Version2.0 2020-04-13T09:27:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 27-Mar-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)CN(C[C@H]1C[NH+](C[C@@H]1c2ccccc2)Cc3ccc4c(c3)OCO4)C(=O)c5ccccc5F C34698981 RHF 6-31G(d) (6D,7F) CC(C)CN(C[C@H]1C[NH+](C[C@@H]1c2ccccc2)Cc3ccc4c(c3)OCO4)C(=O)c5ccccc5F C01[X(C30H34F1N2O3)] 204 C1 608 CC(CN(C(=O)c1ccccc1F)C[C@H]1C[NH+](C[C@@H]1c1ccccc1)Cc1ccc2c(c1)OCO2)C CC(CN(C(=O)c1ccccc1F)C[C@H]1C[NH+](C[C@@H]1c1ccccc1)Cc1ccc2c(c1)OCO2)C CC(C)CN(C[C@H]1C[NH+](C[C@@H]1c2ccccc2)Cc3ccc4OCOc4c3)C(=O)c5ccccc5F InChIKey=UHLXUFKVPZKDRE-AOYPEHQESA-O InChI=1S/C30H33FN2O3/c1-21(2)15-33(30(34)25-10-6-7-11-27(25)31)18-24-17-32(19-26(24)23-8-4-3-5-9-23)16-22-12-13-28-29(14-22)36-20-35-28/h3-14,21,24,26H,15-20H2,1-2H3/p+1/t24-,26-/m1/s1 InChI=1/C30H33FN2O3/c1-21(2)15-33(30(34)25-10-6-7-11-27(25)31)18-24-17-32(19-26(24)23-8-4-3-5-9-23)16-22-12-13-28-29(14-22)36-20-35-28/h3-14,21,24,26H,15-20H2,1-2H3/p+1/t24-,26-/m1/s1/fC30H34FN2O3/h32H/q+1 CC(C)CN(C[C@H]1C[NH+](C[C@@H]1c2ccccc2)Cc3ccc4c(c3)OCO4)C(=O)c5ccccc5F C01[X(C30H34F1N2O3)] 204 C01 608 CC(CN(C(=O)c1ccccc1F)C[C@H]1C[NH+](C[C@@H]1c1ccccc1)Cc1ccc2c(c1)OCO2)C CC(CN(C(=O)c1ccccc1F)C[C@H]1C[NH](C[C@@H]1c1ccccc1)Cc1ccc2c(c1)OCO2)C CC(C)CN(C[C@H]1C[NH](C[C@@H]1c2ccccc2)Cc3ccc4OCOc4c3)C(=O)c5ccccc5F InChIKey=GVYYAKAMIPSQBK-AOYPEHQESA-N InChI=1S/C30H34FN2O3/c1-21(2)15-33(30(34)25-10-6-7-11-27(25)31)18-24-17-32(19-26(24)23-8-4-3-5-9-23)16-22-12-13-28-29(14-22)36-20-35-28/h3-14,21,24,26,32H,15-20H2,1-2H3/t24-,26-/m1/s1 InChI=1/C30H34FN2O3/c1-21(2)15-33(30(34)25-10-6-7-11-27(25)31)18-24-17-32(19-26(24)23-8-4-3-5-9-23)16-22-12-13-28-29(14-22)36-20-35-28/h3-14,21,24,26,32H,15-20H2,1-2H3/t24-,26-/m1/s1 3896.7906845709 -1588.5923247 1-A 20863.2903 130 478 608 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900.2009 906.4103 922.2835 931.1419 947.0111 952.0705 977.5989 986.9556 990.4914 1008.0505 1011.5247 1014.7508 1021.1541 1028.1338 1033.0296 1044.6563 1048.2239 1059.5974 1062.5637 1088.8512 1090.1832 1094.7113 1103.4958 1116.4369 1123.6313 1130.1299 1131.5445 1133.5753 1139.3951 1142.1014 1174.9469 1179.0381 1189.2199 1192.3770 1197.5157 1209.4054 1215.4850 1223.0095 1224.3845 1233.0045 1236.5537 1239.3989 1260.0593 1289.9784 1303.2858 1304.0360 1309.1551 1314.1649 1321.9660 1323.3624 1329.5205 1334.0722 1342.1915 1345.2664 1358.0030 1366.7148 1385.9052 1404.5715 1423.4011 1430.5910 1433.7850 1450.5530 1457.4982 1462.8265 1478.9011 1482.0025 1500.6965 1502.1226 1506.1687 1524.2272 1540.0273 1551.0566 1557.7439 1561.9356 1566.0348 1576.7698 1581.2210 1586.0985 1605.4218 1612.6567 1626.5312 1627.6378 1632.0212 1636.4469 1640.2464 1642.7142 1649.2474 1650.0366 1655.4021 1658.4465 1668.0857 1671.3790 1672.4474 1676.5943 1683.8472 1713.8047 1784.6287 1786.0324 1809.6063 1811.5158 1816.2100 1827.1640 1838.6252 3199.6964 3201.9717 3207.6073 3236.9487 3258.0903 3262.8022 3267.2538 3268.5147 3276.3477 3279.0894 3279.5795 3283.0012 3284.6430 3289.0714 3294.0238 3325.7281 3329.5547 3350.8034 3354.1248 3354.8635 3358.2973 3360.3811 3369.2501 3375.9966 3380.8956 3382.3446 3382.5084 3386.0453 3392.0107 3399.4050 3403.5983 3411.2425 3412.8975 3588.1327 4.2549 6.2352 4.5986 4.9365 5.4787 5.5461 4.7645 2.9879 4.7294 4.3556 3.3171 2.8042 4.9671 4.8259 4.0856 5.3419 6.4512 3.8929 5.1323 3.7972 3.7695 1.0776 5.3300 3.4790 1.2730 3.9116 4.0998 3.4970 3.6007 3.4186 3.5496 3.7133 3.9406 3.3020 3.6322 2.0612 2.8816 2.5315 2.8777 3.1742 3.6991 2.3815 4.7537 4.3110 4.0161 4.6658 6.6119 3.5267 4.2899 3.9275 4.0935 5.6925 5.2539 4.6727 4.1750 3.7102 1.8486 4.7314 5.1728 6.9987 5.4251 4.4545 2.2003 1.8490 2.9664 2.6822 2.2670 6.2832 6.4678 2.3005 2.4216 1.9998 1.2567 1.5588 1.7499 1.6279 1.4742 2.3688 1.4148 2.3438 1.7143 1.6207 1.6433 1.5917 1.3673 2.7201 2.9329 1.7489 2.1592 1.3717 3.6457 5.9840 1.4347 2.3073 1.9951 1.3521 2.2488 2.9731 2.2448 2.0978 2.9609 