Version2.2 2021-02-06T22:32:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@]1(c2cccc(c2C(=O)[C@@H]3[C@@H]1C[C@@H]4[C@H](C(=O)C(=C([C@@]4(C3=O)O)[O-])C(=O)N)[NH+](C)C)O)O C44699813 RHF 6-31G(d) (6D,7F) C[C@@]1(c2cccc(c2C(=O)[C@@H]3[C@@H]1C[C@@H]4[C@H](C(=O)C(=C([C@@]4(C3=O)O)[O-])C(=O)N)[NH+](C)C)O)O C01[X(C22H24N2O8)] 162 C1 528 NC(=O)C1=C([O-])[C@]2([C@@H]([C@H](C1=O)[NH+](C)C)C[C@H]1[C@H](C2=O)C(=O)c2c([C@]1(C)O)cccc2O)O NC(=O)C1=C([O-])[C@]2([C@@H]([C@H](C1=O)[NH+](C)C)C[C@H]1[C@H](C2=O)C(=O)c2c([C@]1(C)O)cccc2O)O C[NH+](C)[C@@H]1[C@H]2C[C@H]3[C@@H](C(=O)c4c(O)cccc4[C@]3(C)O)C(=O)[C@@]2(O)C(=C(C(N)=O)C1=O)[O-] InChIKey=FRIDWDPNPZWDGV-JYLGYZJDSA-N InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13,15,25,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10+,13-,15+,21-,22+/m0/s1 InChI=1/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13,15,25,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10+,13-,15+,21-,22+/m0/s1/f/h29h,24H,23H2 C[C@@]1(c2cccc(c2C(=O)[C@@H]3[C@@H]1C[C@@H]4[C@H](C(=O)C(=C([C@@]4(C3=O)O)[O-])C(=O)N)[NH+](C)C)O)O C01[X(C22H24N2O8)] 162 C01 528 NC(=O)C1=C([O-])[C@]2([C@@H]([C@H](C1=O)[NH+](C)C)C[C@H]1[C@H](C2=O)C(=O)c2c([C@]1(C)O)cccc2O)O C[NH]([C@H]1[C]([O])[C]([C](=O)[C@]2([C@@H]1C[C@H]1[C@H](C2=O)C(=O)[C]2[C]([CH][CH][CH][C]2O)[C@]1(C)O)O)C(=O)N)C C[NH](C)[C@H]1[C]([O])[C](C(N)=O)C(=O)[C@@]2(O)[C@@H]1C[C@H]3[C@@H](C(=O)[C]4[C](O)[CH][CH][CH][C]4[C@]3(C)O)C2=O InChIKey=SIPZVOQJMJUUCU-JYLGYZJDSA-N InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13,15,24-25,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10+,13-,15+,21-,22+/m0/s1 InChI=1/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13,15,24-25,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10+,13-,15+,21-,22+/m0/s1/f/h23H2 3550.6044830693 -1554.8398284 1-A 13304.4372 117 411 528 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.60556 -20.59449 -20.57784 -20.57309 -20.57056 -20.51955 -20.51443 -20.46578 -15.74357 -15.51808 -11.35766 -11.34849 -11.33664 -11.33309 -11.32844 -11.32690 -11.32610 -11.32327 -11.30947 -11.30811 -11.30005 -11.28277 -11.27987 -11.27950 -11.26819 -11.26804 -11.26653 -11.25644 -11.25387 -11.24670 -11.24116 -11.18915 -1.43874 -1.42906 -1.41835 -1.40981 -1.40197 -1.39088 -1.35665 -1.35074 -1.33221 -1.19408 -1.17148 -1.15219 -1.12947 -1.07232 -1.05701 -1.05197 -1.03416 -1.02353 -1.01837 -0.99730 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1593.1134 1610.9886 1621.4029 1639.3176 1639.8529 1642.0617 1649.8209 1650.9220 1652.5247 1670.7490 1676.9941 1739.0229 1772.3271 1806.6346 1808.3961 1891.4676 1943.3516 1972.7467 2036.6714 3183.9388 3216.4547 3233.3259 3249.1845 3260.3819 3268.7501 3271.1562 3278.7343 3291.8736 3295.3430 3308.3648 3342.3839 3355.9798 3369.3707 3399.3065 3406.0833 3419.0491 3427.9622 3724.3272 3812.7633 3917.1780 3918.1096 3938.2347 4113.5923 5.5748 5.8311 5.9579 6.9446 5.4140 5.1697 6.4324 5.2575 3.9889 5.1475 4.9174 5.5597 5.8950 2.7801 3.3096 2.9997 1.0980 3.2290 5.1400 2.2037 2.8621 3.0918 3.6725 2.0605 3.0389 3.1004 1.9963 3.7587 