1460.37 1475.10 1506.15 1516.49 1527.43 1537.20 1544.79 1551.31 1563.47 1573.61 1599.69 1623.17 1630.71 1636.58 1653.81 1660.69 1665.45 1672.40 1727.49 1738.23 1763.29 1765.37 1771.67 1784.95 1787.62 1790.95 1808.12 1830.29 1848.66 1866.60 1872.24 1903.14 1906.94 1917.56 1951.85 2009.96 2033.40 2055.20 2058.28 2087.39 2090.32 2091.39 2120.43 2122.90 2136.53 2141.13 2141.32 2144.18 2164.56 2182.37 2188.73 2189.51 2210.65 2212.78 2213.00 2221.90 2260.72 2276.85 2290.10 2317.44 2322.08 2350.70 2353.67 2370.35 2371.17 2375.18 2377.35 2410.97 2415.62 2440.99 2513.43 2548.53 2639.48 2705.15 2848.82 2953.31 4567.60 4592.85 4593.62 4599.13 4600.64 4608.18 4627.98 4634.60 4638.32 4639.26 4646.20 4647.71 4651.55 4659.77 4660.35 4674.56 4723.22 4727.51 4736.50 4755.50 4880.60 4904.29 4911.91 4943.48 5513.51 5541.37 5563.81 5569.15 0.538232 0.563980 0.564925 0.477083 -1780.875376 -1780.849627 -1780.848683 -1780.936525 2.946235D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2021 DUDE c1ccc2=[NH+]CC(=c2c1)C3=NN[C@H](O3)SCC(=O)NC(=O)NC45CC6CC(C4)CC(C6)C5 C38719981 RHF 6-31G(d) (6D,10F) C1 454.191287 |X|Y|Z| 158.102277 54.788033 34.167176 66.641430 30 6 7 8 16 23 5 1 1 |36.858105| |13.160189|36.858105| |7.703845|14.055174|36.858105| |6.818196|8.082576|13.462040|36.858105| |4.656825|5.260820|7.723499|14.492997|53.358707| |3.950894|4.644635|6.820763|9.274452|26.004122|0.500000| |4.097432|4.149325|5.193446|8.350451|17.936864|0.244445|36.858105| |5.139596|4.656139|5.301950|8.452896|11.320975|0.162381|12.716995|36.858105| |7.975566|6.891424|7.651795|13.167185|11.467052|0.164154|8.163448|14.046513|36.858105| |14.200775|7.850925|6.592227|7.622003|7.190703|0.117430|5.061170|7.413999|13.204264|36.858105| |4.157788|3.611398|3.835381|5.176195|7.050004|0.114961|7.438244|13.159611|7.507239|5.828019|36.858105| |4.177059|3.433418|3.439472|4.307312|5.515193|0.093298|5.085367|7.891985|6.232123|5.899244|15.165390|53.358707| |3.222033|2.756009|2.778653|3.358442|4.492559|0.079038|4.128164|5.422209|4.362965|4.152556|9.092572|18.925681|53.358707| |2.854418|2.554258|2.666812|3.274000|4.638354|0.082653|4.492423|5.337545|4.025101|3.569970|8.653297|11.345394|17.792076|36.858105| |2.702884|2.440587|2.549330|3.092310|4.397238|0.079320|4.170204|4.774155|3.714180|3.319415|6.936469|9.168831|12.188808|17.538362|0.500000| |3.238650|2.949130|3.188081|4.143054|6.122674|0.105500|6.679732|7.949296|5.154594|4.150565|14.160906|11.780164|11.721896|13.327674|0.258894|73.516695| |2.309872|2.116320|2.210634|2.624277|3.771542|0.069710|3.487674|3.779239|3.041565|2.755578|5.067594|6.714823|9.382434|10.674673|0.227732|12.530927|388.023441| |2.382646|2.174432|2.256473|2.659442|3.769163|0.069576|3.408202|3.742085|3.087448|2.833389|4.826622|6.499314|8.385523|6.893958|0.142610|10.613064|74.671363|36.858105| |2.019169|1.874149|1.942866|2.233183|3.177798|0.060084|2.770722|2.918698|2.501733|2.326214|3.498304|4.706761|5.698627|4.605960|0.106747|7.373628|49.878839|12.492914|36.858105| |1.843234|1.726749|1.797197|2.054355|2.949400|0.056361|2.559589|2.638463|2.268112|2.103096|3.117493|4.156037|5.002414|4.214335|0.102794|6.662508|47.899385|8.022813|16.078414|73.516695| |1.964396|1.825262|1.876675|2.123493|2.982964|0.056689|2.529836|2.673104|2.360074|2.232056|3.095523|4.221549|4.878454|3