Version2.0 2020-07-20T05:31:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1cccc(c1N2C(=O)[C@H]3[C@H]([NH2+][C@@]([C@@H]3C2=O)([C@@H](C)O)C(=O)[O-])c4ccc(cc4)C(=O)OC)CC C43221843 RHF 6-31G(d) (6D,7F) CCc1cccc(c1N2C(=O)[C@H]3[C@H]([NH2+][C@@]([C@@H]3C2=O)([C@@H](C)O)C(=O)[O-])c4ccc(cc4)C(=O)OC)CC C01[X(C27H30N2O7)] 192 C1 600 COC(=O)c1ccc(cc1)[C@H]1[NH2+][C@@]([C@H]2[C@H]1C(=O)N(C2=O)c1c(CC)cccc1CC)([C@H](O)C)C(=O)[O-] COC(=O)c1ccc(cc1)[C@H]1[NH2+][C@@]([C@H]2[C@H]1C(=O)N(C2=O)c1c(CC)cccc1CC)([C@H](O)C)C(=O)[O-] CCc1cccc(CC)c1N2C(=O)[C@H]3[C@H]([NH2+][C@]([C@@H](C)O)([C@@H]3C2=O)C([O-])=O)c4ccc(cc4)C(=O)OC InChIKey=BZBVVHMUMCVLFH-AZENZDPGSA-N InChI=1S/C27H30N2O7/c1-5-15-8-7-9-16(6-2)22(15)29-23(31)19-20(24(29)32)27(14(3)30,26(34)35)28-21(19)17-10-12-18(13-11-17)25(33)36-4/h7-14,19-21,28,30H,5-6H2,1-4H3,(H,34,35)/t14-,19-,20+,21-,27-/m1/s1 InChI=1/C27H30N2O7/c1-5-15-8-7-9-16(6-2)22(15)29-23(31)19-20(24(29)32)27(14(3)30,26(34)35)28-21(19)17-10-12-18(13-11-17)25(33)36-4/h7-14,19-21,28,30H,5-6H2,1-4H3,(H,34,35)/t14-,19-,20+,21-,27-/m1/s1/f/h28H CCc1cccc(c1N2C(=O)[C@H]3[C@H]([NH2+][C@@]([C@@H]3C2=O)([C@@H](C)O)C(=O)[O-])c4ccc(cc4)C(=O)OC)CC C01[X(C27H30N2O7)] 192 C01 600 COC(=O)c1ccc(cc1)[C@H]1[NH2+][C@@]([C@H]2[C@H]1C(=O)N(C2=O)c1c(CC)cccc1CC)([C@H](O)C)C(=O)[O-] COC(=O)[C]1[CH][CH][C]([CH][CH]1)[C@H]1[NH2][C@@]([C@H]2[C@H]1C(=O)N(C2=O)[C]1[C]([CH][CH][CH][C]1CC)CC)([C@H](O)C)[C]([O])=O CC[C]1[CH][CH][CH][C](CC)[C]1N2C(=O)[C@H]3[C@H]([NH2][C@]([C@@H](C)O)([C@@H]3C2=O)C([O])=O)[C]4[CH][CH][C]([CH][CH]4)C(=O)OC InChIKey=VWCFNAKCUKIYFT-AZENZDPGSA-N InChI=1S/C27H30N2O7/c1-5-15-8-7-9-16(6-2)22(15)29-23(31)19-20(24(29)32)27(14(3)30,26(34)35)28-21(19)17-10-12-18(13-11-17)25(33)36-4/h7-14,19-21,30H,5-6,28H2,1-4H3/t14-,19-,20+,21-,27-/m1/s1 InChI=1/C27H30N2O7/c1-5-15-8-7-9-16(6-2)22(15)29-23(31)19-20(24(29)32)27(14(3)30,26(34)35)28-21(19)17-10-12-18(13-11-17)25(33)36-4/h7-14,19-21,30H,5-6,28H2,1-4H3/t14-,19-,20+,21-,27-/m1/s1 4135.3604052008 -1672.8714644 1-A 17785.8181 131 469 600 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.61578 -20.60558 -20.57500 -20.57257 -20.55348 -20.49116 -20.48279 -15.70040 -15.63107 -11.39248 -11.39076 -11.38684 -11.34641 -11.32768 -11.32058 -11.31694 -11.28867 -11.28711 -11.28313 -11.28237 -11.27902 -11.26024 -11.25852 -11.25578 -11.25531 -11.25280 -11.25087 -11.24930 -11.23897 -11.23668 -11.23145 -11.23050 -11.22993 -11.22054 -11.21943 -11.21340 -1.48141 -1.45007 -1.43068 -1.41603 -1.38633 -1.37311 -1.34276 -1.30077 -1.27910 -1.18994 -1.17767 -1.13676 -1.10644 -1.08683 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0.20129 0.21264 0.22187 0.22244 0.23536 0.24117 0.24377 0.25103 0.25890 0.26099 0.26549 0.27295 0.27785 0.28573 0.29236 0.29909 0.30109 0.30401 0.30522 0.30629 0.30949 0.31332 0.31708 0.32035 0.32478 0.32990 0.33132 0.33728 0.34105 0.34401 0.34618 0.35379 0.35826 0.36787 0.37019 0.37484 0.38066 0.39132 0.39788 0.39930 0.41261 0.41385 0.41708 0.42465 0.43474 0.44669 0.45468 0.46172 0.46515 0.46891 0.47268 0.48033 0.48102 0.49884 0.50447 0.51477 0.52177 0.53066 0.54071 0.55059 0.55280 0.56334 0.57733 0.58155 0.59583 0.60894 0.62614 0.66151 0.66899 0.67551 0.68376 0.69169 0.70030 0.70864 0.71122 0.71499 0.71724 0.71943 0.72668 0.73431 0.73729 0.74273 0.74856 0.75774 0.76581 0.76821 0.77607 0.78620 0.78992 0.79226 0.79507 0.79900 0.80701 0.80779 0.81030 0.81487 0.81989 0.82820 0.83209 0.83411 0.83915 0.84782 0.85211 0.85313 0.85771 0.86127 0.86929 0.88194 0.88864 0.89336 0.89769 0.90921 0.91613 0.92183 0.92785 0.92946 0.93604 0.94134 0.94789 0.95678 0.96751 0.96970 0.97558 0.98127 0.98709 0.99359 0.99552 1.00402 1.01328 1.02056 1.02637 1.03131 1.03376 1.04345 1.04769 1.05699 1.06302 