Version2.0 2019-11-20T12:04:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCN1C(=O)[C@H]2[C@@H]([NH2+][C@@]([C@@H]2C1=O)(Cc3ccc(cc3)[N+](=O)[O-])C(=O)[O-])c4cc(c(c(c4)C)O)C C33743434 RHF 6-31G(d) (6D,7F) CCCCN1C(=O)[C@H]2[C@@H]([NH2+][C@@]([C@@H]2C1=O)(Cc3ccc(cc3)[N+](=O)[O-])C(=O)[O-])c4cc(c(c(c4)C)O)C C01[X(C26H29N3O7)] 189 C1 598 CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2c1cc(C)c(c(c1)C)O)(Cc1ccc(cc1)[N+](=O)[O-])C(=O)[O-] CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2c1cc(C)c(c(c1)C)O)(Cc1ccc(cc1)[N+](=O)[O-])C(=O)[O-] CCCCN1C(=O)[C@H]2[C@@H]([NH2+][C@](Cc3ccc(cc3)[N+]([O-])=O)([C@@H]2C1=O)C([O-])=O)c4cc(C)c(O)c(C)c4 InChIKey=BTFSOLQDXTYCCZ-VSCPTIONSA-N InChI=1S/C26H29N3O7/c1-4-5-10-28-23(31)19-20(24(28)32)26(25(33)34,13-16-6-8-18(9-7-16)29(35)36)27-21(19)17-11-14(2)22(30)15(3)12-17/h6-9,11-12,19-21,27,30H,4-5,10,13H2,1-3H3,(H,33,34)/t19-,20+,21+,26-/m1/s1 InChI=1/C26H29N3O7/c1-4-5-10-28-23(31)19-20(24(28)32)26(25(33)34,13-16-6-8-18(9-7-16)29(35)36)27-21(19)17-11-14(2)22(30)15(3)12-17/h6-9,11-12,19-21,27,30H,4-5,10,13H2,1-3H3,(H,33,34)/t19-,20+,21+,26-/m1/s1/f/h27H CCCCN1C(=O)[C@H]2[C@@H]([NH2+][C@@]([C@@H]2C1=O)(Cc3ccc(cc3)[N+](=O)[O-])C(=O)[O-])c4cc(c(c(c4)C)O)C C01[X(C26H29N3O7)] 189 C01 598 CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2c1cc(C)c(c(c1)C)O)(Cc1ccc(cc1)[N+](=O)[O-])C(=O)[O-] CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2][C@H]2c1cc(C)c(c(c1)C)O)(Cc1ccc(cc1)N(O)O)C(=O)O CCCCN1C(=O)[C@H]2[C@@H]([NH2][C@](Cc3ccc(cc3)N(O)O)([C@@H]2C1=O)C(O)=O)c4cc(C)c(O)c(C)c4 InChIKey=PFXIIFQOBLEBJL-VSCPTIONSA-N InChI=1S/C26H32N3O7/c1-4-5-10-28-23(31)19-20(24(28)32)26(25(33)34,13-16-6-8-18(9-7-16)29(35)36)27-21(19)17-11-14(2)22(30)15(3)12-17/h6-9,11-12,19-21,30,35-36H,4-5,10,13,27H2,1-3H3,(H,33,34)/t19-,20+,21+,26-/m1/s1 InChI=1/C26H32N3O7/c1-4-5-10-28-23(31)19-20(24(28)32)26(25(33)34,13-16-6-8-18(9-7-16)29(35)36)27-21(19)17-11-14(2)22(30)15(3)12-17/h6-9,11-12,19-21,30,35-36H,4-5,10,13,27H2,1-3H3,(H,33,34)/t19-,20+,21+,26-/m1/s1/f/h33H 3923.2683437950 -1688.7479646 1-A 21119.7840 131 467 598 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.62305 -20.60483 -20.60333 -20.58290 -20.57996 -20.49561 -20.48443 -15.85898 -15.69508 -15.63525 -11.39982 -11.39613 -11.34725 -11.33050 -11.33035 -11.32128 -11.30781 -11.29889 -11.29164 -11.28474 -11.28233 -11.27892 -11.27788 -11.27430 -11.27353 -11.27305 -11.27231 -11.27110 -11.27081 -11.26804 -11.26142 -11.25731 -11.24414 -11.23560 -11.23217 -11.22099 -1.63765 -1.45684 -1.44409 -1.43707 -1.42097 -1.39237 -1.34420 -1.30503 -1.28208 -1.21037 -1.19994 -1.16103 -1.13073 -1.10132 -1.09983 -1.08881 -1.05805 -1.05339 -1.01578 -1.00252 -0.98009 -0.96958 -0.94643 -0.94505 -0.91035 -0.88557 -0.87314 -0.85488 -0.84579 -0.84147 -0.82203 -0.81826 -0.81045 -0.78843 -0.77269 -0.76621 -0.74146 -0.73707 -0.73356 -0.72316 -0.71511 -0.70334 -0.69708 -0.68947 -0.67874 -0.67371 -0.66392 -0.65672 -0.65255 -0.64862 -0.64350 -0.63812 -0.63081 -0.62943 -0.62775 -0.62094 -0.61770 -0.60493 -0.60290 -0.59771 -0.59465 -0.59168 -0.58840 -0.58722 -0.58039 -0.57723 -0.57162 -0.56976 -0.55702 -0.55407 -0.54793 -0.53857 -0.53296 -0.52771 -0.52520 -0.52002 -0.51727 -0.51348 -0.50727 -0.50177 -0.49232 -0.49039 -0.48987 -0.48405 -0.46042 -0.45460 -0.45239 -0.42007 -0.40682 -0.38551 -0.38419 -0.37508 -0.36920 -0.36445 -0.34046 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.05433 0.09913 0.10594 0.11101 0.12078 0.16259 0.16785 0.18529 0.18718 0.20029 0.21706 0.22201 0.22725 0.23004 0.23380 0.24585 0.24781 0.25915 0.26225 0.26482 0.26808 0.27292 0.27927 0.28091 0.28372 0.29342 0.30262 0.30568 0.30717 0.31143 0.31726 0.31963 0.32174 0.32274 0.33021 0.33585 0.33785 0.34571 0.35061 0.35428 0.36288 0.37294 0.37642 0.38083 0.38486 0.39185 