.679937|0.086780|6.153899|34.075761|7.880201|13.851435|14.884126|53.358707| |1.740459|1.639151|1.687116|1.879800|2.648425|0.051089|2.198340|2.271908|2.043052|1.939287|2.543398|3.439460|3.854189|2.922814|0.071472|4.988055|26.082268|5.059530|7.685110|11.677973|18.292417|36.858105| |1.634682|1.556187|1.614955|1.798402|2.564395|0.049929|2.127113|2.151810|1.928295|1.812035|2.381597|3.167293|3.523492|2.749428|0.068390|4.738255|24.774943|4.449015|6.629048|11.780283|11.355049|16.035947|73.516695| |1.685059|1.583231|1.612429|1.771889|2.461984|0.047559|2.005736|2.092955|1.922607|1.857177|2.312066|3.176589|3.498309|2.564394|0.063266|4.394126|21.700507|4.068242|5.317575|8.187980|11.331442|14.049391|14.896364|53.358707| |1.508125|1.430336|1.455539|1.579686|2.194713|0.042816|1.760523|1.816037|1.689575|1.638411|1.968641|2.694237|2.918549|2.146331|0.054013|3.710049|17.756581|3.113207|3.864230|6.382321|6.998029|7.607917|11.635254|17.609233|36.858105| |1.484651|1.402887|1.412881|1.516895|2.081295|0.040564|1.648976|1.718516|1.624200|1.599170|1.849910|2.563695|2.745093|1.973030|0.049849|3.413272|15.810328|2.734899|3.194499|5.211746|5.580735|5.111528|7.755475|10.747122|12.383231|36.858105| |1.335987|1.272692|1.282106|1.364435|1.873967|0.036796|1.469861|1.518013|1.445095|1.424209|1.614729|2.227429|2.362386|1.708342|0.043725|2.971178|13.535506|2.258150|2.589827|4.352145|4.271490|3.810774|6.264785|6.848094|7.549116|12.400054|36.858105| |1.314303|1.264199|1.281934|1.361758|1.881643|0.037182|1.468439|1.497853|1.426812|1.395221|1.574593|2.144824|2.251437|1.644361|0.042137|2.903219|12.959120|2.153010|2.453817|4.143964|3.994793|3.582366|6.142939|6.059972|6.443300|7.604806|12.403896|36.858105| |1.330066|1.283793|1.313158|1.406185|1.963574|0.038883|1.545004|1.560493|1.469983|1.420533|1.645154|2.218498|2.343031|1.739837|0.044541|3.077919|13.960486|2.322485|2.719879|4.662154|4.427832|4.191857|7.613967|6.778102|7.574625|6.502480|7.603006|12.407011|36.858105| |1.476760|1.417964|1.454846|1.574905|2.206008|0.043409|1.757011|1.780800|1.659831|1.594158|1.895923|2.550111|2.714698|2.021587|0.051057|3.577218|16.492800|2.850237|3.445667|5.764631|5.937003|6.146273|10.870962|10.450840|12.383754|7.625660|6.473430|7.584610|12.389631|36.858105| |1.241816|1.197298|1.224160|1.311580|1.834482|0.036351|1.448102|1.461988|1.372921|1.327401|1.550764|2.097518|2.235308|1.671079|0.043173|2.920134|13.560164|2.200731|2.608470|4.611747|4.122276|3.892254|7.347982|6.005056|6.469494|5.386998|6.479671|7.591826|12.397034|7.590572|36.858105| |1.259555|1.204038|1.223803|1.313362|1.826465|0.035972|1.448670|1.479912|1.388511|1.351688|1.588127|2.173352|2.342326|1.737204|0.044859|2.987370|14.213555|2.311297|2.770522|4.898375|4.422639|4.182928|7.544636|6.755990|7.568239|6.491000|7.597374|6.473515|7.588438|6.462058|12.398348|36.858105| |1.246396|1.188057|1.198638|1.277199|1.760310|0.034620|1.385264|1.426465|1.352240|1.330109|1.524715|2.104427|2.251334|1.642490|0.042414|2.827475|13.163665|2.144691|2.491553|4.308249|3.992515|3.578340|6.108372|6.047938|6.445003|7.596255|12.401685|7.593064|6.476176|5.362437|7.591323|12.404366|36.858105| |1.381742|1.312357|1.335748|1.447336|2.016225|0.039457|1.618717|1.663468|1.544843|1.498400|1.809900|2.482063|2.713655|2.017500|0.051541|3.436934|16.916560|2.829742