2.7213 2.6095 2.1773 2.0083 1.9642 2.6817 1.9288 1.9047 1.4918 1.4659 1.7919 1.9626 1.2510 1.6359 2.2850 2.0943 1.4514 1.5597 1.3965 1.7224 1.4790 2.6799 1.4366 1.6851 1.3764 1.3709 1.5132 1.3251 1.4284 1.3210 1.4404 1.4237 1.6345 1.8128 1.3992 1.4221 1.3711 1.3549 1.4664 1.3084 1.2875 1.3088 1.2457 1.4357 2.0198 3.2561 1.7179 1.9081 1.1016 1.0952 1.1094 1.1016 1.0963 1.0780 1.2691 1.1438 1.5031 2.0561 1.9758 1.5930 1.6051 1.1401 6.2622 5.0604 5.2236 6.5953 6.5578 6.8870 8.5910 1.0834 1.0379 1.0388 1.0746 1.0856 1.1027 1.0606 1.1022 1.1024 1.0588 1.0809 1.0801 1.0844 1.0750 1.0655 1.1101 1.1066 1.0884 1.1159 1.0927 1.0920 1.1077 1.0918 1.0912 1.1000 1.0893 1.0940 1.0952 1.0925 1.0990 1.0960 1.0983 1.0957 1.0799 0.0005 0.0010 0.0009 0.0024 0.0034 0.0040 0.0047 0.0036 0.0076 0.0089 0.0101 0.0098 0.0290 0.0300 0.0429 0.0646 0.1079 0.0739 0.1119 0.0935 0.1140 0.0374 0.2023 0.1415 0.0575 0.1830 0.2249 0.2157 0.2315 0.2250 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6.2971 6.6341 6.7899 6.9165 6.6705 6.9376 6.9722 6.7076 6.8496 6.8587 6.8929 6.8519 6.8117 7.2343 7.2277 7.1999 7.3967 7.2459 7.2564 7.3694 7.3023 7.3273 7.4082 7.3424 7.3749 7.3985 7.4063 7.4824 7.4804 7.5297 7.5192 8.1917 0.0486 0.1428 0.0685 0.1365 0.5808 0.2281 1.2168 0.4523 0.2909 0.7507 1.6053 10.2497 3.2767 2.3283 5.4363 4.9692 2.6495 4.3728 0.6951 0.0406 0.5010 0.0100 1.4830 4.2627 0.8477 5.9493 1.4424 1.8761 4.4886 0.6974 1.5677 2.8684 2.1526 2.9012 11.2062 2.5834 0.1100 3.8399 2.4735 13.7880 1.7893 0.7683 6.1373 3.5602 9.4169 4.8233 15.0850 2.8691 12.5756 3.3486 0.7043 1.6988 3.3304 14.1236 10.1937 21.9243 31.5345 1.3384 5.3219 1.9575 16.9840 2.9319 72.0501 41.3630 5.7198 4.0165 32.2003 11.3952 7.5541 8.1144 10.2226 29.9506 0.2613 2.4745 9.4499 10.8467 19.7533 9.3457 13.4417 11.3730 4.2286 1.2468 1.7626 0.5446 0.9647 1.9072 1.9097 3.0027 4.1904 0.4100 34.3313 69.5035 0.7177 3.4896 3.4750 0.5934 7.8600 89.7840 33.5375 5.3473 76.4921 8.9524 3.2734 16.0912 29.4699 3.5096 24.6815 23.0862 32.7777 17.0173 59.1329 22.9355 56.9144 4.0885 2.4683 4.5814 31.2119 4.9535 1.7640 2.0975 28.5350 189.5371 29.2764 10.0094 28.3545 0.4287 2.1122 86.8102 2.5481 3.9407 14.2017 22.3427 8.1612 66.5922 119.7952 24.2254 25.3527 10.9184 18.1164 29.5086 6.4514 7.0047 262.6158 3.8443 12.1237 126.5807 117.7587 70.4389 16.8039 16.5648 9.6350 22.8970 11.3982 19.5115 9.1678 128.4440 44.4706 68.9693 121.5928 140.4801 96.1789 111.6125 0.4132 29.7390 3.1913 3.6321 5.5322 137.0562 3.0583 440.1798 24.2120 33.6757 10.1918 21.8153 6.1373 30.2173 8.1103 54.8969 11.9275 104.1693 5.9924 9.6656 67.7117 13.0225 11.3566 6.6811 11.4016 24.3050 36.6850 22.6895 5.4239 6.7960 10.7199 3.3355 2.0733 0.1249 0.3776 23.4933 5.4333 14.3081 6.1906 2.9800 1.2617 269.2127 3.8598 1.7602 4.0380 2.7176 0.5839 1.8081 4.7828 0.9004 2.0939 0.4867 2.1390 0.5910 1.8122 2.0705 3.0079 2.4476 1.3011 0.7761 3.0105 0.1667 1.6366 0.1124 2.5350 1.3168 0.3114 2.3330 2.4187 1.9441 2.1041 0.5302 1.0174 0.9520 2.3554 1.1548 0.4277 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 18277.5136 22017.1253 35305.1628 0.99984 -0.01194 0.01297 0.01196 0.99993 -0.00142 -0.01295 0.00158 0.99991 1 0.00474 0.00393 0.00245 0.09874 0.08197 0.05112 21.05 24.19 26.42 41.51 46.87 50.35 59.04 64.90 75.38 84.86 103.61 110.66 143.11 147.81 191.99 206.16 242.37 258.33 276.78 294.11 325.97 349.19 365.19 378.00 398.21 405.43 439.02 465.55 475.32 480.84 493.67 531.96 561.39 576.12 620.54 648.84 652.50 665.05 677.24 684.47 699.66 712.45 716.46 790.87 812.36 823.77 849.45 885.00 904.30 944.64 949.27 971.75 979.79 1016.14 1036.82 1062.81 1122.50 1138.02 1144.00 1157.18 1171.82 1213.90 1227.89 1233.64 1241.24 1257.04 1263.73 1295.19 1304.12 1326.96 1339.71 1362.54 1369.82 1406.55 1420.01 1425.10 1450.36 1455.36 1460.00 1469.21 1479.26 1486.30 1503.03 1508.16 1524.52 1528.79 1566.61 1568.53 1575.05 1587.68 1606.30 1616.65 1626.00 1628.04 