4.7268 4.7265 6.9102 4.2687 6.2585 5.3924 5.1309 5.5099 5.1085 2.9783 4.1214 4.5221 4.5181 5.0040 3.6239 4.1233 4.9577 1.7522 2.0810 1.7078 3.7374 1.6752 2.1955 3.8249 4.0339 2.1230 2.7567 4.0189 2.0924 3.9783 4.6936 4.1991 2.4028 4.7683 4.2985 3.3637 2.6072 5.6856 4.9285 3.4463 3.5355 1.5461 3.8682 3.6719 3.6068 3.1648 2.5517 2.3821 2.6764 2.5276 1.3720 2.6953 1.2356 2.8028 2.5136 2.4529 2.3782 2.4729 2.8759 1.8632 2.2645 1.7376 2.0103 1.6611 2.1660 2.7476 1.8440 2.0288 1.7602 1.6402 1.9153 1.5273 1.8993 2.3788 2.6240 1.6908 2.9723 1.5487 1.8757 1.9091 2.3107 1.6641 1.9406 1.5167 2.0103 1.9762 1.7914 1.3091 1.2383 1.3851 1.2811 1.2465 1.3007 2.3701 1.0999 1.1676 1.1842 1.0719 1.8415 1.0706 1.0606 1.0866 5.4775 4.7315 1.2762 5.5518 10.7443 11.6619 9.9826 12.6073 1.0834 1.0402 1.0705 1.0835 1.0364 1.0836 1.0383 1.0998 1.0945 1.0852 1.1028 1.1074 1.1050 1.0895 1.0922 1.0964 1.1069 1.1051 1.0772 1.0470 1.0661 1.0647 1.1030 1.0669 0.0027 0.0035 0.0050 0.0122 0.0125 0.0157 0.0290 0.0307 0.0333 0.0540 0.0779 0.0998 0.1164 0.0653 0.0885 0.0817 0.0334 0.1158 0.1955 0.0869 0.1310 0.1467 0.1801 0.1134 0.1819 0.1971 0.1341 0.2859 0.3678 0.4059 0.6416 0.4518 0.6849 0.6047 0.6024 0.6889 0.6895 0.4166 0.6136 0.7253 0.7371 0.8335 0.6155 0.7555 0.9784 0.3688 0.4467 0.3923 0.8952 0.4124 0.5510 1.0518 1.1326 0.6391 0.8393 1.2914 0.6916 1.3392 1.7442 1.6307 0.9869 2.0168 1.8951 1.5687 1.2274 2.7920 2.5140 1.8374 1.9801 0.8922 2.3032 2.2199 2.2222 2.0460 1.7374 1.6384 1.8822 1.8637 1.0139 2.0350 0.9483 2.1931 2.0108 2.0331 2.0504 2.1719 2.5581 1.6734 2.0451 1.5943 1.8824 1.6145 2.1060 2.7519 1.9020 2.1037 1.8767 1.8457 2.1570 1.7266 2.1763 2.7489 3.1054 2.0722 3.7713 1.9724 2.3992 2.4613 2.9903 2.2066 2.6038 2.0799 2.7979 2.8217 2.5689 1.8917 1.7979 2.0235 1.9092 1.8639 1.9889 3.6711 1.7415 1.8499 1.8813 1.7191 2.9572 1.7226 1.7443 1.8004 9.7598 8.7565 2.4543 10.6973 22.6477 25.9491 22.8896 30.8117 6.4712 6.3408 6.5936 6.7398 6.4909 6.8217 6.5457 6.9660 6.9882 6.9430 7.1120 7.2889 7.3328 7.2877 7.4360 7.4945 7.6234 7.6511 8.8029 8.9679 9.6379 9.6298 10.0788 10.6372 0.5747 0.9953 3.7032 0.6215 3.3646 4.2913 0.9852 1.5529 1.0070 2.0120 0.5102 1.6844 0.4511 2.9932 0.9797 4.6756 1.3463 0.6641 2.3940 8.6424 2.0362 11.3820 4.1067 56.9062 12.0492 6.6780 60.6644 6.2081 3.5146 6.3476 12.1051 20.8186 11.5789 25.5529 12.3683 11.0395 9.7113 10.2324 5.2136 8.6989 56.1598 12.8987 4.6119 14.2362 0.5030 150.3514 5.9948 112.0693 56.5582 89.9825 76.6427 27.7235 11.9276 34.1911 41.8469 10.3173 81.9929 29.9273 28.9031 15.9054 2.0982 21.7003 24.3660 51.2688 44.3694 28.0649 7.1997 38.1634 6.4203 6.0342 26.8782 0.6401 12.7307 45.2812 3.0850 48.4928 27.9541 24.1705 1.0627 10.6662 12.5566 30.8435 23.2465 30.2909 48.4788 64.5973 53.9062 44.2750 94.0887 65.1878 11.6660 16.0723 164.3053 28.6376 16.9819 16.6011 17.6416 4.1293 11.9974 32.2393 1.8463 79.3960 44.7343 84.9018 180.8846 8.7058 19.1620 23.5228 203.5593 111.5090 80.1426 39.1383 218.5163 122.6318 103.2196 14.0916 2.0098 35.1909 24.1674 168.1994 10.4980 183.4740 11.6657 4.7099 6.0173 17.7259 