1.07171 1.07877 1.08077 1.08790 1.08891 1.09562 1.09795 1.10085 1.10261 1.10469 1.10824 1.11598 1.11923 1.12241 1.12463 1.12636 1.13138 1.13720 1.14077 1.14554 1.15189 1.15378 1.16868 1.17200 1.17455 1.17863 1.18501 1.18932 1.19188 1.19552 1.19934 1.20351 1.20815 1.21561 1.21944 1.22563 1.23346 1.23462 1.24161 1.24324 1.24659 1.25146 1.25675 1.27011 1.27095 1.27437 1.27837 1.28168 1.29141 1.30235 1.30870 1.31536 1.32352 1.32628 1.32964 1.34001 1.34663 1.35810 1.36326 1.37523 1.38450 1.39154 1.40516 1.40897 1.40990 1.41900 1.43147 1.44081 1.45573 1.46084 1.46554 1.47176 1.47988 1.49287 1.49664 1.50565 1.50993 1.51576 1.53334 1.54423 1.54922 1.55515 1.56160 1.58881 1.59810 1.61417 1.61582 1.62484 1.63362 1.64044 1.65089 1.65562 1.66101 1.67083 1.68143 1.69505 1.69666 1.70890 1.72122 1.73197 1.73608 1.74341 1.74870 1.76666 1.77028 1.77113 1.78206 1.78584 1.78989 1.79294 1.80950 1.82096 1.85152 1.86479 1.88631 1.89134 1.91403 1.91926 1.93314 1.94066 1.95084 1.96352 1.97797 1.98030 1.98329 1.99840 2.00131 2.01624 2.02057 2.02979 2.03440 2.04080 2.04552 2.04954 2.05806 2.06904 2.08176 2.08955 2.09272 2.10288 2.10961 2.11549 2.11883 2.12596 2.12943 2.13504 2.14146 2.14915 2.16571 2.17222 2.17616 2.18208 2.18967 2.19498 2.20147 2.21188 2.21573 2.22100 2.22438 2.23006 2.24731 2.25292 2.25911 2.27925 2.28307 2.29095 2.29635 2.29979 2.30313 2.30549 2.31320 2.31788 2.32332 2.33109 2.33544 2.34382 2.35641 2.36176 2.36635 2.37804 2.39134 2.39613 2.40357 2.40793 2.41777 2.42631 2.42961 2.43538 2.44606 2.44854 2.45951 2.46958 2.47570 2.47854 2.48541 2.49434 2.51283 2.51887 2.52224 2.52661 2.53577 2.54891 2.55466 2.57058 2.57238 2.58147 2.58694 2.59614 2.60301 2.60711 2.61694 2.62400 2.62981 2.63391 2.64124 2.65775 2.66463 2.68183 2.68583 2.69692 2.70780 2.71295 2.71638 2.73297 2.75479 2.76732 2.77555 2.78110 2.79437 2.81492 2.82501 2.83395 2.83656 2.84564 2.85000 2.85630 2.86237 2.88504 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0.2810 0.7440 0.7439 0.6798 0.1364 0.0854 0.5379 0.6334 0.7152 0.7416 0.5865 0.5988 0.4286 0.5617 0.6871 0.1846 0.1092 0.2455 0.1233 0.2635 0.2563 0.5465 0.1066 0.6660 0.4490 0.0855 0.1775 0.4239 0.7080 0.7458 0.6279 0.2810 0.3687 0.0337 0.4539 0.7382 0.3668 0.5875 0.4591 0.7287 0.1052 0.3081 0.6120 0.7334 0.6914 0.6952 0.6105 0.7227 0.3183 0.5755 0.6540 0.6526 0.7500 0.6741 0.1380 0.6084 0.7493 0.7151 0.4383 0.5659 0.1795 0.1743 0.4427 0.1151 0.4204 0.3811 0.6047 0.1165 0.6360 0.2878 0.1898 0.7496 0.7454 0.7082 0.0524 0.7476 0.3423 0.7402 0.6502 0.6836 0.1853 0.6877 0.1267 0.1853 0.7483 0.7387 0.6711 0.5405 0.7399 0.5802 0.3201 0.6539 0.3243 0.6181 0.7481 0.4347 0.2298 0.1483 0.7369 0.2137 0.7259 0.6213 0.5820 0.7281 0.5653 0.7364 0.6437 0.7436 0.7469 0.7448 0.7166 0.7442 0.7110 0.7453 0.7234 0.5976 0.7500 0.6879 0.2237 0.5569 0.3919 0.5955 0.7198 0.7499 0.4350 0.4691 0.7476 0.2385 0.4633 0.4347 0.5561 0.2043 0.1268 0.0644 0.1644 0.1518 0.1544 0.3422 0.0056 0.7407 0.7491 0.6053 0.5087 0.1944 0.7121 0.7224 0.4777 0.7461 0.7164 0.5938 0.7231 0.7444 0.1575 0.3803 0.5759 0.1902 0.2047 0.0408 0.2844 0.3083 0.8332 0.8570 0.8468 0.8351 0.8571 0.8566 0.8533 0.8571 0.8551 0.8564 0.8562 0.8504 0.7995 0.7380 0.8393 0.7789 0.7064 0.8567 0.7867 0.5176 0.7302 0.7985 0.7283 0.5351 0.8090 0.8312 0.8548 0.7229 0.3912 0.6734 0.8387 0.2351 0.4387 0.8532 0.8532 0.8094 0.2400 0.1573 0.6995 0.7756 0.8340 0.8516 0.7394 0.7490 0.6000 0.7193 0.8145 0.3117 0.1968 0.3942 0.2195 0.4171 0.4081 0.7067 0.1927 0.7995 0.6198 0.1575 0.3016 0.5954 0.8290 0.8544 0.7714 0.4387 0.5388 0.0652 0.6244 0.8494 0.5367 0.7402 0.6293 0.8431 0.1903 0.4710 0.7593 0.8462 0.8176 0.8202 0.7582 0.8390 0.4829 0.7305 0.7908 0.7898 0.8571 0.8053 0.2425 0.7565 