1630.96 1639.34 1643.23 1690.49 1696.37 1711.02 1715.56 1722.96 1740.06 1748.81 1759.64 1761.62 1774.02 1779.13 1783.22 1812.94 1855.99 1875.14 1876.22 1883.58 1890.79 1902.01 1904.02 1912.88 1919.43 1931.11 1935.54 1953.86 1966.40 1994.01 2020.87 2047.96 2058.30 2062.90 2087.02 2097.01 2104.68 2127.81 2132.27 2159.17 2161.22 2167.04 2193.02 2215.76 2231.62 2241.25 2247.28 2253.17 2268.62 2275.02 2282.04 2309.84 2320.25 2340.22 2341.81 2348.11 2354.48 2359.95 2363.50 2372.90 2374.03 2381.75 2386.13 2400.00 2404.74 2406.28 2412.25 2422.68 2465.78 2567.68 2569.70 2603.62 2606.37 2613.12 2628.88 2645.37 4603.65 4606.92 4615.03 4657.25 4687.67 4694.44 4700.85 4702.66 4713.93 4717.88 4718.58 4723.51 4725.87 4732.24 4739.37 4784.98 4790.49 4821.06 4825.84 4826.90 4831.84 4834.84 4847.60 4857.31 4864.35 4866.44 4866.68 4871.76 4880.35 4890.99 4897.02 4908.02 4910.40 5162.52 0.639068 0.669376 0.670320 0.572129 -1587.953257 -1587.922949 -1587.922005 -1588.020196 3.293342D-04 MUNgauss RevisionA2.0 retrievium 13-Apr-2020 DUDE CC(C)CN(C[C@H]1C[NH+](C[C@@H]1c2ccccc2)Cc3ccc4c(c3)OCO4)C(=O)c5ccccc5F C34698981 RHF 6-31G(d) (6D,10F) C1 489.255346 |X|Y|Z| 103.299639 92.859043 39.619067 72.433992 30 6 7 8 26 2 2 |36.858105| |12.452860|36.858105| |7.545164|12.430666|36.858105| |7.467273|12.396865|7.641126|36.858105| |6.205540|7.513912|4.960763|12.975768|53.358707| |4.948924|5.979953|4.211088|7.616812|17.813668|36.858105| |3.593932|4.310911|3.440221|5.509769|10.171926|12.288497|36.858105| |3.463210|4.363751|3.639947|5.574208|8.778372|8.810038|17.614789|0.500000| |3.149002|3.590749|2.976297|4.710357|8.650159|7.357118|12.486443|0.247193|36.858105| |2.889549|3.112260|2.575134|3.798663|7.009064|6.120003|8.077630|0.161202|12.798574|53.358707| |3.219753|3.372520|2.713433|4.098374|8.051043|6.884749|7.422325|0.146879|9.499651|25.543959|0.500000| |2.667106|2.894663|2.424231|3.348427|5.831349|5.604844|7.738832|0.160372|8.095412|17.314693|0.254870|36.858105| |3.011187|3.420502|2.820621|3.925676|6.744104|7.517088|12.185080|0.240696|7.847698|10.667569|0.190594|12.275974|36.858105| |3.202738|3.563720|2.880305|3.888138|6.680822|7.759756|8.811434|0.186568|5.898921|8.541888|0.173273|8.862920|17.604789|0.500000| |2.574094|2.953435|2.561982|3.277957|5.127964|5.080703|7.286718|0.199634|5.503854|7.070201|0.125647|7.431871|12.535864|0.251480|36.858105| |2.435430|2.756776|2.425523|2.906660|4.400227|4.243879|5.152946|0.143505|4.008966|5.356789|0.100931|5.308018|7.584995|0.209998|13.724578|36.858105| |2.122638|2.393190|2.178323|2.494201|3.644700|3.310364|3.909834|0.113640|3.253028|4.295563|0.080958|3.994898|5.015392|0.135469|7.889329|13.730322|36.858105| |1.967825|2.229755|2.065943|2.368598|3.419306|3.007593|3.662248|0.109759|3.197404|4.121497|0.076093|3.709717|4.416096|0.111989|6.817159|7.936285|13.778505|36.858105| |2.037584|2.328916|2.147601|2.555942|3.727100|3.264117|4.236487|0.129704|3.818383|4.764987|0.085118|4.253910|4.986192|0.117124|7.889732|6.894886|7.959972|13.732548|36.858105| |2.308065|2.658029|2.381945|3.002909|4.542679|4.142675|5.966510|0.180397|5.236250|6.353000|0.109225|5.956074|7.468268|0.155855|13.671178|7.973330|6.892293|7.934226|13.775629|36.858105| |2.456453|2.584710|2.212115|3.097311|5.336671|4.208084|5.067253|0.115962|7.564632|17.283164|0.259654|7.493808|5.007643|0.118971|3.939768|3.152821|2.671682|2.637378|3.048282|3.826568|36.858105| |2.256528|2.304033|1.980234|2.649489|4.477917|3.537703|3.936120|0.091825|4.959675|10.404530|0.200162|6.153857|4.178434|0.106668|3.390341|2.869220|2.457510|2.386011|2.660542|3.205484|12.652196|36.858105| |1.967700|2.015365|1.763620|2.268207|3.699589|2.959722|3.328563|0.080370|3.966196|7.467987|0.138864|5.303036|3.703655|0.095148|3.210306|2.781258|2.437586|2.387440|2.642203|3.095693|7.607232|13.803745|36.858105| |1.811004|1.825441|1.608221|2.009629|3.222953|2.553436|2.760583|0.067705|3.128746|5.540510