0.39644 0.40025 0.40158 0.41291 0.41972 0.42906 0.43005 0.44676 0.44864 0.45790 0.46368 0.46568 0.47126 0.48948 0.49544 0.50086 0.50529 0.51967 0.52560 0.52929 0.54566 0.55008 0.55583 0.56840 0.58959 0.60859 0.62199 0.64286 0.65131 0.67486 0.67675 0.68163 0.68567 0.69037 0.69430 0.70404 0.71106 0.71118 0.71437 0.71929 0.72473 0.73314 0.73836 0.74452 0.74932 0.75365 0.75771 0.76093 0.77187 0.77883 0.78468 0.78714 0.79050 0.79216 0.79971 0.80421 0.81157 0.81895 0.82805 0.83222 0.83495 0.83569 0.83920 0.84380 0.85302 0.86906 0.87460 0.87814 0.87881 0.88593 0.88795 0.90920 0.91092 0.91540 0.92099 0.92622 0.93585 0.94067 0.94531 0.95405 0.96015 0.96333 0.96958 0.97320 0.98085 0.98532 0.99316 1.00175 1.00667 1.01007 1.01577 1.01951 1.02261 1.02915 1.03579 1.03848 1.03964 1.04772 1.05188 1.06204 1.06615 1.07417 1.07792 1.08109 1.08551 1.08827 1.09087 1.10196 1.10255 1.10645 1.11151 1.11453 1.12093 1.12388 1.12853 1.13294 1.13862 1.14330 1.14576 1.14992 1.16313 1.16619 1.17114 1.17492 1.17970 1.18233 1.18668 1.18848 1.19558 1.20156 1.20340 1.20805 1.20963 1.21357 1.22227 1.22451 1.22946 1.23248 1.23760 1.24332 1.24628 1.24858 1.25686 1.26322 1.27112 1.27705 1.28409 1.28737 1.28822 1.29831 1.30802 1.31592 1.32344 1.33044 1.33309 1.35331 1.35810 1.35893 1.37075 1.38355 1.38482 1.39511 1.40093 1.41988 1.42982 1.43459 1.44491 1.46055 1.46816 1.47007 1.47761 1.49104 1.50182 1.50517 1.51312 1.52447 1.52698 1.53147 1.54195 1.57383 1.57766 1.57879 1.59155 1.60237 1.60956 1.61463 1.61649 1.62912 1.63390 1.65077 1.65941 1.66373 1.67249 1.67559 1.68527 1.69100 1.69994 1.71587 1.72716 1.73215 1.74605 1.75401 1.75621 1.76313 1.77566 1.78011 1.78940 1.79877 1.81525 1.82243 1.84779 1.86801 1.88902 1.90630 1.92171 1.93954 1.96778 1.97768 1.97812 1.98237 1.99197 1.99637 2.00235 2.01899 2.01968 2.02503 2.03244 2.03349 2.04188 2.04805 2.04981 2.05669 2.06564 2.08148 2.08702 2.09282 2.09743 2.09897 2.10011 2.10275 2.10466 2.11748 2.12302 2.13372 2.13661 2.14395 2.14940 2.15445 2.16145 2.16849 2.17337 2.18470 2.18722 2.19254 2.19911 2.20775 2.21871 2.22589 2.22914 2.23234 2.24205 2.24712 2.25922 2.26248 2.27420 2.28501 2.28833 2.29618 2.29977 2.30416 2.30824 2.31481 2.31753 2.32237 2.34116 2.35304 2.36392 2.36738 2.37241 2.37914 2.38708 2.39612 2.39889 2.40468 2.41545 2.42710 2.44265 2.44426 2.45193 2.46465 2.46945 2.48325 2.48453 2.49031 2.49449 2.51823 2.53012 2.55172 2.56665 2.57341 2.57524 2.57835 2.58323 2.58806 2.59621 2.60167 2.60917 2.61110 2.61725 2.62135 2.62979 2.64219 2.66279 2.67684 2.68546 2.69467 2.69534 2.70060 2.70778 2.71150 2.72554 2.72860 2.73978 2.75489 2.78784 2.79560 2.81381 2.83293 2.84013 2.84919 2.85118 2.86696 2.87399 2.88193 2.88407 2.89245 2.90248 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917.5424 937.5700 950.6093 954.8736 967.6970 968.9955 982.3304 987.4369 997.2066 1007.2264 1015.7268 1018.1497 1037.0455 1061.6663 1091.3604 1101.9260 1108.7515 1111.2851 1114.0394 1118.5768 1135.1250 1139.3722 1152.7341 1153.8516 1166.0548 1173.4923 1183.9941 1196.6166 1201.7795 1214.6551 1231.7981 1243.4258 1268.3332 1275.0108 1290.0458 1297.1728 1309.0129 1318.2827 1320.4652 1337.8821 1346.5298 1365.2712 1373.5741 1389.6640 1412.1547 1413.3623 1420.9198 1434.6193 1450.2372 1456.7034 1457.8865 1464.9390 1472.9925 1484.1862 1499.9503 1501.9769 1516.4519 1522.3046 1524.9059 1533.1824 1564.3959 1568.1074 1568.8285 1572.7276 1572.8727 1581.6404 1587.0482 1610.1901 1625.0068 1626.0861 1629.4203 1632.9926 1636.8010 1636.8685 1641.8861 1643.9448 1644.3089 1648.4683 1655.7515 1674.7038 1678.8252 1768.8751 1791.1379 1806.9014 1807.4113 1816.2346 1867.4761 1972.0156 2010.2264 2069.0587 3190.6410 3192.2103 3195.2150 3199.5002 3204.3542 3210.2072 3216.6355 3217.0082 3221.1546 3238.1574 3244.1969 3264.8153 