0.8567 0.8339 0.6095 0.7227 0.3044 0.2969 0.6137 0.2065 0.5920 0.5519 0.7536 0.2087 0.7775 0.4470 0.3190 0.8569 0.8542 0.8292 0.0996 0.8556 0.5101 0.8507 0.7880 0.8121 0.3127 0.8149 0.2249 0.3126 0.8560 0.8497 0.8032 0.7017 0.8505 0.7344 0.4849 0.7907 0.4898 0.7640 0.8559 0.6060 0.3738 0.2583 0.8485 0.3521 0.8412 0.7664 0.7358 0.8427 0.7223 0.8482 0.7832 0.8529 0.8551 0.8537 0.8349 0.8533 0.8311 0.8541 0.8395 0.7481 0.8571 0.8151 0.3656 0.7154 0.5631 0.7464 0.8371 0.8571 0.6063 0.6386 0.8555 0.3851 0.6332 0.6059 0.7147 0.3393 0.2250 0.1210 0.2824 0.2636 0.2674 0.5099 0.0111 0.8511 0.8566 0.7541 0.6743 0.3256 0.8318 0.8388 0.6465 0.8546 0.8348 0.7451 0.8393 0.8535 0.2722 0.5511 0.7309 0.3196 0.3398 0.0784 0.4428 0.4713 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 6 6 6 6 6 6 6 6 7 6 8 6 1 6 1 7 1 1 6 6 1 6 8 6 1 6 8 6 8 8 6 6 6 6 6 6 6 8 8 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 1.00783 14.00307 1.00783 1.00783 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 1.00783 12.00000 15.99491 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 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 12758.4150 21716.5451 29246.0378 0.99985 -0.01679 0.00403 0.01685 0.99977 -0.01312 -0.00381 0.01319 0.99991 1 0.00679 0.00399 0.00296 0.14145 0.08310 0.06171 24.90 27.79 35.55 59.51 59.94 78.14 84.01 101.57 105.19 114.21 130.21 140.64 146.32 165.22 182.97 201.86 211.92 224.22 233.00 238.70 245.45 264.34 300.90 312.61 332.84 340.33 356.83 373.39 383.91 412.50 451.60 463.31 471.09 482.20 497.27 518.47 538.06 554.30 562.40 609.12 637.00 644.27 654.66 664.84 732.59 746.39 759.15 780.16 801.39 826.95 844.06 856.75 872.46 888.04 956.95 998.77 1002.23 1019.79 1074.68 1089.25 1115.48 1149.22 1177.63 1199.43 1203.03 1207.95 1217.37 1224.65 1252.45 1261.01 1282.25 1303.68 1325.18 1344.52 1359.78 1374.58 1399.60 1422.85 1454.19 1464.29 1472.20 1493.54 1497.42 1534.50 1552.19 1570.49 1581.04 1601.51 1603.88 1613.39 1622.93 1643.28 1649.63 1663.05 1677.77 1708.25 1711.98 1722.87 1730.52 1756.52 1772.57 1792.53 1808.06 1809.83 1814.38 1821.18 1849.30 1867.51 1875.18 1890.40 1898.82 1906.11 1916.87 1938.51 1960.80 1963.72 1989.02 1991.01 2012.03 2034.20 2055.76 2086.73 2100.77 2129.00 2131.58 2144.67 2146.11 2155.86 2160.98 2185.39 2213.92 2215.37 2233.97 2251.53 2252.59 2267.01 2277.22 2287.84 2306.99 2348.43 2351.36 2355.22 2357.96 2360.45 2360.91 2362.14 2363.58 2365.13 2371.81 2372.87 2388.68 2389.20 2442.99 2548.67 2577.83 2584.52 2623.77 2631.84 2831.09 2875.19 2885.08 2973.70 4585.06 4612.73 4614.11 4617.24 4623.49 4646.86 4653.48 4665.11 4682.69 4692.01 4695.81 4713.95 4718.77 4731.95 4739.66 4744.58 4769.88 4803.07 4824.34 4826.01 4839.77 4841.09 4867.64 4873.08 4888.16 4916.84 4923.41 4953.20 5383.88 5902.89 0.582094 0.614291 0.615235 0.516103 -1672.289370 -1672.257173 -1672.256229 -1672.355361 3.324904D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE CCc1cccc(c1N2C(=O)[C@H]3[C@H]([NH2+][C@@]([C@@H]3C2=O)([C@@H](C)O)C(=O)[O-])c4ccc(cc4)C(=O)OC)CC C43221843 RHF 6-31G(d) (6D,10F) C1 494.205302 |X|Y|Z| 75.379736 102.392346 40.242782 67.723080 20 6 7 18 2 |36.858105| |12.415229|36.858105| |7.491593|12.563930|36.858105| |5.706446|7.612615|13.718038|36.858105| |4.181100|5.032111|7.901570|13.789102|36.858105| |3.749027|4.427814|6.835434|7.962301|13.792008|36.858105| |4.111617|4.954372|7.809587|6.837532|7.903380|13.716282|36.858105| |5.582401|7.441313|13.654986|7.982375|6.912375|7.981691|13.661609|36.858105| |5.309444|6.533670|7.810606|5.148274|4.542021|5.143448|7.795584|13.245221|53.358707| |5.009256|5.179973|5.597297|4.114870|3.744500|4.210140|5.841692|7.657655|18.655258|36.858105| |5.043261|4.736940|5.197716|4.049648|