|0.109431|4.067438|3.070035|0.082001|2.722966|2.457641|2.188843|2.124118|2.287868|2.599347|5.004739|7.842384|13.584880|36.858105| |1.872542|1.851663|1.621897|2.021632|3.256041|2.539152|2.639770|0.064411|2.948125|5.175037|0.108292|3.669456|2.871529|0.078730|2.497309|2.283308|2.023392|1.939553|2.064740|2.342356|4.487158|6.953013|8.088819|13.970463|36.858105| |2.117747|2.069075|1.786268|2.278851|3.752060|2.878023|2.914043|0.069873|3.294885|5.910399|0.131031|3.918286|3.076283|0.084899|2.578370|2.330434|2.033878|1.937807|2.072333|2.387678|5.089449|8.061441|6.976454|7.915753|13.720767|36.858105| |2.370244|2.346077|1.997803|2.659890|4.527632|3.464406|3.562413|0.083211|4.247595|8.210547|0.187571|4.885169|3.666917|0.098648|2.951784|2.581460|2.215143|2.118434|2.307924|2.729931|7.578915|13.504526|7.857307|6.721579|7.915499|13.988969|36.858105| |2.074279|1.982693|1.718653|2.142094|3.469025|2.610861|2.555145|0.062125|2.800406|4.746979|0.107233|3.194272|2.656918|0.074913|2.257103|2.084021|1.835713|1.740510|1.836473|2.084327|3.848153|5.199511|4.690811|5.405874|8.545068|14.131386|7.795503|73.516695| |1.810974|1.740592|1.531945|1.858144|2.940383|2.230466|2.211586|0.054706|2.391038|3.952793|0.086203|2.769452|2.334834|0.065828|2.044928|1.917829|1.716706|1.633332|1.708772|1.906233|3.200880|4.211573|4.219781|5.354503|8.582862|8.581513|5.357391|23.970433|36.858105| |1.730175|1.692170|1.494775|1.816557|2.873274|2.220498|2.263620|0.056063|2.462327|4.131548|0.087348|2.976629|2.446406|0.068195|2.169742|2.029841|1.823475|1.742903|1.828221|2.035845|3.419082|4.683040|5.213233|7.791928|14.156688|8.553670|5.410906|14.922441|13.489577|73.516695| |5.340068|5.408343|3.955821|7.608123|19.276432|7.994467|5.812809|0.135184|6.000114|7.373683|0.186710|4.162741|4.309892|0.118175|3.285433|2.832810|2.378427|2.250065|2.456239|2.964214|4.355061|3.700369|2.944659|2.566722|2.648661|3.161936|3.920466|5.219237|2.418900|4.128041|36.858105| |4.274402|4.209639|3.221197|5.278866|11.598481|7.214637|5.740463|0.125979|6.318181|9.202971|0.272464|4.874826|4.642930|0.128252|3.409885|2.923274|2.426148|2.280299|2.488234|3.030977|5.346518|4.654906|3.516543|3.032739|3.178696|3.951559|5.165079|6.383934|2.852027|4.845871|15.616847|73.516695| |5.082446|4.828786|3.842911|6.415816|10.482556|5.029139|4.121915|0.103622|4.420356|5.481707|0.129382|3.202997|3.245844|0.088555|2.644071|2.330660|2.020724|1.941484|2.110547|2.469590|3.603750|3.151849|2.569420|2.287002|2.381576|2.826079|3.391556|4.799405|2.249554|3.784408|12.683615|14.471000|36.858105| |4.926010|4.189328|3.440386|4.809868|7.339765|3.999558|3.294051|0.083362|3.444394|4.535832|0.107289|2.760858|2.763471|0.077288|2.295274|2.075484|1.817725|1.736490|1.858028|2.134678|3.079525|2.849404|2.363474|2.164695|2.305641|2.753628|3.183708|4.861446|2.277987|3.742926|7.591086|11.207249|13.708026|36.858105| |3.998053|3.469851|3.061724|3.859142|5.459396|3.142290|2.716664|0.070543|2.867632|3.764804|0.085932|2.336445|2.325554|0.064539|1.990034|1.815060|1.617623|1.560514|1.666609|1.883958|2.650292|2.479098|2.103799|1.950390|2.074164|2.434131|2.742695|4.351960|2.083464|3.415653|5.037025|7.861816|7.916411|13.771991|36.858105| |3.489417|3.230788|2.974446|3.710235|5.047272|2.917843|2.618809|0.069382|2.819332|3.601427|0.079885|2.227980|2.218841|0.060482|1.928695|1.747447|1.572079|1.535845|1.653771|1.860593|2.578388|2.362288|2.021727|1.859004|1.945581|2.245549|2.540567|3.947870|1.917164|3.190948|4.452388|6.867693|6.853684|7.941283|13.730335|36.858105| |3.522598|3.476865|3.203819|4.285904|5.764420|3.241647|2.973750|0.079594|3.280193|4.021232|0.087783|2.439315|2.441799|0.065306|2.118421|1.888234|1.695036|1.669741|1.821857|2.067020|2.865570|2.528653|2.148036|1.936506|1.992541|2.286849|2.645485|3.918828|1.902165|3.219650|5.024056|7.437587|7.873400|6.851605|7.915632|13.755860|36.858105| |4.131674|4.216728|3.655598|5.739807|8.155521|4.212911|3.780193|0