3268.1483 3269.9424 3271.5255 3279.2604 3287.4806 3297.5074 3298.1563 3311.2309 3322.8892 3349.5144 3356.8217 3362.9334 3408.5502 3438.0880 3439.8642 3738.8888 4137.0921 3.8774 6.9631 4.6822 4.4510 5.7823 6.0898 8.1786 6.0911 7.0467 1.7496 7.0412 7.8453 5.4886 3.9420 3.2328 3.4514 4.2891 8.2614 1.0669 6.8875 1.3494 4.1110 3.8915 4.3241 5.2870 2.3496 1.1546 4.6529 4.4114 3.1146 2.2541 1.8351 2.7842 4.8978 5.2088 4.6593 5.8207 4.1020 6.9418 2.1752 3.8194 3.0152 3.9583 4.6092 4.4713 5.2190 4.7761 3.2579 4.5239 7.0406 4.6367 5.3988 4.4364 5.5088 4.8530 4.0081 6.6031 4.5488 5.3391 4.0967 2.8140 1.4373 3.1281 4.6260 3.1349 2.3041 4.4033 3.2723 5.1292 2.8886 4.7037 4.6568 3.8223 1.5364 6.2670 2.6966 2.1065 2.0467 1.5094 1.4162 1.4325 2.9827 1.9078 2.7584 3.5727 1.7278 1.7971 2.1921 2.5314 2.2186 2.5559 2.0695 2.9051 1.4342 1.4889 1.4838 2.5743 3.0385 1.8083 3.0004 2.2363 3.1800 1.9757 2.4686 1.7101 2.0391 1.7269 2.3223 1.8998 1.8295 1.4812 1.7936 1.4816 2.8737 1.4947 1.4644 1.2960 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0.7984 1.5592 1.9388 19.3447 0.1734 0.8481 1.5472 1.5255 59.1746 35.8112 4.8883 16.3752 10.4314 6.7263 11.5159 35.6864 4.1070 14.7144 3.7541 0.4608 2.8140 19.8605 11.4113 10.6620 2.3460 0.2572 5.7972 4.9716 7.0011 9.6387 22.3311 17.9075 1.7071 6.2160 1.2539 7.7013 6.8177 9.0027 19.6612 8.8866 20.0813 14.8867 20.9931 41.4590 29.2907 7.8236 4.4660 11.8465 65.4661 38.2101 17.4218 7.6555 50.8393 8.2279 29.1838 1.8299 22.3215 3.2073 6.4686 7.1612 38.4612 12.8050 2.0303 6.4070 18.1389 21.1063 6.7334 19.6627 2.6945 2.6397 3.6155 1.4627 0.6680 0.1601 211.2294 4.9209 1.7353 12.3037 8.1962 19.5419 7.6758 23.2503 2.4010 69.7329 9.7924 26.6392 1.0686 47.9488 28.6170 21.4756 22.5066 49.3551 13.7974 38.7909 13.5034 84.9275 97.2243 10.2142 25.7005 11.6247 209.7989 10.2024 65.7368 41.3174 432.2437 138.6126 65.4207 224.1023 29.9726 10.3528 6.8146 2.4565 2.8744 3.5635 54.0654 68.5890 5.5335 4.2957 20.3458 24.8547 4.7097 5.7557 388.1338 1.4111 5.3050 34.6409 3.4648 67.3318 1.4367 65.9809 36.8183 29.4739 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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 16930.6249 25171.4934 34270.5876 0.99912 -0.03802 0.01784 0.03827 0.99917 -0.01397 -0.01729 0.01464 0.99974 1 0.00512 0.00344 0.00253 0.10660 0.07170 0.05266 21.00 23.41 28.27 33.46 43.15 59.83 69.27 77.83 94.92 109.70 114.68 123.41 149.25 168.61 184.06 185.45 193.45 201.29 219.67 231.74 254.33 258.38 285.39 319.29 340.31 355.76 373.46 392.55 414.80 442.86 452.33 453.00 458.53 465.29 488.27 513.68 536.07 561.52 589.50 593.05 645.58 668.39 686.83 726.84 766.06 771.02 786.08 798.95 815.91 832.27 882.50 898.66 907.19 957.81 976.14 994.84 997.60 1043.23 1058.18 1099.69 1132.55 1140.58 1151.34 1176.52 1198.77 1207.34 1231.72 1238.95 1266.35 1274.79 1320.14 1348.95 1367.71 1373.85 1392.30 1394.17 1413.35 1420.70 1434.76 1449.17 1461.40 1464.89 1492.08 1527.50 1570.22 1585.43 1595.25 1598.89 1602.85 1609.38 1633.19 1639.30 1658.53 1660.14 1677.69 1688.39 1703.50 1721.66 1729.09 1747.62 1772.28 1789.01 1824.85 1834.46 1856.09 1866.34 1883.38 1896.71 1899.85 1924.91 1937.36 1964.32 1976.27 1999.42 2031.78 2033.51 2044.39 2064.10 2086.57 2095.87 2097.57 2107.72 2119.31 2135.41 2158.09 2161.01 2181.84 2190.26 2194.00 2205.91 2250.82 2256.16 2257.19 2262.80 2263.01 2275.63 2283.41 2316.70 2338.02 2339.58 2344.37 2349.51 2354.99 2355.09 2362.31 2365.27 2365.79 2371.78 2382.26 2409.53 2415.46 2545.02 2577.05 2599.73 2600.46 2613.16 2686.88 2837.29 2892.27 2976.91 4590.62 4592.88 4597.20 4603.37 4610.35 4618.77 4628.02 4628.56 4634.52 4658.99 4667.68 4697.34 4702.14 4704.72 4707.00 4718.12 4729.95 4744.38 4745.31 4764.12 4780.90 4819.20 4829.72 4838.51 4904.14 4946.64 4949.20 5379.43 5952.35 0.568159 