1.0078 10.8155 50.9547 27.8096 877.2169 110.8174 146.7141 120.9883 46.6805 231.7768 662.5169 266.9676 27.2278 14.6772 28.4788 23.9138 18.3870 3.1772 29.8989 28.2478 12.4983 5.8336 19.8383 12.1393 10.8912 12.7712 15.5588 10.2936 2.4995 6.4629 57.0190 25.4670 345.7291 91.6222 85.3801 57.1959 2.3920 1.8129 2.2005 1.3547 1.2224 0.6038 1.3746 0.1671 1.4939 0.1202 2.1676 0.7606 1.5334 0.8802 1.4520 0.3884 0.2005 0.7379 0.4873 0.7122 1.1242 1.1607 0.5785 1.0536 1.7325 2.5696 1.1267 0.4453 1.5071 2.3364 0.9837 0.4224 2.1101 1.2817 1.9840 2.5152 2.2761 1.2731 1.5274 1.0373 3.9654 3.6102 2.2196 3.6237 2.8996 3.6623 5.2863 5.6890 0.4697 0.4054 4.3879 0.8207 5.5864 5.3681 1.1955 1.4378 1.2930 4.7513 3.2413 2.2934 1.2248 3.0660 2.5389 4.9795 0.7634 2.8592 6.2214 6.0483 0.6677 1.2552 8.0442 2.8703 2.0506 5.5948 2.9468 6.9254 5.2298 5.6724 0.6441 2.7087 1.3518 9.4694 6.7183 2.9409 1.7106 8.4307 7.1722 11.6194 5.5101 4.5118 2.3798 8.1598 2.9324 3.9823 5.1631 5.1286 7.3637 4.6430 11.9230 4.9637 4.0387 15.8146 11.8929 3.0816 7.3816 8.8594 34.5158 5.5598 6.1463 11.1152 7.3667 7.4040 3.9653 8.3886 4.5532 1.1948 4.2357 0.7384 0.3292 9.7303 11.5261 5.2202 23.1626 10.4550 6.7375 12.6527 6.1294 3.9698 11.2041 4.1272 17.2352 12.3150 7.2865 30.1091 46.1945 40.4346 21.2606 16.1729 34.8369 100.3308 51.9883 82.1712 34.3308 24.8300 174.1871 58.8941 57.8279 22.5471 43.6141 48.5225 49.2240 92.6837 60.8818 209.9744 21.3280 26.3449 38.8420 133.0726 46.7707 17.5278 46.3881 72.7432 0.7453 0.7234 0.7458 0.7478 0.7474 0.7322 0.7363 0.6050 0.7094 0.5304 0.7447 0.2565 0.7077 0.6566 0.2873 0.3336 0.2033 0.3708 0.7340 0.5048 0.7448 0.0701 0.5282 0.4847 0.1864 0.3281 0.7066 0.7471 0.3451 0.5509 0.5616 0.7481 0.6266 0.3038 0.6689 0.3777 0.1092 0.4980 0.5078 0.7257 0.1776 0.0778 0.3908 0.1837 0.4712 0.6772 0.1538 0.2630 0.7223 0.7456 0.5018 0.5568 0.0946 0.2913 0.6685 0.6431 0.2684 0.0252 0.4988 0.7425 0.2605 0.3411 0.4552 0.1814 0.2504 0.3173 0.1182 0.4253 0.7105 0.6132 0.2850 0.4667 0.2385 0.1672 0.3976 0.7494 0.7189 0.7084 0.7036 0.4413 0.5246 0.1509 0.1624 0.5693 0.6230 0.6797 0.5315 0.7500 0.4969 0.7478 0.7107 0.6301 0.4702 0.4226 0.6920 0.6073 0.5062 0.2672 0.2216 0.7453 0.3505 0.2286 0.7182 0.5233 0.5166 0.5318 0.1812 0.6294 0.5930 0.7132 0.6592 0.3344 0.5283 0.3355 0.7331 0.7453 0.6073 0.6558 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14.00307 14.00307 1.00783 12.00000 12.00000 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 7137.0780 19094.6139 21822.5606 0.99997 0.00655 -0.00498 -0.00657 0.99997 -0.00312 0.00496 0.00315 0.99998 1 0.01214 0.00454 0.00397 0.25287 0.09452 0.08270 41.37 46.24 54.23 78.43 89.93 103.24 125.81 143.27 171.27 191.95 235.93 251.13 263.42 287.36 306.56 309.34 327.15 355.04 365.58 372.28 401.09 408.34 415.08 439.76 458.59 472.66 485.80 516.99 522.89 549.27 571.17 609.83 620.09 627.68 642.24 662.80 688.63 701.06 723.26 750.70 757.12 765.01 772.52 802.36 832.68 859.94 868.44 898.34 917.35 930.05 939.06 982.91 993.19 1028.40 1034.25 1062.55 1077.62 1087.53 1142.65 1168.09 1201.29 1219.05 1244.60 1280.07 