.099392|4.225887|4.996301|0.110858|2.930889|2.961356|0.078588|2.495348|2.185021|1.927752|1.888252|2.076996|2.407902|3.423869|2.921084|2.423195|2.143747|2.194158|2.545443|3.033032|4.281090|2.047560|3.489049|7.585310|10.096172|13.804581|8.020881|6.952559|8.039248|13.845141|36.858105| |3.730215|4.137677|3.657781|6.024326|8.428713|4.504653|4.352371|0.117974|5.085148|5.503559|0.116370|3.189695|3.260371|0.083701|2.769491|2.369075|2.091754|2.078025|2.332041|2.733995|3.730769|3.025973|2.521984|2.185229|2.184401|2.489311|2.999949|4.086898|1.974980|3.434594|6.820020|9.383124|8.169813|5.306120|4.671865|5.304783|8.145616|14.240377|97.533100| |17.541322|8.767396|6.813627|6.763667|7.564907|4.236425|3.243168|0.087124|2.974965|3.714376|0.084169|2.468932|2.711122|0.078428|2.335394|2.190991|1.932128|1.816216|1.894837|2.135872|2.380469|2.187264|1.903175|1.755362|1.821928|2.068033|2.312658|3.623745|1.778165|3.001352|5.222995|7.319918|5.640153|5.760056|4.808030|4.141895|4.068760|4.632358|8.928218|0.500000| |17.566792|8.815904|6.926241|5.461241|6.384051|4.101129|3.115899|0.084393|2.724128|3.457833|0.077673|2.404755|2.715086|0.081098|2.379173|2.304215|2.033431|1.875428|1.914025|2.133692|2.186533|2.039389|1.806403|1.681211|1.739521|1.945912|2.139825|3.417538|1.699859|2.887535|4.135830|6.253044|3.970279|3.989933|3.413294|3.010060|2.985997|3.364935|6.949149|0.301968|0.500000| |17.552016|8.730945|5.472482|6.730187|9.293774|5.570599|3.849701|0.098878|3.370680|4.343188|0.101754|2.930354|3.272044|0.098702|2.713957|2.559966|2.195390|2.015384|2.086546|2.390489|2.677435|2.487602|2.144705|1.976439|2.063821|2.365955|2.658426|4.134620|2.004106|3.380395|6.210981|9.077617|5.485001|5.445092|4.150827|3.482325|3.474589|4.157573|8.335962|0.300977|0.302744|0.500000| |8.927928|17.522404|8.950508|8.859006|9.311759|6.569366|4.627356|0.130897|3.624150|4.321954|0.094939|3.066652|3.774869|0.112539|3.278829|3.123304|2.676287|2.442525|2.513616|2.871049|2.586005|2.318553|2.046339|1.855066|1.872156|2.074708|2.340411|3.518587|1.746734|3.040750|4.850442|7.140495|4.081500|3.592137|2.991072|2.779508|2.973232|3.570116|8.087037|0.173600|0.214556|0.212648|0.500000| |6.823084|8.758601|17.534537|6.887310|6.231097|3.726577|3.122004|0.090791|2.820283|3.332990|0.071716|2.264349|2.562782|0.071827|2.324649|2.182504|1.974750|1.894871|1.984988|2.195068|2.147139|1.923583|1.709591|1.562019|1.580595|1.745829|1.951258|2.999661|1.503269|2.595518|3.870740|5.555264|4.026535|3.646879|3.348817|3.324330|3.580219|3.964825|8.715354|0.201629|0.170024|0.139160|0.173809|0.500000| |5.476147|8.735952|17.545741|6.987387|6.322730|4.127045|3.550848|0.108875|3.039865|3.503068|0.073817|2.448414|2.891865|0.080666|2.691877|2.541032|2.305004|2.208756|2.305299|2.539862|2.207896|1.955422|1.753593|1.590060|1.587083|1.732515|1.941299|2.937180|1.480492|2.591442|3.650803|5.375060|3.480309|3.049189|2.739595|2.722709|3.000003|3.425861|8.096102|0.139247|0.141207|0.122221|0.213235|0.301274|0.500000| |6.901108|8.792370|17.573645|5.525208|5.546049|3.649710|3.014628|0.087709|2.609888|3.155215|0.067882|2.221921|2.573248|0.074139|2.370781|2.297111|2.083758|1.961397|2.005937|2.193077|2.008189|1.827734|1.644088|1.514615|1.532263|1.678282|1.852623|2.893958|1.461805|2.531528|3.380209|5.074148|3.284020|3.064239|2.769065|2.656798|2.781352|3.089175|6.852632|0.169087|0.208208|0.140989|0.214926|0.302031|0.302110|0.500000| |5.472743|8.828505|7.106096|17.562583|12.529934|7.097695|5.951799|0.186616|4.936662|5.132646|0.108046|3.394689|4.101346|0.109111|3.548308|3.101806|2.682981|2.584701|2.826022|3.325514|3.070226|2.579995|2.238492|1.968023|1.949314|2.163221|2.521040|3.576321|1.763952|3.104707|5.905209|7.998838|5.045030|3.880912|3.266724|3.253594|3.830992|4.948771|12.945321|0.139366|0.123106|0.138549|0.213174|0.173319|0.215137|0.143906|0.500000| |6.806784|8.882533|7.021219|17.691458|12.458045|5.624726|4.496747|0.125717|4.224669|