|3.551088|6.232435|5.925377|6.120210|10.675305|10.375205|12.373065|7.610715|6.472324|5.362263|6.467565|7.567822|7.595820|12.390860|7.588563|36.858105| |17.756602|8.771704|5.585948|4.929234|5.021567|0.089951|3.351509|4.103447|5.635856|9.053215|3.563987|5.076092|4.046814|2.599748|0.068741|5.070801|15.226386|2.215099|1.899337|3.088020|2.535375|1.659411|2.762235|2.207660|1.458863|1.449038|1.307856|1.281189|1.287548|1.421835|1.203890|1.225483|1.220241|1.339335|0.500000| |8.795455|17.723807|9.093539|5.705897|5.717138|0.108546|3.396539|3.687836|4.963151|5.651461|3.004426|3.951461|3.270925|2.236464|0.059761|4.495304|13.459320|1.946362|1.704180|2.806176|2.274833|1.516582|2.565477|2.007563|1.344191|1.325948|1.211130|1.204844|1.218147|1.335356|1.136919|1.141789|1.131021|1.236361|0.215730|0.500000| |5.517748|8.943552|17.754809|8.759704|9.243209|0.192934|4.542793|4.301941|5.492465|4.807490|3.255382|3.975070|3.318981|2.384057|0.063796|5.016439|14.392345|2.061023|1.804410|2.991310|2.379329|1.590001|2.725880|2.070348|1.384827|1.343379|1.227575|1.234484|1.266081|1.394375|1.180901|1.174381|1.149240|1.274298|0.123137|0.216688|0.500000| |3.558454|3.599115|4.381819|6.301987|12.326013|0.205275|17.557596|8.863395|6.197421|4.281538|6.607234|6.334029|5.443622|4.464966|0.111272|11.920132|26.176167|3.737961|3.049892|4.970691|3.791764|2.417377|4.177231|2.968472|1.903720|1.764990|1.566457|1.574808|1.670415|1.917489|1.556202|1.547227|1.470633|1.736921|0.083058|0.084122|0.110365|0.500000| |3.559497|3.600949|4.384475|6.305775|12.328785|0.205274|17.558157|8.870731|6.199385|4.281943|6.625929|6.379349|5.424173|4.576298|0.124593|11.776509|25.160503|3.258812|2.680882|4.503205|3.272852|2.102264|3.655629|2.593931|1.681254|1.567520|1.404242|1.400902|1.479756|1.674425|1.400170|1.402740|1.335274|1.564940|0.083074|0.084163|0.110435|0.300963|0.500000| |8.991150|5.574270|4.808822|5.494877|5.838996|0.098119|4.423617|6.568741|8.738426|17.773365|6.140934|9.752498|6.579049|3.874449|0.099125|7.628241|20.906486|3.028613|2.453923|3.917082|3.200392|2.019729|3.323611|2.640080|1.698713|1.663670|1.472505|1.429362|1.450836|1.632838|1.359301|1.395615|1.376771|1.555096|0.214551|0.123786|0.105112|0.107533|0.107516|0.500000| |3.018766|2.567873|2.544562|2.987682|3.946565|0.070465|3.486438|4.433239|3.797167|3.785212|6.499326|13.090670|25.964039|9.045351|0.219788|10.907967|41.983536|5.114608|3.762125|6.023754|4.450033|2.634208|4.285667|3.300282|2.044137|1.940640|1.679020|1.587754|1.642120|1.884251|1.579089|1.667819|1.611306|1.923512|0.079213|0.063040|0.062433|0.092813|0.095208|0.124518|0.500000| |2.503309|2.237892|2.278481|2.659261|3.663336|0.067099|3.243097|3.724050|3.156922|2.995638|4.868530|7.125163|9.524244|6.502635|0.135253|9.700031|56.191823|17.610065|8.804708|10.815620|9.851562|4.705643|7.055627|5.520909|3.088643|2.803235|2.291516|2.150861|2.270829|2.764972|2.142496|2.279496|2.158870|2.780841|0.065312|0.055661|0.057300|0.096200|0.084968|0.091322|0.164064|0.500000| |2.554000|2.353718|2.479752|2.972804|4.280847|0.078589|3.951263|4.258790|3.432866|3.055805|5.354112|6.703951|7.819957|6.490551|0.134134|11.923918|56.170850|17.581995|8.929548|11.282882|9.427908|4.771885|7.621594|5.291072|3.023508|2.663588|2.214986|2.153161|2.329358|2.868401|2.169259|2.230561|2.074997|2.689388|0.065