1286.13 1313.52 1338.73 1368.66 1402.77 1423.89 1446.37 1457.44 1471.31 1507.11 1546.69 1554.51 1571.91 1609.53 1611.33 1628.73 1642.13 1658.08 1676.51 1706.53 1740.47 1756.68 1767.82 1776.36 1781.29 1795.45 1813.80 1847.98 1848.28 1875.88 1903.66 1908.75 1935.48 1988.38 1989.18 1993.00 2006.49 2015.00 2039.14 2075.08 2111.38 2115.40 2119.93 2128.31 2132.33 2158.43 2171.19 2194.98 2211.36 2239.79 2244.63 2253.26 2258.56 2265.58 2288.23 2292.13 2317.85 2332.84 2358.61 2359.38 2362.56 2373.72 2375.31 2377.61 2403.84 2412.82 2502.07 2549.98 2599.34 2601.88 2721.40 2796.05 2838.34 2930.32 4580.98 4627.76 4652.03 4674.85 4690.96 4703.00 4706.46 4717.37 4736.27 4741.26 4760.00 4808.94 4828.51 4847.77 4890.84 4900.59 4919.25 4932.07 5358.48 5485.72 5635.95 5637.29 5666.24 5918.54 0.486348 0.512944 0.513888 0.430451 -1554.353480 -1554.326884 -1554.325940 -1554.409378 2.798524D-04 MUNgauss RevisionA2.1 retrievium 06-Feb-2021 DUDE C[C@@]1(c2cccc(c2C(=O)[C@@H]3[C@@H]1C[C@@H]4[C@H](C(=O)C(=C([C@@]4(C3=O)O)[O-])C(=O)N)[NH+](C)C)O)O C44699813 RHF 6-31G(d) (6D,10F) C1 444.153266 |X|Y|Z| 53.210107 37.145532 95.357609 57.334851 18 6 18 |36.858105| |12.423161|36.858105| |7.594132|12.427485|36.858105| |5.726327|7.551484|13.841099|36.858105| |4.211721|5.003306|7.939974|13.659739|36.858105| |3.798966|4.403588|6.817166|7.902618|13.896848|36.858105| |4.219039|4.964082|7.833551|6.840278|7.968252|13.654111|36.858105| |5.751065|7.470395|13.499112|7.898386|6.866049|7.854416|13.546383|36.858105| |5.381318|6.460245|7.561237|5.048408|4.479896|5.050502|7.650522|12.884542|36.858105| |4.188107|4.612175|5.276400|4.003205|3.815888|4.513030|6.733653|8.097993|15.843256|73.516695| |6.079886|7.463451|6.462039|4.411727|3.690534|3.817296|4.944409|7.401061|12.569516|14.422652|36.858105| |6.500568|6.554206|5.444495|3.921178|3.318530|3.412928|4.294954|5.985859|9.071467|12.662042|17.583980|0.500000| |7.405370|12.423074|7.661676|5.151901|3.950496|3.771163|4.488882|6.640273|7.420107|9.229034|12.366377|0.245011|36.858105| |5.528070|9.160063|7.321617|5.243636|4.094374|3.900513|4.564052|6.444599|6.687472|8.637486|8.920469|0.174555|17.499052|0.500000| |6.062526|7.363930|4.887954|3.809473|3.056323|2.902682|3.303135|4.350385|4.897869|6.977031|7.591793|0.196668|12.413056|0.246344|36.858105| |4.143653|4.833526|3.790121|3.079684|2.608179|2.552436|2.916267|3.650476|4.297247|6.549166|6.377365|0.162409|7.469541|0.192070|12.363743|36.858105| |3.682750|4.029894|3.202685|2.690226|2.306305|2.247671|2.522109|3.066690|3.525889|5.551998|4.870947|0.133369|5.488724|0.140452|8.861329|17.571088|0.500000| |3.428015|4.195852|3.540980|2.980852|2.572327|2.517924|2.829439|3.426295|3.861152|5.979177|5.098484|0.121831|6.018159|0.189494|7.297243|12.425691|0.246081|36.858105| |3.507936|4.497338|3.975406|3.298087|2.860028|2.831891|3.228239|3.936105|4.443761|6.777296|5.706740|0.127264|6.610754|0.236699|6.586134|8.819600|0.173810|17.626778|0.500000| |2.727614|3.160910|2.804917|2.431965|2.173541|2.165204|2.416887|2.804389|3.179949|5.206761|3.937159|0.098470|4.156273|0.125450|4.792235|