4.719421|0.103646|2.989335|3.340031|0.090831|2.841510|2.527628|2.211063|2.130177|2.307197|2.671899|2.957056|2.539319|2.171538|1.932775|1.954190|2.210561|2.573371|3.722047|1.815920|3.134973|7.276404|8.841012|7.630788|5.504771|4.525795|4.506948|5.423748|7.454541|16.697743|0.201048|0.140002|0.165827|0.174444|0.208209|0.173771|0.142236|0.305120|0.500000| |4.694897|5.057571|3.643878|5.779561|12.585650|17.651824|8.759946|0.174622|6.355905|8.686366|0.220842|6.000567|7.350488|0.240405|4.788036|4.146483|3.202721|2.854821|3.038650|3.804022|4.358423|3.854155|3.185530|2.777260|2.810238|3.240136|3.901126|5.237409|2.479620|4.357686|7.643051|14.598297|4.803112|4.041742|3.132842|2.828095|3.045660|3.864330|8.846336|0.111759|0.110597|0.157445|0.154075|0.091079|0.096825|0.091004|0.143771|0.129060|0.500000| |5.266297|6.883596|4.751752|7.497558|12.531998|17.639035|8.919429|0.225683|5.491712|6.376302|0.139919|4.668858|6.592980|0.202922|5.019609|4.471576|3.500225|3.112622|3.279685|4.033044|3.448461|2.994162|2.595475|2.285275|2.269442|2.522609|2.935440|4.135309|2.026132|3.589880|5.901344|9.343840|4.225010|3.522599|2.851522|2.659260|2.914113|3.645609|8.699148|0.119187|0.125097|0.157968|0.244590|0.110706|0.131033|0.115804|0.203703|0.147585|0.305534|0.500000| |2.728938|3.120882|2.698701|3.966457|6.575518|5.427894|8.793795|0.221775|17.612691|12.429561|0.183347|7.187343|6.805103|0.139586|5.606027|3.987973|3.345925|3.432841|4.315263|6.039844|7.063145|4.618606|3.910888|3.054356|2.797154|3.024126|3.790105|4.558223|2.238880|4.164857|4.555798|8.353527|3.670109|2.948538|2.543079|2.553323|2.977595|3.681813|10.166676|0.072276|0.066845|0.079484|0.087704|0.071460|0.078006|0.066280|0.119787|0.101234|0.132597|0.124465|0.500000| |3.355518|3.799982|3.147463|5.281055|9.827447|6.816831|8.592456|0.196444|17.700520|12.241220|0.229738|5.755035|5.601027|0.129961|4.250419|3.316720|2.779984|2.745627|3.208792|4.122843|6.798636|4.599612|3.616662|2.918279|2.815407|3.212453|4.159810|4.943207|2.351649|4.224600|7.398329|12.869613|5.524299|4.028981|3.319485|3.314885|4.006003|5.465150|15.795603|0.090293|0.079053|0.099015|0.102038|0.084740|0.088281|0.075419|0.149644|0.137856|0.161827|0.141613|0.301857|0.500000| |2.350171|2.559356|2.205397|2.945267|4.888546|4.428870|6.126816|0.142096|6.875942|12.419379|0.181274|17.642489|8.685632|0.178188|7.299982|5.154628|4.099818|3.996358|4.786018|6.759736|7.253627|5.916031|5.634273|4.185131|3.579234|3.646334|4.411218|5.257118|2.633984|5.155059|3.499359|7.046379|2.825783|2.455134|2.126639|2.060359|2.263750|2.668099|6.620049|0.061134|0.059443|0.070418|0.074770|0.057639|0.062541|0.056360|0.084520|0.074367|0.125758|0.107152|0.200865|0.140688|0.500000| |2.571804|2.709603|2.268137|3.033627|5.236246|4.909097|5.793990|0.125885|5.817851|12.252502|0.227485|17.669568|8.577007|0.226162|5.942205|4.861955|3.718936|3.359387|3.659699|4.727556|6.521852|6.501647|5.791378|4.618964|4.219037|4.471330|5.392924|6.400248|3.116471|6.021599|3.850147|8.265672|3.009173|2.678621|2.269579|2.132313|2.286229|2.703850|6.411245|0.066039|0.065135|0.079628|0.079973|0.058947|0.062834|0.058536|0.083473|0.075848|0.157523|0.116907|0.143583|0.128476|0.301800|0.500000| |2.562827|2.854165|2.473444|2.928232|4.468066|4.373187|4.862782|0.129769|3.739957|5.155771|0.101051|5.034911|7.058688|0.235038|8.908809|17.703464|8.940663|5.654079|4.962350|5.654019|3.019095|2.821420|2.715039|2.443548|2.312133|2.376261|2.605435|3.821273|1.974935|3.685879|2.881037|5.322193|2.354733|2.123336|1.845222|1.754605|1.874833|2.167891|5.190357|0.063254|0.067942|0.075778|0.091358|0.061403|0.070881|0.065801|0.084768|0.070290|0.123807|0.131073|0.099346|0.087706|0.128233|0.136598|0.500000| |2.014960|2.244052|2.061497|2.286441|3.301927|2.945728|3.312056|0.095256|2.791891|3.735230|0.071843|3.384870|4.100359|0.116104|5.630965|8.923915|17.726282|8.920198|5.652496|4.962743|2.362224|2.218043|2.212241|2.026702|1.