007|0.058055|0.062814|0.125709|0.102083|0.088907|0.127752|0.301275|0.500000| |2.110372|1.943185|1.983035|2.241190|3.107242|0.058616|2.619725|2.824377|2.517845|2.406733|3.268765|4.526406|5.151603|3.707309|0.086218|6.290230|31.954432|7.647073|9.341954|10.837348|26.051816|9.234682|10.962294|10.640633|4.888887|4.185919|3.150238|2.930771|3.142686|4.165625|2.853654|3.051575|2.857648|3.960055|0.055693|0.049312|0.050978|0.079896|0.068045|0.070904|0.095210|0.223425|0.197384|0.500000| |1.739585|1.618180|1.633536|1.791623|2.463174|0.047294|2.004317|2.126980|1.964936|1.921641|2.370372|3.317958|3.676674|2.628929|0.064617|4.444623|21.944950|4.149155|5.177997|7.759063|10.866399|9.525142|10.971193|26.035147|9.087533|7.767615|4.814153|4.043899|4.201192|5.759838|3.794413|4.401965|4.224685|6.316590|0.046768|0.041865|0.042575|0.059958|0.052756|0.056312|0.071400|0.120794|0.107679|0.234222|0.500000| |1.490114|1.397477|1.399221|1.502084|2.049714|0.039783|1.627544|1.713483|1.621187|1.608709|1.861393|2.612208|2.821959|2.006865|0.050779|3.422240|16.088077|2.767315|3.212602|5.236770|5.553720|4.830954|7.176290|9.816519|8.801811|17.481845|8.808428|5.513388|4.855785|5.519997|4.458001|5.738479|6.932534|6.945983|0.040577|0.036682|0.036816|0.048027|0.043082|0.046862|0.055966|0.080276|0.073388|0.116600|0.229200|0.500000| |1.571830|1.484381|1.492004|1.598712|2.184074|0.042500|1.722620|1.801150|1.711962|1.690150|1.926287|2.668076|2.824140|2.010817|0.050482|3.518924|15.841737|2.782904|3.160391|5.036889|5.567170|4.847311|7.227144|9.878417|8.816977|17.511666|8.785721|6.927842|5.746867|6.966911|4.458866|4.851093|5.505733|5.518622|0.042622|0.038966|0.039350|0.051337|0.045099|0.048770|0.055110|0.079987|0.076630|0.121390|0.205987|0.301790|0.500000| |1.313751|1.249752|1.251851|1.323959|1.806811|0.035468|1.408114|1.460998|1.402200|1.392924|1.548099|2.147414|2.263500|1.621251|0.041609|2.821017|12.659703|2.095574|2.348824|3.930870|3.816370|3.257119|5.316457|5.688681|5.505540|8.859288|17.537299|8.813950|5.516326|4.858492|4.848786|5.514017|8.813285|4.857840|0.035912|0.033160|0.033296|0.041448|0.037311|0.040055|0.044899|0.059731|0.057157|0.079583|0.116510|0.214066|0.213336|0.500000| |1.226490|1.183990|1.199660|1.267670|1.750765|0.034723|1.358724|1.381612|1.321759|1.294853|1.445221|1.967943|2.057984|1.504872|0.038838|2.658287|11.779793|1.921184|2.164988|3.699002|3.436251|3.006520|5.250472|4.870904|4.826430|5.514005|8.805523|17.525753|8.792144|5.502141|6.916043|5.723950|6.928041|4.443549|0.033288|0.031472|0.032206|0.040301|0.036130|0.036767|0.040480|0.053271|0.053348|0.069812|0.092082|0.123276|0.141412|0.212256|0.500000| |1.370122|1.319805|1.337120|1.416481|1.951780|0.038571|1.515592|1.546996|1.481040|1.450312|1.615551|2.197252|2.286027|1.660183|0.042378|2.957453|12.927638|2.166560|2.426719|4.037296|3.967326|3.466934|5.842053|5.846363|5.690159|6.915694|8.791005|17.511561|8.791704|6.905439|5.504690|4.839074|5.505610|4.436738|0.037103|0.034970|0.035776|0.045235|0.039908|0.041167|0.044596|0.060407|0.060917|0.082614|0.110045|0.141298|0.207404|0.212984|0.302988|0.500000| |1.303356|1.267123|1.301666|1.390207|1.949121|0.038813|1.525359|1.526360|1.440748|1.386150|1.593587|2.132291|2.233033|1.666864|0.042803|2.979929|13.259636|2.183483|2.517890|4.336054|4.006796|3.676285|6.844279