7.419936|0.191745|12.345563|0.249742|36.858105| |2.413649|2.783991|2.512336|2.241632|2.023628|2.000579|2.186085|2.480880|2.716655|4.475168|3.216515|0.081151|3.467624|0.106130|3.905844|5.302865|0.144235|8.128385|0.186109|15.417124|73.516695| |2.603925|2.920143|2.631698|2.264745|2.052196|2.082986|2.359987|2.716234|3.193881|5.420382|3.939500|0.101461|3.810111|0.109768|4.293614|6.505309|0.173964|7.570976|0.181218|13.636193|14.320597|36.858105| |2.930291|3.215950|2.865321|2.402194|2.164505|2.218542|2.571467|3.018718|3.738246|6.413643|4.848586|0.128987|4.315922|0.117372|4.866715|7.429405|0.191522|6.624570|0.166438|7.691215|9.284446|13.211128|36.858105| |3.847732|4.295610|3.624812|2.904256|2.536062|2.574972|3.042376|3.777628|4.883777|7.845221|7.480450|0.197119|6.424303|0.161515|7.570037|12.405618|0.250762|7.758761|0.197902|6.471048|8.127277|7.363137|12.287239|36.858105| |4.185362|4.971812|4.495112|3.431264|3.013599|3.152322|3.928281|5.082165|7.487010|11.592584|12.448239|0.248701|7.812856|0.204286|6.649560|7.690346|0.155687|6.442684|0.206171|5.181394|7.022618|5.518002|7.403446|12.358040|36.858105| |3.475542|4.154748|4.072576|3.231857|2.947413|3.163696|3.952899|4.789605|6.698210|11.471526|7.940150|0.168357|5.829471|0.172347|4.918876|5.732898|0.124408|5.765696|0.200364|5.092546|7.092403|5.507536|6.674805|7.899946|16.065199|73.516695| |4.025468|4.086427|3.406506|2.747014|2.404496|2.440540|2.872969|3.540048|4.569603|7.551345|6.740957|0.221226|5.542764|0.129180|6.670557|8.028336|0.207845|5.176801|0.132616|4.566201|6.299061|5.203108|7.989509|13.678297|8.011281|9.966972|73.516695| |2.695200|2.852156|2.588003|2.191247|2.002659|2.073414|2.404025|2.767497|3.441420|6.158424|4.255402|0.119353|3.643123|0.096919|3.996009|5.352379|0.145998|4.681737|0.122086|5.285330|7.193366|8.034381|15.819303|8.259358|5.959003|9.829851|13.382978|73.516695| |2.168611|2.382887|2.206142|1.943694|1.797503|1.836754|2.055392|2.293685|2.644883|4.622972|3.079896|0.080918|2.946221|0.084780|3.212700|4.317978|0.120305|4.870039|0.124816|7.561236|11.510714|12.717397|7.575864|4.827985|4.036410|7.516386|6.971573|11.714633|36.858105| |2.046904|2.219539|2.089909|1.844569|1.726379|1.785609|2.007986|2.211348|2.572715|4.618982|2.920969|0.077674|2.701062|0.076865|2.865743|3.676667|0.101223|3.934947|0.105252|5.316854|8.275565|8.034634|6.636437|4.337114|3.801408|7.245489|6.579346|12.125692|15.881723|73.516695| |1.969931|2.159305|1.999037|1.793808|1.662467|1.681371|1.847954|2.042153|2.287370|3.962308|2.623307|0.069135|2.600298|0.075400|2.859860|3.708991|0.106401|4.304109|0.108518|6.594308|12.366212|7.801146|5.157882|3.807628|3.254063|5.982946|5.706860|8.161360|13.916971|15.171198|53.358707| |3.292740|4.056245|3.390083|2.984581|2.547858|2.416391|2.615121|3.110379|3.271362|5.037312|4.056900|0.099538|5.194907|0.166836|6.302072|7.554989|0.185542|12.528056|0.256575|7.518995|12.723733|5.008353|4.393269|4.974617|4.464700|7.308866|6.928956|6.136684|3.772564|5.550233|4.955976|53.358707| |3.849401|4.929352|3.914963|3.421810|2.828560|2.626450|2.827671|3.437841|3.527185|5.282012