3.754945|4.191957|5.502226|6.591823|11.276865|16.054877|73.516695| |3.920960|4.089919|4.133686|3.221191|2.977011|3.307312|4.322972|5.183108|11.351678|12.636631|13.871095|36.858105| |3.326493|3.536117|3.749336|3.025777|2.899002|3.324203|4.382992|4.844091|9.769658|9.231913|11.683235|17.549932|0.500000| |3.401205|3.349379|3.232625|2.637054|2.443189|2.642065|3.240547|3.734605|6.957727|6.939501|10.240371|12.484429|0.250627|36.858105| |2.992968|2.917474|2.892426|2.424320|2.295215|2.508364|3.039572|3.354875|5.927188|5.881543|9.538401|8.788051|0.226262|17.631125|0.500000| |2.925982|3.004955|2.884869|2.391525|2.226967|2.398538|2.897563|3.285294|5.946212|5.055647|7.377544|8.310570|0.207575|12.543445|0.252225|53.358707| |2.599253|2.680088|2.641792|2.231638|2.117848|2.308989|2.775821|3.041254|5.345331|4.497304|6.756489|6.953815|0.204022|9.226731|0.243955|25.768951|0.500000| |2.753347|2.790354|2.618793|2.200586|2.038426|2.160024|2.550047|2.887506|5.019190|4.149908|6.307350|5.979779|0.148522|8.740988|0.193758|25.310949|0.321901|0.500000| |3.107517|3.386654|3.233986|2.633477|2.424590|2.604006|3.180589|3.695002|6.861614|5.134120|7.077594|7.877827|0.198504|7.456244|0.157274|16.704962|0.251588|0.259830|36.858105| |4.031145|4.534913|4.333427|3.311178|2.972533|3.207269|4.106012|5.164874|11.257487|8.045925|9.663813|12.562314|0.250028|7.944187|0.159096|10.991590|0.175060|0.174167|12.427988|36.858105| |4.688502|5.155000|4.478441|3.379493|2.933036|3.051299|3.778127|4.917217|9.908297|7.188353|9.297853|8.959122|0.175791|7.179640|0.142777|9.334702|0.144994|0.166692|9.032405|17.520083|0.500000| |4.378344|5.546741|5.813251|4.195724|3.734559|4.106504|5.587130|7.618154|18.421751|8.127438|9.733873|8.140228|0.200933|5.179767|0.118269|6.825871|0.123040|0.116677|6.820862|12.563926|0.258676|36.858105| |3.859083|5.110983|5.468934|4.179858|3.766763|4.090343|5.282829|6.636321|11.317095|5.511713|7.459770|5.491052|0.147275|3.996725|0.095197|5.572166|0.104016|0.099332|5.620099|7.727183|0.181286|16.126322|73.516695| |2.586573|2.856355|2.847349|2.398705|2.275331|2.485252|3.001061|3.293290|5.739703|4.132237|5.939265|5.701590|0.172371|5.244040|0.127683|10.502609|0.223475|0.177565|12.428804|7.148710|0.151577|5.577503|9.230777|36.858105| |2.321632|2.509165|2.470818|2.120031|2.016338|2.178946|2.569155|2.788002|4.692023|3.471321|5.187110|4.642547|0.137075|4.731291|0.119336|9.905784|0.225413|0.187589|9.063605|5.418143|0.125970|4.284321|7.192585|17.501075|0.500000| |2.484474|2.841395|2.856664|2.441608|2.323193|2.520712|2.992271|3.249821|5.373319|3.579746|5.223960|4.394984|0.129976|3.859307|0.095498|6.677844|0.136172|0.122536|7.376122|5.716929|0.129773|5.410019|10.390598|12.525457|0.248341|36.858105| |2.518207|2.749321|2.851267|2.420991|2.352221|2.644837|3.249990|3.426626|5.967676|4.463362|6.466493|6.212505|0.223757|5.436755|0.142913|9.538410|0.234906|0.150369|8.047835|6.333746|0.131353|5.346588|8.556427|13.430610|0.258897|7.809598|73.516695| |2.952433|3.185835|2.897275|2.405984|2.182954|2.273117|2.671011|3.111552|5.367201|3.914161|5.735075|5.116743|0.126472|5.346045|0.118594|10.432265|0.166801|0.234293|12.094270|7.340554|0.208776|5.075178|8.187198|7.499140|0.200504|6.077453|9.022986|36.858105| |2.642588|2.746968|2.506441|2.124410|1.944928|2.020172|2.337799|2.668309|4.477568|3.408393|5.197370|4.402382|0.110505|5.127144|0.118264|10.243635|0.168497|0.289981|8.104350|5.419687|0.156057|3.932617|6.349691|5.965444|0.182724|4.724238|7.865876|15.378986|73.516695| |3.065901|3.430657|3.054814|2.536807|2.271327|2.329545|2.707724|3.193156|5.349241|3.671536|5.400478|4.426391|0.110146|4.275021|0.097419|7.271842|0.124183|0.153722|8.111462|6.553340|0.197229|5.215143|9.030353|6.085829|0.155367|