891810|1.894692|2.033059|3.077996|1.632575|3.072116|2.170055|3.929305|1.865220|1.700050|1.521145|1.473383|1.574343|1.773969|4.278367|0.050900|0.054320|0.057778|0.069911|0.051889|0.060282|0.055540|0.067572|0.056611|0.080304|0.087566|0.078668|0.067762|0.095065|0.090505|0.216443|0.500000| |1.793261|2.016833|1.899163|2.120274|3.015451|2.585297|3.050899|0.091245|2.730039|3.535729|0.065996|3.084680|3.535497|0.091605|4.923897|5.642989|8.916304|17.729705|8.904869|5.644942|2.320492|2.126281|2.146499|1.937270|1.773764|1.761398|1.904064|2.835791|1.510151|2.863065|2.002842|3.594271|1.757509|1.585894|1.439058|1.421322|1.538766|1.720087|4.237613|0.046253|0.047838|0.050705|0.060942|0.048659|0.056446|0.050469|0.064040|0.053564|0.068474|0.074479|0.081318|0.066628|0.092122|0.079123|0.124308|0.214672|0.500000| |1.889516|2.151392|2.015471|2.372184|3.411696|2.887170|3.677082|0.113062|3.486984|4.317025|0.077150|3.671163|4.069793|0.096651|5.628307|4.963846|5.654803|8.907561|17.723398|8.937177|2.868788|2.498929|2.501043|2.171067|1.952293|1.950170|2.164082|3.078956|1.619955|3.083888|2.277104|4.079159|1.994996|1.759402|1.595254|1.598397|1.766830|1.993940|5.067457|0.049344|0.049336|0.053379|0.063534|0.052313|0.060290|0.052250|0.073038|0.060453|0.074504|0.079889|0.112171|0.083496|0.116083|0.088505|0.107691|0.124177|0.214625|0.500000| |2.313775|2.664677|2.391005|3.107668|4.737867|4.172342|6.278603|0.190050|6.240620|7.115434|0.117295|6.131788|6.865738|0.139476|8.854297|5.646637|4.960680|5.659266|8.987082|17.696162|4.375330|3.475603|3.307702|2.707289|2.422454|2.484898|2.894828|3.817765|1.950473|3.702475|3.138547|5.697962|2.628236|2.238407|1.979281|1.975345|2.225321|2.607781|6.818984|0.060228|0.058759|0.066439|0.078159|0.062013|0.070780|0.060420|0.096167|0.077924|0.104850|0.108430|0.227204|0.133611|0.201886|0.129582|0.123846|0.107666|0.124520|0.217706|0.500000| |2.239480|2.391440|2.089052|2.846229|4.707626|3.743894|4.722467|0.113578|6.899953|12.406063|0.181880|6.952385|4.790232|0.110482|4.052817|3.197364|2.764759|2.804606|3.330671|4.177602|17.626634|8.841465|7.271896|4.741969|4.011361|4.223211|5.578239|5.846483|2.861083|5.557629|3.670767|7.511943|3.127178|2.685805|2.364416|2.342161|2.619870|3.070114|7.720266|0.060291|0.055908|0.066670|0.066801|0.056291|0.058698|0.052808|0.080389|0.075550|0.104340|0.088020|0.211858|0.166005|0.221408|0.161023|0.082775|0.067242|0.068584|0.088581|0.138179|0.500000| |2.536914|2.654132|2.279186|3.247672|5.576054|4.095295|4.705373|0.110486|7.191026|12.507242|0.226124|5.574635|4.268389|0.103794|3.422233|2.791642|2.401728|2.384462|2.741964|3.367728|17.613710|8.858059|5.790512|4.241020|4.011869|4.714881|6.959243|6.628106|3.064664|5.624514|4.783908|10.298715|4.114067|3.445886|2.975105|2.934584|3.320654|4.005123|9.858496|0.069496|0.062098|0.076387|0.072161|0.062327|0.062865|0.057008|0.088497|0.088463|0.115176|0.092796|0.182565|0.212166|0.147233|0.137395|0.074666|0.059540|0.058940|0.072710|0.107356|0.301255|0.500000| |1.877900|1.951585|1.724991|2.201165|3.536201|2.851732|3.318601|0.081688|3.965021|7.102998|0.124991|5.321462|3.741052|0.093559|3.380519|2.895503|2.573224|2.571281|2.893491|3.374654|7.051987|8.940963|17.713393|8.918930|5.724670|5.005239|5.606151|6.595353|3.445560|7.431501|2.746028|5.656760|2.404326|2.188704|1.962913|1.910713|2.050731|2.308279|5.511107|0.050376|0.048022|0.056226|0.055245|0.046362|0.048106|0.044637|0.061304|0.058402|0.083274|0.070222|0.114048|0.098446|0.173369|0.152221|0.076751|0.064266|0.064200|0.076829|0.101441|0.223171|0.148447|0.500000| |1.655779|1.674119|1.490560|1.826716|2.879421|2.283803|2.477469|0.061839|2.756205|4.681537|0.091467|3.552055|2.773679|0.074227|2.544663|2.334830|2.119185|2.070383|2.212140|2.460243|4.078547|5.594881|8.789037|17.755807|8.938044|5.628807|4.875863|7.767789|4.648153|12.206272|2.256880|4.631084|2.031469|1.930080|1.757857|1.685962|1.753751|1.922778|4.426705|0.044573