|4.418986|0.107837|6.239852|0.201156|7.676998|7.499781|0.177541|9.428192|0.224520|5.680229|9.293429|4.238088|3.998985|4.841467|4.513336|7.158793|6.991201|5.732479|3.258565|4.953331|4.218170|25.776079|0.500000| |2.897374|3.333700|2.788984|2.515418|2.176295|2.060835|2.201696|2.564649|2.693659|4.251732|3.282305|0.084856|3.996875|0.117960|5.106747|6.040331|0.180137|7.483016|0.155701|6.281225|11.719351|4.493151|3.907708|4.186296|3.556260|5.799152|6.275597|5.670156|3.581697|5.241087|4.960255|17.356936|0.262138|36.858105| |2.843994|3.525440|3.164552|2.897591|2.539121|2.407361|2.551714|2.930740|2.981357|4.662459|3.446644|0.083675|4.216222|0.142238|4.460021|4.960506|0.123275|7.546598|0.208611|6.015372|11.879489|4.214736|3.605760|3.857618|3.763347|6.611423|5.517442|5.220827|3.432675|5.139383|4.652075|17.325767|0.263520|7.708248|36.858105| |3.438658|3.845892|5.193931|4.636909|5.333881|8.229181|14.377437|7.919244|6.645521|12.901879|4.360971|0.108185|3.729790|0.105019|2.891162|2.663223|0.064703|2.596808|0.081921|2.292981|3.689321|2.291206|2.508589|2.877925|3.718530|6.927569|4.863123|4.253233|2.032394|3.591768|2.471549|3.210600|0.069229|2.011717|2.312497|73.516695| |7.921364|13.477032|7.845424|6.780509|4.550054|3.792086|3.942781|5.161501|4.490551|6.222118|5.111856|0.127840|8.181746|0.213564|6.649292|4.510884|0.108351|4.157154|0.120332|3.109942|5.028616|2.767392|2.917251|3.719435|4.011289|6.210379|6.171317|4.559666|2.278024|3.719006|2.880083|6.074294|0.160204|3.695791|3.921381|5.604951|73.516695| |17.598515|8.718803|6.875391|5.080622|4.022447|3.847964|4.479680|6.120381|6.175426|8.683337|6.668380|0.219498|6.637618|0.138640|5.377552|3.951173|0.097640|3.238356|0.092754|2.644263|4.121784|2.596345|2.996607|3.939467|4.402517|6.453859|7.623277|5.006576|2.176485|3.703962|2.658761|4.078278|0.094199|2.647395|2.608623|6.656364|10.091912|0.500000| |17.580076|8.778019|5.505784|4.467418|3.444344|3.137609|3.438821|4.460711|4.448641|6.432178|5.400767|0.166964|6.724623|0.139965|6.736742|4.430770|0.113395|3.521050|0.096259|2.802019|4.403381|2.667890|3.004661|3.957882|4.002002|5.829438|7.593795|4.908836|2.212203|3.683797|2.750132|4.659140|0.111614|3.108235|2.867096|5.185879|12.784181|0.300498|0.500000| |17.544058|8.838770|6.981497|6.138005|4.499600|3.884825|4.069893|5.152838|4.481701|6.474804|4.642771|0.134258|5.447069|0.125192|4.624857|3.393710|0.085721|2.935561|0.083698|2.393954|3.844425|2.279814|2.514697|3.161054|3.425664|5.272057|5.828715|4.155360|1.937714|3.266725|2.425018|3.947392|0.093407|2.595123|2.582430|5.852682|12.646076|0.303516|0.300891|0.500000| |5.536822|6.981164|8.920155|17.763180|8.929942|5.653313|4.939039|5.615275|4.096153|5.932962|3.850054|0.097353|4.710553|0.132812|3.716896|2.973481|0.073362|2.887212|0.086809|2.353300|3.904365|2.164962|2.268653|2.721640|3.088561|5.132385|4.598497|3.671311|1.863332|3.122414|2.368398|4.080223|0.096903|2.566943|2.914857|6.538332|13.571722|0.128771|0.125461|0.174223|0.500000| |3.582732|4.088702|5.656473|8.910783|17.712389|8.997981|5.662063|4.948057|3.575671|5.598427|3.069221|0.078076|