6.025749|7.683755|15.750685|15.091582|73.516695| |3.734188|3.442174|3.147882|2.584199|2.342530|2.452822|2.912850|3.422644|6.007653|5.778275|9.450994|7.333392|0.152562|12.537093|0.249205|10.105659|0.159472|0.196462|5.468745|6.008621|0.184851|4.308840|6.127870|3.946831|0.102967|3.156461|6.851745|4.810374|8.625686|7.128236|36.858105| |3.565209|3.299347|2.895933|2.406856|2.156241|2.210632|2.565067|3.022761|5.114768|4.418320|7.171800|5.326272|0.117689|7.397609|0.160156|8.709536|0.136852|0.199670|5.204233|5.286721|0.176721|3.869016|5.744935|3.730277|0.100354|3.070336|6.077522|5.371356|10.253592|7.948725|13.727367|36.858105| |3.510870|3.102419|2.674822|2.273870|2.027364|2.040362|2.308399|2.696771|4.331651|3.646375|6.240722|3.997854|0.092189|4.972274|0.119097|5.946860|0.101265|0.133477|3.814653|3.963194|0.131160|3.181693|4.880601|2.946798|0.080005|2.541722|4.870528|4.057985|7.733071|6.458899|7.931048|13.724452|36.858105| |3.608530|3.033870|2.651080|2.284187|2.044930|2.050160|2.295861|2.654959|4.151115|3.574027|6.482554|3.687273|0.086256|4.428867|0.112100|4.994165|0.088416|0.106496|3.207353|3.456685|0.110654|2.910002|4.468829|2.573303|0.069264|2.247353|4.403272|3.237950|5.991178|5.273212|6.840514|7.908692|13.767232|36.858105| |3.786398|3.145055|2.841500|2.434987|2.202532|2.239744|2.536317|2.915164|4.590188|4.191994|8.029495|4.195472|0.097567|5.063734|0.132942|5.221585|0.093751|0.106022|3.267108|3.638127|0.112613|3.084971|4.643164|2.641617|0.070111|2.280662|4.673624|3.101906|5.608555|5.011502|7.904999|6.858064|7.945876|13.690696|36.858105| |3.854698|3.348896|3.108885|2.599072|2.369453|2.469491|2.887123|3.337549|5.549857|5.505462|10.379874|5.814260|0.129373|7.703649|0.199716|6.799462|0.119702|0.131308|4.014541|4.573683|0.137522|3.693887|5.361721|3.158343|0.082534|2.636467|5.700452|3.580126|6.373802|5.613519|13.656854|7.931792|6.897641|7.941980|13.817212|36.858105| |3.203889|2.678920|2.341090|2.074579|1.862948|1.841386|2.013748|2.292749|3.451832|2.860444|5.244709|2.878020|0.069589|3.287800|0.085532|3.903556|0.071104|0.083461|2.595895|2.762638|0.087008|2.425521|3.831724|2.159299|0.058592|1.935130|3.694114|2.673285|4.950612|4.476996|4.453973|5.068054|7.712569|12.760644|7.542616|5.035953|36.858105| |2.915356|2.497872|2.167865|1.936883|1.738246|1.708436|1.854926|2.105450|3.148228|2.539781|4.565388|2.584615|0.063151|2.919773|0.075560|3.615027|0.066062|0.078569|2.451781|2.558315|0.080705|2.258833|3.626700|2.057346|0.056316|1.865513|3.470448|2.603101|4.870611|4.412926|3.798025|4.528956|6.757815|8.037319|5.267841|3.996319|16.013118|73.516695| |3.072115|2.531908|2.258919|2.034737|1.843920|1.819591|1.968424|2.209490|3.257766|2.711652|5.130621|2.652518|0.065135|2.961498|0.079132|3.469492|0.064427|0.072606|2.312941|2.488844|0.076668|2.240459|3.553612|1.964144|0.053077|1.771700|3.422760|2.323367|4.247421|3.914245|3.833721|4.004935|5.277624|8.113312|6.929928|4.615505|14.404125|15.307617|73.516695| |2.663411|2.230983|2.002598|1.841127|1.678442|1.643188|1.749602|1.939422|2.804114|2.276669|4.281598|2.221188|0.055522|2.429492|0.065350|2.932037|0.055153|0.061495|1.989816|2.118326|0.064610|1.943701|3.138277|1.723516|0.046811|1.577843|2.998984|2.018932|3.690781|3.446206|2.992880|3.149537|3.967638|5.195895|4.573195|3.435977|8.156693|12.869934|23.883025|36.858105| |3.264016|3.720366|4.953351|4.429230|5.035316|7.620155|12.565852|7.438985|8.857747|5.562819|9.220004|4.489413|0.138605|3.355575|0.090266|4.128269|0.083368|0.072867|3.268444|4.042609|0.098227|5.182599|8.627625|3.228067|0.076393|3.166179|6.609730|2.652848|4.166329|4.662085|2.875586|2.489180|2.205672|2.183038|2.430912|2.825187|1.903708|3.116008|3.308157|1.652962|36.858105| |2.789469|3.254659|4.103098|3.757