0.600345 0.601289 0.499690 -1688.179806 -1688.147620 -1688.146675 -1688.248274 3.407647D-04 MUNgauss RevisionA1.9 retrievium 20-Nov-2019 DUDE CCCCN1C(=O)[C@H]2[C@@H]([NH2+][C@@]([C@@H]2C1=O)(Cc3ccc(cc3)[N+](=O)[O-])C(=O)[O-])c4cc(c(c(c4)C)O)C C33743434 RHF 6-31G(d) (6D,10F) C1 495.200507 |X|Y|Z| 84.829247 107.555902 48.532644 76.220408 21 6 7 19 2 |36.858105| |12.467507|36.858105| |7.486019|12.454720|36.858105| |4.882661|7.517406|12.480661|36.858105| |3.786866|4.961822|7.662206|13.044874|53.358707| |3.300518|4.064510|5.723030|7.605584|18.689300|36.858105| |3.274769|3.999706|5.273172|6.564745|11.294719|16.057838|73.516695| |2.789764|3.246723|4.341118|5.157344|11.356466|12.598102|13.824236|36.858105| |2.924547|3.304175|4.488749|4.851019|9.822509|9.204672|11.562211|17.517208|0.500000| |2.299130|2.599994|3.246043|3.728952|6.987882|6.961152|10.255344|12.566436|0.248709|36.858105| |2.180048|2.492230|3.041381|3.605482|6.565001|6.380446|9.941104|8.897446|0.174862|17.633105|0.500000| |2.127376|2.370287|2.914578|3.277438|5.957546|5.044625|7.355490|8.248766|0.202294|12.450256|0.252628|53.358707| |2.048932|2.237530|2.725881|2.954805|5.179872|4.333082|6.539609|6.589555|0.186066|9.008278|0.184171|25.761019|0.500000| |1.942438|2.163346|2.596685|2.944763|5.163663|4.261210|6.453345|6.115791|0.147160|8.929730|0.238463|25.086050|0.318908|0.500000| |2.296905|2.592832|3.235814|3.701609|6.912307|5.154344|7.097954|7.894879|0.198425|7.466740|0.176793|16.843587|0.247495|0.264855|36.858105| |2.681055|3.158958|4.135453|5.149890|11.319812|8.102125|9.736517|12.556741|0.248448|8.029252|0.198968|11.098456|0.169658|0.183147|12.453499|36.858105| |2.502472|2.981182|3.752243|4.881223|9.910266|7.272042|9.463267|8.987580|0.175465|7.314962|0.218280|9.539039|0.144317|0.180669|8.964321|17.498350|0.500000| |3.280693|4.045055|5.666392|7.585683|18.541779|8.156981|9.768410|8.145939|0.201558|5.211232|0.133630|6.860212|0.119320|0.120495|6.893363|12.582271|0.255897|36.858105| |3.340957|4.067181|5.413535|6.596020|11.314465|5.517598|7.465222|5.506069|0.148341|4.022229|0.104662|5.616813|0.101802|0.102190|5.705329|7.740312|0.179027|16.103216|73.516695| |2.339688|2.566109|3.188890|3.413196|5.999798|4.260858|6.064109|5.873430|0.178776|5.248255|0.122261|10.109833|0.204833|0.166530|12.436286|7.406611|0.153637|5.918856|9.896169|36.858105| |2.011600|2.152510|2.577082|2.694565|4.482651|3.300572|4.969999|4.330449|0.130958|4.358963|0.103909|8.547482|0.202086|0.153915|7.426203|4.861116|0.113059|4.029666|6.902280|12.563550|36.858105| |1.798431|1.922965|2.245148|2.369252|3.833473|2.789431|4.287060|3.488116|0.100332|3.598831|0.090767|6.806798|0.150667|0.137213|5.828519|4.024069|0.100013|3.413568|6.016069|7.519782|13.658137|36.858105| |1.613179|1.702319|1.952470|2.033770|3.212645|2.368967|3.736478|2.879568|0.083043|3.039294|0.077672|5.430121|0.123379|0.111948|4.209477|3.161554|0.080628|2.749077|4.841161|5.007501|7.902732|13.788528|36.858105| |1.587522|1.655964|1.896589|1.944083|3.053475|2.289653|3.656771|2.775835|0.081886|2.956917|0.074339|5.117420|0.121854|0.102474|3.730503|2.903708|0.073405|2.545980|4.429165|4.452752|6.897080|7.990975|13.760224|36.858105| |1.723140|1.789763|2.075948|2.103122|3.335770|2.535005|4.035514|3.128038|0.095524|3.316331|0.080624|5.700281|0.143301|0.108164|4.031176|3.155052|0.077686|2.757551|4.724545|5.008060|7.874681|6.841124|7.883701|13.806763|36.858105| |1.954662|2.052044|2.439302|2.481971|4.050188|3.072929|4.756797|3.960768|0.125061|4.087557|0.095625|7.373417|0.192420|0.130636|5.395454|4.016432|0.094684|3.433804|5.804548|7.555425|13.685270|7.936458|6.877921|8.023889|13.760047|36.858105| |1.424539|1.474085|1.661509|1.693927|2.610459|1.961492|3.190442|2.312054|0.067569|2.470236|0.063310|4.073933|0.094530|0.083005|2.921583|2.384947