3.307491|0.095454|2.679210|2.318139|0.057816|2.307484|0.070382|1.978332|3.319221|1.863183|1.943126|2.236961|2.589938|4.528507|3.786881|3.210507|1.650989|2.819967|2.099944|3.166641|0.071310|2.020080|2.349778|7.644507|7.041570|0.094249|0.084191|0.108650|0.216592|0.500000| |3.152143|3.528464|4.925627|5.613530|8.890500|17.749499|8.959040|5.623762|4.128091|6.963864|3.212013|0.081224|3.129769|0.090047|2.503955|2.253613|0.055814|2.242133|0.069547|1.970507|3.266731|1.908646|2.018956|2.290936|2.759550|5.005717|3.877234|3.387791|1.709494|2.975928|2.140445|2.935209|0.064226|1.863542|2.172065|13.490704|5.577659|0.089355|0.074419|0.089969|0.124019|0.214441|0.500000| |5.695272|6.912872|4.575898|3.779502|2.996408|2.763355|3.030284|3.865849|4.047708|5.879362|5.510375|0.143939|8.806883|0.209004|17.558493|8.686049|0.208846|6.558532|0.160830|4.407525|6.763184|3.783062|4.016644|5.477033|4.930275|7.087668|8.813788|5.974944|2.926459|4.608718|3.671139|9.471081|0.267434|5.860118|4.801183|4.676700|13.684008|0.131768|0.182616|0.127631|0.107134|0.074288|0.066529|0.500000| |6.568158|6.555692|4.445095|3.511292|2.857382|2.733077|3.110640|4.035966|4.619141|6.781707|6.977953|0.214995|8.821916|0.173784|17.604603|8.990610|0.222981|5.455868|0.137310|4.066806|5.985726|3.871552|4.580651|6.982907|5.860260|7.712075|13.536979|7.068511|2.991600|4.840971|3.621022|6.515908|0.152695|4.281502|3.590960|4.906897|10.063133|0.167923|0.225620|0.135312|0.095321|0.070005|0.066006|0.306154|0.500000| |3.400240|3.427102|2.980875|2.457250|2.197695|2.256778|2.646790|3.157884|4.046716|7.052094|5.417890|0.172417|4.415712|0.107907|5.023814|6.131299|0.167297|4.482428|0.116222|4.295085|6.003884|5.245945|8.518988|10.105121|6.729104|9.306808|35.314666|17.654644|4.147330|7.220381|4.515000|4.662891|0.093901|3.168003|2.815847|4.589815|5.268693|0.101538|0.098867|0.079322|0.064220|0.054502|0.056774|0.111014|0.153570|0.500000| |2.011736|2.230505|2.054392|1.852286|1.707940|1.712603|1.869215|2.072046|2.289808|3.909493|2.634237|0.068718|2.684872|0.078964|2.973971|3.859771|0.110582|4.735244|0.117238|7.574136|17.035771|7.347817|4.774415|3.746146|3.223618|5.892169|5.532794|7.245082|9.363441|10.996085|26.067435|5.654407|0.095324|4.220031|3.964785|3.232288|3.948941|0.054789|0.057406|0.050625|0.050217|0.044121|0.044372|0.079294|0.075545|0.087006|0.500000| |1.797316|1.957204|1.836185|1.662305|1.556138|1.580631|1.728997|1.885590|2.097872|3.675053|2.355012|0.062322|2.314949|0.067067|2.498588|3.123470|0.088851|3.553170|0.092386|4.984386|9.459876|5.756404|4.252940|3.246768|2.870591|5.349347|4.999817|7.085597|9.588498|14.171461|26.025286|4.212122|0.074675|3.093704|2.988372|3.045822|3.407355|0.049703|0.050956|0.045522|0.044765|0.040305|0.041368|0.065771|0.065167|0.081414|0.311664|0.500000| |2.535333|2.877692|2.485558|2.255791|1.991290|1.910196|2.042610|2.340028|2.479783|3.993442|2.967306|0.076981|3.436207|0.101791|4.195038|5.203529|0.157145|6.714655|0.143089|6.940070|15.012277|4.834856|3.935710|3.920661|3.318148|5.565632|5.856391|5.733179|3.993923|5.684950|5.829067|12.368034|0.182639|17