645|4.207567|5.761424|7.498815|5.548329|7.103568|4.337808|6.878140|3.936906|0.124598|3.033501|0.081257|3.965675|0.081418|0.070487|3.257487|3.820791|0.091297|4.941327|9.123128|3.423815|0.080425|3.548777|7.033870|2.657765|4.139076|4.728716|2.575340|2.290913|2.022854|1.964757|2.136155|2.457277|1.727043|2.866956|2.973106|1.499369|12.415974|36.858105| |17.555511|8.775400|6.790165|6.038333|4.420499|3.792269|3.929331|4.979465|6.018786|4.216626|7.918787|3.327082|0.081037|2.930342|0.073681|3.457726|0.063886|0.066647|2.662163|3.333937|0.103446|3.649585|5.894418|2.281867|0.057405|2.209075|4.002234|2.529668|4.086555|4.652022|3.180543|3.024806|3.033893|3.198388|3.386210|3.373910|2.944939|4.778367|5.184874|2.588647|3.097647|2.632520|0.500000| |17.548696|8.794351|5.478171|4.462729|3.430731|3.111201|3.379409|4.378499|5.997286|4.264062|7.490387|3.600462|0.084595|3.276750|0.079615|3.910885|0.070295|0.076888|3.039708|3.804879|0.127249|3.923980|6.245880|2.504962|0.063329|2.403993|4.249877|3.007977|4.842153|5.598521|3.740339|3.765107|3.859762|3.930683|3.904512|3.807221|3.562875|5.855047|5.930215|2.898242|2.801734|2.467939|0.301242|0.500000| |17.578783|8.733159|6.768269|5.045032|3.967496|3.763261|4.306775|5.851334|8.165337|6.296011|11.935394|4.627962|0.105917|3.990183|0.097129|4.437682|0.079943|0.084026|3.355489|4.456977|0.143265|4.648242|6.908874|2.746956|0.068283|2.564415|4.834145|3.090957|4.954971|5.527128|4.461342|4.042543|3.913095|4.127478|4.580862|4.793595|3.507882|5.489280|6.014820|2.839979|3.506816|2.912313|0.302461|0.300976|0.500000| |8.831824|17.597771|8.844300|5.692340|4.211745|3.952453|4.635609|6.952539|9.971109|5.597933|8.416131|4.683899|0.109466|3.776598|0.088565|4.709354|0.083930|0.089064|4.070150|5.693499|0.190710|7.014037|11.212467|3.311866|0.079724|3.296745|5.501130|3.861051|5.722527|7.573972|3.843044|3.749119|3.413426|3.207296|3.266620|3.554436|2.768462|4.620266|4.537109|2.228607|3.678369|3.318688|0.173025|0.214160|0.208005|0.500000| |8.866644|17.563978|8.977566|7.304775|4.799196|4.015898|4.208045|5.657614|6.686617|4.015758|6.644875|3.362924|0.082969|2.852707|0.070007|3.588368|0.066010|0.069149|2.980755|3.772867|0.117676|4.519821|7.949066|2.577294|0.063733|2.625139|4.365676|2.897450|4.480697|5.664849|2.941364|2.899156|2.784464|2.714441|2.749739|2.858604|2.468710|4.172370|4.156578|2.104178|3.235313|2.934009|0.212365|0.213163|0.172889|0.306292|0.500000| |5.651066|7.123766|8.939121|17.711572|8.936577|5.659317|4.933144|5.664817|5.678482|3.489606|6.156995|2.834015|0.073493|2.395944|0.061244|2.984590|0.056723|0.056880|2.402525|2.947996|0.085366|3.583925|6.409452|2.184615|0.054329|2.231500|3.866249|2.253667|3.569224|4.258859|2.399037|2.280393|2.195917|2.212912|2.321571|2.421057|2.046820|3.426910|3.576893|1.842063|3.543346|3.120763|0.177118|0.127586|0.130574|0.145742|0.221945|0.500000| |3.572546|4.109758|5.631963|8.929848|17.714155|8.930823|5.632563|4.972153|4.920540|3.103154|5.594832|2.550801|0.069413|2.150305|0.056633|2.692657|0.052578|0.050789|2.135592|2.547712|0.070146|3.096229|5.608358|2.024808|0.050455|2.076157|3.711869|1.950718|3.122925|3.609627|2.078908|1.932921|1.838270|1.861993|1.992053|2.113198|1.720869|2.871042|3.047581|1.579028|4.112226|3.598833|0.107513|0.084094|0.093497|0.097211|0.113857|0.215597|0.500000| |3.113674|3.542256|4.931786|5.658860|8.936753|17.708332|8.936319|5.664208|5.672225|3.594785|6.446024|2.940149|0.083925|2.402941|0.064457|2.997720|0.059726|0.055290|2.362798|2.819846|0.073929|3.485171|6.226855|2.303491|0.056654|2.340706|4.412523|2.067720|3.302246|3.742333|2.219727|2.003474|1.855398|1.868919|2.041484|2.242639|1.690870|2.796396|2.986439|1.527783|7.132348|5.736076|0.088115|0.073783|0.087464|0.089995|0.091290