|0.061523|2.131261|3.722351|3.320947|4.514093|5.126185|7.767543|13.065131|7.795369|5.138903|53.358707| |1.340991|1.390591|1.554618|1.593773|2.437449|1.817660|2.964984|2.115464|0.060921|2.253162|0.058762|3.686832|0.083120|0.076634|2.686210|2.214748|0.057981|1.992343|3.507806|2.985290|3.895839|4.677182|7.073776|8.382975|5.432018|4.100879|21.745414|73.516695| |1.393982|1.431332|1.607578|1.623631|2.486110|1.883343|3.094623|2.200853|0.064877|2.352927|0.060050|3.771119|0.088111|0.075849|2.649788|2.216846|0.057113|1.997160|3.469647|2.988154|3.896389|4.091818|5.418393|8.381249|7.104086|4.687430|21.703727|16.014929|73.516695| |2.016072|2.272294|2.715661|3.138291|5.440596|3.943331|5.775558|5.123965|0.126371|5.317368|0.146698|10.504807|0.169506|0.242816|12.063739|7.453812|0.210394|5.183304|8.408892|7.317013|5.953377|5.913721|4.314976|3.574978|3.561177|4.326420|3.903402|4.864221|4.517865|36.858105| |1.849075|2.074800|2.441055|2.817372|4.786233|3.647952|5.547942|4.661066|0.112601|5.432650|0.161535|10.431723|0.167117|0.307716|8.095117|5.919675|0.181764|4.199438|6.683440|5.348766|4.891493|4.995586|3.994648|3.394199|3.342690|3.875132|3.812162|4.787829|4.440403|15.399830|73.516695| |2.012063|2.263923|2.667959|3.059304|5.101838|3.494572|5.169604|4.229586|0.108228|4.096427|0.112675|7.256746|0.127681|0.156491|8.094680|6.096643|0.170087|4.990011|8.894044|6.610744|5.423800|5.788130|4.207353|3.388104|3.292084|3.915370|3.744857|4.752146|4.302082|15.730934|15.097171|73.516695| |2.152920|2.367078|2.880275|3.137360|5.422240|5.296901|8.925538|7.280022|0.189596|12.641910|0.248549|10.299317|0.208280|0.172580|4.986116|5.023585|0.129140|3.859318|5.626158|4.141657|3.781171|3.151877|2.802299|2.852474|3.275777|3.874686|3.323137|3.912101|4.246007|3.892008|7.226767|5.641087|36.858105| |1.932020|2.115555|2.492275|2.722890|4.488861|4.237680|7.648828|5.077221|0.128944|7.632537|0.206779|7.408421|0.147837|0.142533|3.884161|3.926224|0.107772|3.152529|4.724124|3.260799|3.080462|2.702626|2.475233|2.518989|2.804703|3.147529|3.028089|3.616279|3.894475|3.331003|6.463131|4.914614|13.774349|36.858105| |1.792983|1.925279|2.221664|2.358756|3.741416|3.398200|6.289944|3.852908|0.103502|5.026236|0.134071|5.528881|0.116159|0.107559|3.104534|3.099949|0.084330|2.618329|4.034222|2.755619|2.685135|2.385758|2.247560|2.339012|2.610619|2.831842|2.882758|3.436598|3.782270|2.722119|5.210401|4.142354|7.865315|13.715844|36.858105| |1.824944|1.925534|2.223002|2.292594|3.601496|3.216233|5.900103|3.648343|0.103845|4.452017|0.111658|5.132427|0.112884|0.096596|2.960318|2.922645|0.077119|2.527887|3.939590|2.751309|2.721873|2.379233|2.263665|2.414911|2.767437|2.982741|2.987130|3.510316|3.991327|2.541609|4.726823|3.926875|6.871249|7.995387|13.710954|36.858105| |2.006763|2.106966|2.481842|2.517978|4.020894|3.598329|6.404763|4.237123|0.128320|4.996312|0.116261|5.828706|0.133478|0.104043|3.358839|3.287499|0.083556|2.843106|4.408920|3.216263|3.167252|2.665974|2.504610|2.705544|3.222077|3.582565|3.272344|3.780643|4.380197|2.756852|4.982854|4.257147|7.860924|6.853837|7.825367|13.637645|36.858105| |2.200637|2.357571|2.866876|2.968764|4.979853|4.631379|7.849501|6.029646|0.187819|7.503233|0.155132|8.134182|0.187752|0.134426|4.396745|4.311617|0.106018|3.554625|5.337796|4.082391|3.850657|3.116289|2.819294|2.979222|3.581131|4.251399|3.474618|4.010440|4.536296|3.387529|6.040048|5.097426|13.673780|7.986830|6.855399|7.998634|13.800460|36.858105| |1.974127|2.019824|2.344923|2.301087|3.567937|3.052186|5.414548|3.464883|0.108491|3.760147|0.089431|4.690534|0.108111|0.084629|2.893654|2.815254|0.071003|2.539650|4.046977|2.924914|2.944228|2.487395|2.382387|2.635853|3.190976|3.449296|3.245090|3.717165|4.450092|2.405530|4.263173|3.816622|4.991905|4.442994|5.005139|7.576339|12.629315|7.534