|5.613137|5.516113|4.871223|5.518280|8.824066|17.538106|8.858602|8.820783|5.512408|4.851686|4.853016|0.034973|0.033462|0.035032|0.045940|0.040579|0.039075|0.043336|0.058874|0.061628|0.079225|0.098133|0.106976|0.128548|0.123432|0.212313|0.212938|0.500000| |1.562330|1.502251|1.541786|1.667231|2.330007|0.045819|1.847323|1.873388|1.753872|1.684082|1.978429|2.652460|2.790671|2.062291|0.051738|3.699812|16.529850|2.905066|3.404101|5.532855|5.923280|5.709649|9.562062|9.657744|8.840364|6.992960|5.746057|6.930197|8.778343|17.514637|5.502443|4.843945|4.454071|5.507845|0.041722|0.039274|0.041027|0.056283|0.048434|0.047758|0.053428|0.078828|0.083030|0.120768|0.155858|0.142372|0.210980|0.128690|0.141372|0.207659|0.212589|0.500000| |1.476941|1.423809|1.471891|1.603278|2.268228|0.044753|1.819319|1.824196|1.683949|1.600426|1.944473|2.588043|2.766133|2.097122|0.053031|3.722219|17.386050|2.982964|3.693789|6.330962|6.201734|6.654056|13.595007|9.443278|8.814299|5.528530|4.844531|5.509837|8.798282|17.604218|6.908796|5.701589|4.439223|6.884684|0.039287|0.037140|0.039258|0.055532|0.048409|0.045372|0.053063|0.078315|0.083789|0.115678|0.142605|0.123402|0.142278|0.106852|0.123127|0.141406|0.213966|0.302397|0.500000| |1.166051|1.127690|1.151254|1.226345|1.712162|0.034037|1.342442|1.352932|1.277945|1.239250|1.426457|1.930559|2.045323|1.525598|0.039658|2.671582|12.233439|1.955396|2.270795|4.026346|3.517553|3.185887|5.959747|4.840750|4.835878|4.453808|5.719385|6.916266|8.797936|5.506659|17.521929|8.797019|6.912669|5.508397|0.031484|0.029864|0.030947|0.039894|0.036117|0.035180|0.040287|0.053099|0.053672|0.068419|0.088056|0.106062|0.106060|0.127619|0.207308|0.141314|0.212675|0.123028|0.141287|0.500000| |1.238916|1.197906|1.231199|1.324407|1.864911|0.037035|1.478435|1.481766|1.382870|1.327685|1.572870|2.113182|2.258338|1.708958|0.044255|2.989601|14.011431|2.253377|2.703113|4.875368|4.192340|3.995592|8.009733|5.769294|5.729780|4.461519|4.847001|5.507643|8.795241|6.924397|17.526878|8.796837|5.507537|6.929159|0.033237|0.031536|0.033040|0.044286|0.039884|0.037675|0.044191|0.060033|0.061770|0.078950|0.099587|0.106217|0.106270|0.106689|0.141287|0.123089|0.212907|0.141141|0.207191|0.302893|0.500000| |1.195378|1.143553|1.162347|1.246234|1.734856|0.034218|1.375978|1.403399|1.316161|1.281526|1.507630|2.064905|2.231864|1.662791|0.043286|2.842963|13.634227|2.167462|2.587097|4.672398|3.999780|3.665446|6.757235|5.591205|5.511530|4.863513|5.515990|4.851271|5.512248|4.849307|8.820350|17.541418|8.822593|8.852507|0.032338|0.030160|0.031024|0.040647|0.037231|0.036765|0.044393|0.059205|0.057707|0.076044|0.103880|0.128344|0.106882|0.123406|0.127948|0.106647|0.123418|0.106755|0.127660|0.212654|0.212874|0.500000| |1.246372|1.181859|1.187387|1.265111|1.736783|0.034051|1.368933|1.419630|1.346832|1.331914|1.526631|2.124528|2.285952|1.656973|0.042868|2.824361|13.282459|2.152238|2.490485|4.308331|3.963872|3.461080|5.791967|5.828629|5.693103|6.905529|8.789918|5.505735|4.841360|4.438036|5.504886|8.791884|17.513198|6.909710|0.034002|0.031250|0.031536|0.040160|0.036716|0.038499|0.045777|0.060807|0.057146|0.079082|0.118525|0.207504|0.141086|0.212946|0.141500|0.123055|0.106668|0.106062|0.105678|0.141252|0.123098|0.212879|0.500000| 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