|0.124431|0.215603|0.500000| |2.192130|2.475666|2.524249|2.210941|2.141965|2.335324|2.721895|2.859612|4.558272|3.090833|4.643828|3.695105|0.112184|3.333718|0.085587|5.636629|0.120454|0.105268|5.452877|4.409211|0.103180|4.281424|8.227086|8.931675|0.218566|17.517141|12.530716|4.701607|7.066502|8.185983|2.755558|2.671442|2.254576|2.019667|2.055426|2.353997|1.760575|3.024891|2.889322|1.458984|2.942577|3.380927|0.054993|0.058892|0.062762|0.077789|0.064243|0.056368|0.053792|0.061309|0.500000| |2.460519|2.815018|2.745447|2.356931|2.210290|2.344657|2.729048|3.014334|4.891803|3.256765|4.817853|3.907838|0.109893|3.558757|0.087083|6.150828|0.120670|0.119389|6.761114|5.221588|0.127673|4.864434|9.490560|8.846061|0.213611|17.639543|10.058559|6.843043|9.176408|13.363628|3.048534|3.082679|2.578982|2.247632|2.234349|2.535804|1.950665|3.382711|3.146987|1.583615|2.794702|3.066703|0.060585|0.067274|0.069573|0.091695|0.073399|0.060745|0.055227|0.060244|0.300766|0.500000| |2.691785|3.177571|3.274951|2.771170|2.640777|2.894989|3.495515|3.803742|6.271061|3.927316|5.634467|4.607255|0.136814|3.776978|0.093073|6.071729|0.121307|0.109084|6.581361|6.109390|0.135875|6.696864|14.350167|8.800987|0.173939|17.657282|12.500801|5.260167|7.230185|9.798300|3.106560|2.971679|2.485667|2.230021|2.285631|2.643141|1.923659|3.279487|3.153660|1.579907|3.680719|4.260420|0.066378|0.071187|0.076684|0.102807|0.081171|0.069378|0.064802|0.073963|0.299937|0.302235|0.500000| |2.279274|2.496677|2.618786|2.271787|2.240187|2.528535|3.049196|3.119017|5.173553|3.777497|5.656066|4.826690|0.168354|4.305159|0.116774|7.177772|0.174203|0.121753|5.935875|4.930148|0.108027|4.524576|7.679493|9.745607|0.222158|7.532066|35.713849|4.260247|6.756384|6.718028|3.239742|2.928304|2.414662|2.206195|2.331020|2.779616|1.883831|3.165529|3.126150|1.557146|3.549050|3.951589|0.057343|0.060126|0.067586|0.076951|0.062851|0.056878|0.055749|0.066941|0.220613|0.149412|0.187521|0.500000| |3.264303|3.158827|2.776505|2.315328|2.079592|2.134205|2.473792|2.902302|4.920067|4.039753|6.345349|5.056907|0.115018|6.706394|0.144586|9.729520|0.147796|0.252816|6.083225|5.547695|0.184776|3.943659|5.976164|4.204884|0.115559|3.426315|6.480415|7.137389|14.800989|9.871070|8.827866|17.748418|8.995661|5.660169|4.947395|5.619934|4.152488|7.013978|5.951756|2.754036|2.415807|2.278449|0.077166|0.095877|0.099329|0.101905|0.078349|0.061031|0.051898|0.053879|0.081778|0.097779|0.089874|0.086434|0.500000| |3.196266|2.874105|2.459368|2.120035|1.889504|1.885419|2.106090|2.443268|3.846775|3.115243|5.296203|3.393632|0.080315|4.047749|0.098565|5.195600|0.090109|0.119314|3.474914|3.506940|0.115453|2.884438|4.544106|2.747212|0.075622|2.420885|4.461993|3.906938|7.605040|6.375626|5.646171|8.917789|17.756493|8.957842|5.656691|4.967863|7.202513|13.504179|8.590300|3.878743|2.007098|1.868124|0.077615|0.099605|0.095196|0.087896|0.073458|0.057532|0.047966|0.047808|0.059953|0.069457|0.065344|0.062202|0.217791|0.500000| |3.589484|2.936803|2.702931|2.367896|2.162331|2.190126|2.439876|2.751604|4.184913|3.769836|7.546881|3.617558|0.086935|4.141236|0.113211|4.391559|0.081184|0.088281|2.807253|3.128220|0.094666|2.761812|4.220129|2.343075|0.062227|2.055118|4.204759|2.653755|4.768279|4.357742|5.636596|4.948263|5.651909|8.899484|17.769010|8.955311|6.938829|8.614650|13.955273|5.075343|2.334925|2.035540|0.092599|0.101418|0.119830|0.082374|0.072043|0.063040|0.054780|0.055831|0.052013|0.055748|0.057567|0.059050|0.107498|0.124369|0.500000| |3.705795|3.255818|3.158455|2.661598|2.472863|2.624198|3.091197|3.487372|5.737093|5.998238|12.457015|5.964383|0.138659|7.229039|0.211553|6.289782|0.116191|0.116452|3.755179|4.345377|0.123618|3.661674|5.305831|3.071575|0.079500|2.572