|0.043022|0.049801|0.047402|0.040200|0.041100|0.039182|0.050031|0.048825|0.068250|0.057680|0.076101|0.071307|0.104204|0.110353|0.064218|0.054884|0.052964|0.058730|0.070590|0.112616|0.097924|0.213448|0.500000| |2.654475|2.590836|2.175678|2.972233|5.179375|3.810305|3.749986|0.086900|4.481754|8.287439|0.208787|4.616000|3.662577|0.099441|2.892506|2.526637|2.158961|2.058643|2.241226|2.659492|6.948470|8.735553|5.590606|4.872863|5.631169|8.959078|17.713995|12.253338|4.659205|7.781315|4.764075|11.911057|4.109982|3.868836|3.240387|2.941545|3.047216|3.552358|7.681549|0.072505|0.065631|0.083736|0.070815|0.059347|0.058122|0.055679|0.076641|0.080576|0.120098|0.087983|0.106909|0.127865|0.112166|0.136137|0.071231|0.055112|0.051389|0.058342|0.078497|0.139988|0.200562|0.123095|0.106212|0.500000| |1.705963|1.637918|1.454783|1.750087|2.736282|2.044530|2.030187|0.050735|2.209467|3.571038|0.077201|2.470294|2.110106|0.059011|1.867259|1.749706|1.580830|1.516641|1.590461|1.762277|2.929180|3.728324|3.734878|4.600603|6.605068|6.603431|4.602753|16.544182|17.632253|16.551573|2.256068|4.652166|2.144528|2.187760|2.037342|1.888599|1.863214|1.976880|4.275033|0.046943|0.044534|0.052009|0.045348|0.039910|0.039064|0.038568|0.046210|0.047957|0.062241|0.051771|0.057941|0.061087|0.065961|0.075401|0.049733|0.041807|0.039163|0.042207|0.050360|0.073662|0.079696|0.086920|0.114756|0.115035|0.500000| |1.790299|1.708224|1.504256|1.798024|2.826852|2.155830|2.110510|0.052393|2.231160|3.640183|0.079815|2.604873|2.243142|0.064218|1.975653|1.880531|1.686433|1.591604|1.647081|1.825999|2.845477|3.603479|3.609438|4.442272|6.360004|6.358551|4.443434|16.565472|17.679419|16.571758|2.300772|4.774497|2.136063|2.183551|1.996768|1.824104|1.797511|1.931428|4.175680|0.048616|0.047069|0.055170|0.047853|0.040877|0.040268|0.040137|0.047301|0.048615|0.066964|0.055004|0.057880|0.060732|0.068364|0.082020|0.054340|0.044907|0.040978|0.043216|0.051360|0.071172|0.075447|0.084286|0.111491|0.111689|0.296973|0.500000| |5.144087|4.123183|3.306906|4.449029|7.020130|4.038783|3.238265|0.080781|3.295396|4.497842|0.108705|2.795660|2.795888|0.080046|2.304754|2.109413|1.836841|1.734478|1.837015|2.108416|3.015614|2.874402|2.390392|2.217992|2.397618|2.891769|3.291365|5.208268|2.419301|3.923077|7.053633|11.470335|8.932777|17.733772|8.916488|5.645627|4.942403|5.687253|9.613936|0.159718|0.117738|0.170845|0.101080|0.094684|0.080817|0.083838|0.099874|0.132047|0.118922|0.099619|0.077957|0.103165|0.068278|0.076967|0.060778|0.047984|0.043960|0.047978|0.060650|0.072531|0.091296|0.060897|0.054808|0.111681|0.063938|0.065166|0.500000| |3.639535|3.086888|2.767404|3.280750|4.617111|2.771585|2.408103|0.062663|2.511360|3.360485|0.076441|2.129307|2.113212|0.059203|1.826384|1.686248|1.511421|1.454120|1.540229|1.725625|2.384354|2.284080|1.965527|1.851536|1.987286|2.321555|2.551804|4.240120|2.048755|3.322102|4.105667|6.706666|5.640165|8.934179|17.741296|8.906323|5.638233|4.995078|8.320685|0.120297|0.089533|0.105398|0.075265|0.083524|0.068701|0.071271|0.078324|0.103345|0.077992|0.071012|0.062498|0.078744|0.054072|0.058199|0.047872|0.039751|0.037423|0.040973|0.049978|0.059418|0.073202|0.050817|0.046589|0.082757|0.055994|0.054996|0.215148|0.500000| |3.011931|2.799781|2.655397|3.120820|4.186666|2.508197|2.289227|0.061225|2.453789|3.158758|0.069167|1.987711|1.975061|0.053875|1.743821|1.592537|1.446792|1.418991|1.522184|1.693822|2.292385|2.126793|1.849875|1.717809|1.796847|2.049249|2.277785|3.631206|1.789003|2.976733|3.559041|5.664158|4.943306|5.648792|8.909308|17.734501|8.945587|5.695443|9.604566|0.098211|0.074289|0.082693|0.067856|0.082670|0.068097|0.067008|0.077907|0.102834|0.067771|0.064448|0.062838|0.078586|0.051611|0.053093|0.044364|0.037837|0.036710|0.041091|0.049826|0.058596|0.071803|0.048765|0.043610|0.071994|0.049391|0.047389|0.124138|0.214670|0.500000| 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