256|36.858105| |1.678936|1.746020|1.975556|2.008035|3.071240|2.659644|4.914532|2.917979|0.083577|3.385041|0.087127|4.082149|0.089532|0.078327|2.462542|2.427543|0.064460|2.158781|3.431126|2.342305|2.352027|2.094742|2.031454|2.187093|2.480092|2.594119|2.773336|3.274508|3.762205|2.165743|4.010866|3.412796|4.622759|5.235671|7.942709|14.113046|8.178240|5.309937|6.951944|73.516695| |1.610146|1.723934|1.944528|2.068710|3.193908|2.814561|5.281669|3.057549|0.081135|3.796088|0.107479|4.385501|0.090427|0.088839|2.581482|2.587352|0.072164|2.235442|3.503682|2.302129|2.261799|2.070278|1.979152|2.045601|2.224256|2.354282|2.577790|3.121294|3.386378|2.363444|4.579665|3.657169|5.002864|7.541280|12.601148|7.547964|4.987561|4.439950|3.783484|11.724617|36.858105| |17.556734|8.782720|5.462129|4.055233|4.363012|2.840378|5.070289|2.432136|0.069932|2.051377|0.054624|2.597571|0.051107|0.048943|2.049142|2.360184|0.062155|2.828222|5.150579|2.077499|1.812057|1.641087|1.484013|1.459352|1.571281|1.761465|1.797113|2.221036|2.299131|1.832304|3.010458|3.265635|1.932336|1.759385|1.644681|1.668425|1.812900|1.964894|1.787318|2.752983|1.494624|0.500000| |17.539059|8.775746|6.782254|4.509221|4.986949|3.342599|6.040611|2.825006|0.083319|2.343105|0.061266|2.914533|0.057719|0.054032|2.266907|2.629789|0.067836|3.129133|5.503838|2.308707|2.001928|1.776956|1.602524|1.592406|1.742989|1.974152|1.948836|2.384701|2.506582|1.969968|3.237272|3.452115|2.237523|2.008168|1.880169|1.932456|2.134004|2.318894|2.117928|3.171318|1.682290|0.301730|0.500000| |17.541542|8.777381|6.785129|4.509936|4.988617|3.151917|5.397174|2.756184|0.081564|2.269513|0.059259|2.915693|0.057691|0.054181|2.344479|2.693544|0.068893|3.320326|6.194066|2.446327|2.103249|1.876436|1.680360|1.653280|1.796660|2.042715|2.014212|2.473695|2.571321|2.052065|3.312385|3.674807|2.117503|1.884623|1.748644|1.790442|1.986054|2.184162|1.971238|2.929524|1.564226|0.301741|0.301495|0.500000| |8.861889|17.513809|8.854867|6.914998|6.298042|3.993781|7.367421|3.115206|0.086230|2.542700|0.068701|3.099072|0.059486|0.058182|2.439842|2.977032|0.079839|3.669439|6.346923|2.363966|2.005255|1.803008|1.606505|1.565690|1.687176|1.919497|1.907895|2.355720|2.425172|2.161349|3.563936|3.792051|2.337420|2.123101|1.938947|1.924121|2.076540|2.303112|1.975992|3.110296|1.751616|0.212932|0.210821|0.172991|0.500000| |8.863730|17.516788|8.858455|6.914910|6.300018|3.681192|6.286344|3.023918|0.084293|2.449830|0.065918|3.100199|0.059452|0.058362|2.536379|3.069391|0.081554|3.985731|7.467542|2.511015|2.106208|1.906278|1.684276|1.622944|1.735291|1.981786|1.968590|2.440669|2.483164|2.270134|3.663830|4.090590|2.202306|1.979438|1.796446|1.784626|1.940289|2.171706|1.856010|2.882584|1.620246|0.212981|0.172994|0.210889|0.303655|0.500000| |6.854893|8.839728|17.536137|8.896245|9.546878|5.146594|7.977505|4.294095|0.128296|3.203426|0.081971|4.066176|0.078396|0.073407|3.419973|4.259492|0.103749|6.050038|11.144201|3.523115|2.806032|2.422492|2.089165|2.024404|2.223386|2.639744|2.395864|2.920484|3.017854|2.836348|4.439854|5.030576|2.824710|2.412067|2.152926|2.174842|2.460278|2.857005|2.353831|3.440115|1.875412|0.140236|0.168577|0.203317|0.173557|0.211822|0.500000| |6.861656|8.844574|17.519605|8.886640|9.530945|6.126062|10.651884|4.567440|0.135444|3.419751|0.087508|4.062376|0.078458|0.073026|3.191715|4.019440|0.100216|5.080901|8.168438|3.145926|2.578402|2.219296|1.945184|1.915824|2.124264|2.496894|2.288222|2.777317|2.914919|2.630552|4.263264|4.500588|3.129127|2.687765|2.413076|2.444282|2.759140|3.179396|2.615901|3.850349|2.088990|0.140319|0.203487|0.168791|0.211791|0.173622|0.302263|0.500000| |4.522695|6.827835|8.813343|17.622055|12.618020|7.272624|13.095467|4.717456|0.119711|3.592364|0.099318|4.167186|0.076628|0.077603|3.312401|4.493257|0