.735454|7.026550|3.369542|5.513100|0.065615|0.074680|0.063572|0.063352|0.051571|0.048463|0.125558|0.100955|0.084482|0.144692|0.099330|0.500000| |2.790111|3.194342|2.692437|2.490877|2.153635|2.010440|2.109727|2.431350|2.486379|3.921141|2.947563|0.076557|3.627002|0.107246|4.439017|4.731459|0.137572|5.529332|0.127376|4.706548|8.995891|3.593636|3.213898|3.468054|3.077050|5.068958|5.384237|4.816671|2.997463|4.509482|4.194882|12.367634|0.229502|17.629080|7.146836|3.405273|6.560572|0.069887|0.083092|0.070845|0.071976|0.056168|0.050629|0.147941|0.105666|0.075946|0.097998|0.074776|0.297509|0.500000| |3.083735|3.436493|2.796969|2.490808|2.141263|2.031248|2.185899|2.571121|2.739713|4.324071|3.419688|0.090884|4.143546|0.115835|5.757961|6.860515|0.233817|6.987665|0.142605|5.825120|9.865194|4.508478|4.131487|4.548011|3.663769|5.774788|7.062648|6.042108|3.546870|5.243536|4.800181|12.293254|0.223840|17.665527|5.606629|3.553922|6.652989|0.078340|0.094583|0.075784|0.070530|0.055002|0.050907|0.184933|0.138955|0.097656|0.109490|0.083073|0.299060|0.300112|0.500000| |2.990882|3.843996|3.575118|3.261343|2.864195|2.725169|2.897902|3.330873|3.337256|5.159955|3.767437|0.088678|4.615018|0.166927|4.474491|4.790864|0.113561|7.071255|0.234522|5.447029|9.956749|4.043699|3.573480|3.905632|4.080371|7.376848|5.532639|5.198529|3.296399|5.054831|4.329631|12.330551|0.227715|5.617819|17.639834|4.626791|7.472730|0.076455|0.081548|0.075439|0.089610|0.072882|0.067812|0.129231|0.099171|0.078289|0.099545|0.078357|0.142980|0.146165|0.126261|0.500000| |2.735084|3.342796|3.001897|2.835412|2.481641|2.309177|2.393395|2.716538|2.692272|4.216215|3.052799|0.075536|3.769090|0.123294|3.994202|4.164237|0.107302|5.550108|0.150593|4.602460|9.100993|3.453697|3.044105|3.275784|3.197862|5.557557|4.889825|4.539496|2.915161|4.450537|4.018003|12.352511|0.229260|7.180306|17.625039|3.831194|6.912528|0.068797|0.077012|0.070299|0.081255|0.064798|0.058103|0.124948|0.091663|0.069507|0.094145|0.073040|0.175741|0.221493|0.145975|0.299716|0.500000| |2.502709|3.007114|2.752881|2.529741|2.268393|2.187716|2.325853|2.622424|2.713596|4.351362|3.101484|0.076324|3.587089|0.117008|3.816435|4.469243|0.114826|6.803101|0.183471|6.622490|15.427729|4.510609|3.639157|3.657936|3.505495|6.324537|5.232293|5.282289|3.802638|5.575434|5.352682|12.347869|0.183043|6.971385|17.749684|3.827277|5.754108|0.064960|0.070225|0.063405|0.070067|0.058655|0.055563|0.110348|0.088386|0.075812|0.132040|0.095043|0.209027|0.172865|0.142524|0.298870|0.296748|0.500000| |3.503727|3.876416|4.955449|4.174682|4.460161|6.083015|10.106064|7.777822|8.027112|18.707054|4.940464|0.122712|3.937029|0.108934|3.053799|2.852584|0.068929|2.743860|0.086615|2.434673|3.863366|2.475015|2.764559|3.185595|4.242646|7.970051|5.402978|4.725426|2.185873|3.892203|2.622021|3.310133|0.070871|2.072178|2.350156|35.389234|5.538212|0.108629|0.083308|0.090657|0.094048|0.101541|0.153296|0.075583|0.081527|0.080125|0.053193|0.050384|0.054390|0.054229|0.057554|0.073073|0.060175|0.061113|0.500000| 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