616|5.772894|3.224031|5.648666|5.106349|8.883740|5.641675|4.966212|5.655152|8.974383|17.733753|4.100526|5.935996|7.114933|3.099644|3.083027|2.615716|0.092304|0.097836|0.129479|0.093882|0.076859|0.067977|0.061113|0.066581|0.064463|0.067573|0.072390|0.078672|0.123467|0.107801|0.216881|0.500000| |2.553952|2.138044|1.949766|1.811114|1.664853|1.630912|1.724906|1.892275|2.706208|2.201563|4.202328|2.121434|0.053506|2.294816|0.062503|2.752827|0.052266|0.057114|1.868864|1.999437|0.060262|1.856103|3.002005|1.635350|0.044301|1.500768|2.875533|1.869984|3.396243|3.194713|2.766747|2.820131|3.401523|4.382798|4.192894|3.231621|5.950894|9.212168|16.923720|17.663142|1.632508|1.473336|0.070196|0.075713|0.075904|0.058644|0.056011|0.050318|0.043707|0.042318|0.038720|0.041601|0.041903|0.041638|0.068811|0.090624|0.135930|0.083567|0.500000| |2.766118|2.302586|2.037479|1.881376|1.700477|1.646986|1.742966|1.942987|2.784804|2.223494|4.147056|2.153255|0.053716|2.315401|0.061498|2.824643|0.052926|0.059236|1.952997|2.090068|0.064284|1.937117|3.149468|1.690829|0.045787|1.563914|2.920343|2.002196|3.631129|3.463648|2.826752|3.020872|3.798023|4.737948|4.080160|3.163208|7.220429|12.836384|16.435811|17.638746|1.629752|1.483147|0.075067|0.085361|0.080165|0.063614|0.061031|0.052834|0.044552|0.042394|0.040090|0.043848|0.043646|0.042185|0.074460|0.106049|0.121319|0.079234|0.298522|0.500000| |2.366951|2.031060|1.834423|1.688879|1.549563|1.524813|1.624905|1.790182|2.601350|2.104281|3.912451|2.090988|0.052663|2.314649|0.062640|2.841197|0.053735|0.060240|1.917347|2.004167|0.060749|1.826726|2.964302|1.671811|0.045823|1.528424|2.900137|1.962611|3.635963|3.334641|2.825352|3.018648|3.794501|4.734255|4.078928|3.162852|7.215606|12.834178|16.434681|17.637904|1.549466|1.418411|0.063541|0.071220|0.069742|0.056896|0.053444|0.046840|0.040581|0.039570|0.039421|0.042728|0.042216|0.041950|0.074421|0.105932|0.121313|0.079188|0.298493|0.300244|0.500000| |2.946515|3.239190|4.210999|4.013532|4.787951|7.270115|8.971762|5.670625|6.700979|4.566563|8.152315|3.760644|0.115117|2.969782|0.081846|3.639561|0.074230|0.065161|2.799866|3.341207|0.083211|4.024207|6.765969|2.780535|0.067459|2.714826|5.686343|2.324446|3.721958|4.068492|2.596978|2.255040|2.029992|2.037041|2.279558|2.611465|1.797641|2.939545|3.161892|1.591104|17.557277|8.860042|0.079741|0.070744|0.087820|0.087190|0.079802|0.091240|0.113533|0.219890|0.071428|0.067373|0.085382|0.086144|0.060412|0.051452|0.061808|0.080055|0.044002|0.043465|0.041441|0.500000| |3.333851|3.685142|4.641074|3.951266|4.205132|5.677564|8.846995|6.980324|10.034622|7.061324|11.426218|5.650200|0.184373|4.030881|0.109647|4.806409|0.097621|0.082777|3.708458|4.661101|0.109777|5.680238|8.725655|3.613015|0.084702|3.378183|7.692373|2.900068|4.566270|4.971755|3.319213|2.784044|2.421190|2.394074|2.710851|3.249762|2.050958|3.328073|3.552149|1.753873|17.596137|8.839295|0.086191|0.079995|0.102903|0.103693|0.087241|0.089967|0.097026|0.145180|0.086335|0.081732|0.107183|0.111586|0.074466|0.060393|0.071722|0.100503|0.048017|0.047679|0.045694|0.305907|0.500000| |2.469263|2.795642|3.374057|3.115561|3.444494|4.487310|5.478719|4.361165|5.922870|3.892877|6.277577|3.713266|0.121756|2.952765|0.080991|3.908657|0.082311|0.069411|3.135486|3.514842|0.083484|4.228788|7.634010|3.410418|0.081221|3.478288|7.307415|2.545691|4.025059|4.453480|2.473817|2.193657|1.933367|1.878143|2.045753|2.359999|1.652694|2.745109|2.850030|1.439891|8.787345|17.537247|0.064922|0.061600|0.072201|0.079692|0.070497|0.073894|0.084518|0.128793|0.095014|0.082352|0.112350|0.118107|0.060750|0.049629|0.054257|0.070195|0.039369|0.039364|0.038034|0.212851|0.214103|0.500000| 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