.124608|5.766538|8.815368|2.989754|2.430758|2.162555|1.881835|1.807874|1.948252|2.265764|2.165497|2.668703|2.722799|2.877978|4.732591|4.921889|3.088769|2.754617|2.395386|2.300219|2.477776|2.877907|2.245253|3.592542|2.125869|0.108329|0.119424|0.111042|0.205947|0.170235|0.173764|0.212304|0.500000| |4.527073|6.839099|8.823775|17.622899|12.608874|5.759196|8.847282|4.410491|0.114541|3.339372|0.091299|4.166289|0.076493|0.077970|3.565162|4.827164|0.131326|7.302866|12.963965|3.304853|2.616842|2.347756|2.010191|1.897330|2.022853|2.369490|2.255095|2.793819|2.805017|3.150368|4.972079|5.635389|2.791907|2.457578|2.138575|2.070018|2.252963|2.629992|2.071818|3.250580|1.900521|0.108438|0.111112|0.119526|0.170529|0.206344|0.212590|0.173748|0.301698|0.500000| |2.380650|2.621521|3.220989|3.456125|5.883685|3.915184|5.610802|4.937326|0.144735|4.279921|0.105271|7.526602|0.146594|0.134887|9.120649|6.664687|0.145651|6.108697|11.479741|17.620071|8.874512|6.943413|4.668651|3.993290|4.244065|5.759460|4.179089|5.038366|4.876431|7.012002|8.736385|13.444777|3.427318|2.807181|2.407555|2.391900|2.737444|3.353367|2.532062|3.686646|2.058415|0.058915|0.064160|0.069870|0.066353|0.072671|0.100808|0.085620|0.082792|0.096202|0.500000| |2.587941|2.812893|3.589281|3.701696|6.546474|4.671601|6.589956|6.420693|0.224724|5.276574|0.118333|8.914470|0.188411|0.140996|8.791484|7.041576|0.141243|6.195771|10.136264|17.537875|8.933222|5.615901|4.205105|4.020009|4.793430|7.332751|4.202709|4.872351|5.098211|5.387092|7.640477|8.778035|4.333837|3.320060|2.836272|2.901090|3.503267|4.518536|3.240757|4.380043|2.336066|0.062891|0.071626|0.075668|0.071189|0.075118|0.112329|0.100265|0.088769|0.096738|0.303168|0.500000| |1.796374|1.940033|2.254311|2.417987|3.899058|2.779330|4.251922|3.412696|0.095284|3.464436|0.089935|6.429188|0.132411|0.134328|5.927630|4.144223|0.105761|3.544621|6.374161|6.979375|8.903559|17.749050|8.943539|5.671321|4.937886|5.646632|5.661321|7.157223|6.043471|6.963005|9.872497|13.558773|2.949691|2.564320|2.245922|2.204271|2.431128|2.839815|2.250412|3.456936|1.973600|0.045688|0.048858|0.051994|0.050536|0.054000|0.067475|0.061019|0.061192|0.067665|0.202950|0.141486|0.500000| |1.501415|1.583685|1.794033|1.874856|2.920883|2.141765|3.410049|2.545514|0.072269|2.685442|0.070217|4.652828|0.102282|0.098488|3.611653|2.810891|0.073406|2.480239|4.408631|4.078626|5.625967|8.905455|17.786501|8.932398|5.636059|4.960095|9.764685|14.137467|8.820617|3.905177|6.584017|6.978182|2.481327|2.242189|2.050627|2.047394|2.223265|2.465241|2.117250|3.301983|1.838690|0.038630|0.041288|0.043364|0.041667|0.043786|0.053058|0.049389|0.048479|0.051908|0.110143|0.096542|0.214586|0.500000| |1.667452|1.713769|1.972076|1.973895|3.089607|2.369474|3.836106|2.864833|0.088055|3.041295|0.074163|4.959462|0.123416|0.094026|3.418099|2.803902|0.069608|2.492393|4.258250|4.081789|5.611448|4.941046|5.632845|8.942042|17.787942|8.874510|9.798471|8.845471|14.225164|3.017646|5.128588|4.971963|3.126962|2.717844|2.602499|2.829865|3.311007|3.529168|3.414883|4.597609|2.223528|0.042345|0.047207|0.048219|0.045035|0.045904|0.058355|0.056592|0.051162|0.052430|0.097919|0.113646|0.107363|0.124335|0.500000| |2.105884|2.196638|2.643990|2.641846|4.327577|3.337009|5.172960|4.319929|0.144797|4.338434|0.098379|7.290755|0.191222|0.123102|5.159445|4.114318|0.095040|3.578488|5.944389|7.007722|8.888052|5.637623|4.953507|5.692519|8.970354|17.698503|5.680127|6.059384|7.186324|3.916245|6.277881|6.269997|4.258595|3.350220|3.033970|3.288546|4.143721|5.006793|4.080775|5.039626|2.469500|0.052268|0.059714|0.061146|0.056933|0.058159|0.079626|0.076549|0.066836|0.068816|0.147462|0.224392|0.123979|0.107629|0.215058|0.500000| |1.866366|2.065825|2.410855|2.695702|4.422000|4.121385|7.472193|4.779248|0.115569|7.104998|0.231222|7.052281|0.132820|0.145143|3.801088|3.900225|0.112530|3.111687|4.666560|3.091357|2.896485|2.607576|2.381487|2.374729|2.576583|2.869620|2.870169|3.478106|3.652830|3.416289|6.855445|5.015584|8.939459|17.704933|8.963608|5.678510|4.941089|5.663292|3.551750|7.500780|7.038804|0.047503|0.053406|0.050379|0.057981|0.054184|0.064396|0.071081|0.076658|0.068383|0.075322|0.085361|0.070084|0.060726|0.068584|0.082778|0.500000| |2.374783|2.527168|3.133711|3.171145|5.377375|4.836042|7.814083|6.490798|0.234498|6.899182|0.139536|8.257417|0.196635|0.130505|4.797050|4.655006|0.108850|3.919426|5.908784|4.764236|4.399003|3.394479|3.017110|3.204860|3.982439|4.990300|3.658654|4.179227|4.764174|3.520500|6.020817|5.371302|8.866311|5.656781|4.941122|5.685119|9.026993|17.692617|7.043889|7.632197|3.549394|0.058245|0.069520|0.066309|0.067378|0.064459|0.088762|0.096926|0.083141|0.077752|0.106177|0.156506|0.084791|0.072140|0.108287|0.176214|0.124112|0.500000| |1.785016|1.820133|2.085153|2.055949|3.163886|2.653176|4.675485|3.018115|0.092665|3.327150|0.080803|4.321220|0.100682|0.079842|2.674666|2.543244|0.064808|2.288984|3.696201|2.723582|2.833566|2.440437|2.393965|2.700162|3.259448|3.371362|3.395099|3.866821|4.748860|2.277814|4.071689|3.629785|4.283828|3.984821|4.595359|6.744059|8.856745|5.872895|17.568707|12.425759|3.647605|0.045274|0.052783|0.049725|0.049446|0.046921|0.058449|0.063591|0.055710|0.052129|0.065902|0.082069|0.060945|0.059343|0.099706|0.107999|0.090677|0.152804|0.500000| |2.114478|2.146883|2.519724|2.430699|3.781174|3.180441|5.513390|3.646799|0.119304|3.784911|0.088243|4.844642|0.112974|0.085615|3.072599|2.974453|0.073405|2.718769|4.357752|3.220132|3.233227|2.665749|2.531531|2.819991|3.509087|3.884766|3.418197|3.877983|4.683735|2.501150|4.339562|3.998246|4.735702|3.974355|4.159305|5.581799|8.871661|7.239582|17.580105|8.889974|3.216073|0.052733|0.063103|0.059277|0.057596|0.054661|0.071362|0.078341|0.064838|0.060682|0.076957|0.102117|0.066393|0.061803|0.104836|0.133934|0.090429|0.224779|0.300925|0.500000| |1.985487|2.012803|2.305859|2.237902|3.395506|2.897377|5.281659|3.146814|0.097110|3.325776|0.081130|4.064581|0.090717|0.074297|2.571580|2.567360|0.065490|2.369586|3.793509|2.582238|2.557263|2.195892|2.103696|2.297375|2.715266|2.916817|2.865190|3.327089|3.921806|2.168875|3.842807|3.478645|4.287522|3.988261|4.601435|6.753976|8.861588|5.878155|17.571465|12.443135|3.652773|0.050135|0.059824|0.054646|0.055147|0.051037|0.063581|0.072168|0.061325|0.055764|0.063331|0.079325|0.055957|0.052575|0.080164|0.094043|0.090754|0.153088|0.303298|0.301139|0.500000| |1.587505|1.656041|1.856768|1.902018|2.887956|2.488798|4.634303|2.694575|0.075708|3.137353|0.083043|3.787790|0.081722|0.074091|2.299910|2.276223|0.061337|2.027426|3.231916|2.164523|2.171046|1.963003|1.910119|2.038062|2.269831|2.357163|2.606427|3.109406|3.520984|2.061101|3.856265|3.255325|4.153172|4.969864|7.741540|9.947263|6.052130|4.439536|5.168427|35.794195|7.912148|0.040915|0.046680|0.043131|0.046361|0.042900|0.050284|0.056156|0.053570|0.048372|0.053717|0.062515|0.051046|0.048967|0.065285|0.070368|0.116422|0.101344|0.146010|0.111347|0.146393|0.500000| |1.494459|1.587743|1.779630|1.879051|2.884467|2.485340|4.581237|2.726367|0.073312|3.347872|0.093777|4.067585|0.085456|0.083399|2.413573|2.364692|0.065677|2.051055|3.255290|2.186051|2.194876|2.032029|1.974815|2.060232|2.226166|2.307280|2.632960|3.190921|3.484725|2.239893|4.352945|3.486456|4.279414|5.864390|8.798433|6.670902|4.555968|3.966904|3.631132|11.665642|17.518502|0.038669|0.043265|0.040564|0.044585|0.041663|0.048097|0.052778|0.053201|0.048383|0.054412|0.061228|0.053542|0.051196|0.062377|0.066618|0.152849|0.090315|0.101614|0.085517|0.096454|0.231638|0.500000| 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