Version2.0 2020-04-22T18:57:55Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(oc1)[C@H]2C[C@H](n3c(cc(n3)C(=O)N4CC[NH+](CC4)C56CC7CC(C5)CC(C7)C6)N2)C(F)(F)F C12374902 RHF 6-31G(d) (6D,7F) c1cc(oc1)[C@H]2C[C@H](n3c(cc(n3)C(=O)N4CC[NH+](CC4)C56CC7CC(C5)CC(C7)C6)N2)C(F)(F)F C01[X(C26H33F3N5O2)] 201 C1 606 O=C(c1nn2c(c1)N[C@H](C[C@H]2C(F)(F)F)c1ccco1)N1CC[NH+](CC1)C12CC3CC(C2)CC(C1)C3 O=C(c1nn2c(c1)N[C@H](C[C@H]2C(F)(F)F)c1ccco1)N1CC[NH+](CC1)C12CC3CC(C2)CC(C1)C3 FC(F)(F)[C@@H]1C[C@@H](Nc2cc(nn12)C(=O)N3CC[NH+](CC3)C45CC6CC(CC(C6)C4)C5)c7occc7 InChIKey=FCDAFKFCRCAGPB-SDCRINRVSA-O InChI=1S/C26H32F3N5O2/c27-26(28,29)22-11-19(21-2-1-7-36-21)30-23-12-20(31-34(22)23)24(35)32-3-5-33(6-4-32)25-13-16-8-17(14-25)10-18(9-16)15-25/h1-2,7,12,16-19,22,30H,3-6,8-11,13-15H2/p+1/t16?,17?,18?,19-,22+,25?/m1/s1 InChI=1/C26H32F3N5O2/c27-26(28,29)22-11-19(21-2-1-7-36-21)30-23-12-20(31-34(22)23)24(35)32-3-5-33(6-4-32)25-13-16-8-17(14-25)10-18(9-16)15-25/h1-2,7,12,16-19,22,30H,3-6,8-11,13-15H2/p+1/t16?,17?,18?,19-,22+,25?/m1/s1/fC26H33F3N5O2/h33H/q+1 c1cc(oc1)[C@H]2C[C@H](n3c(cc(n3)C(=O)N4CC[NH+](CC4)C56CC7CC(C5)CC(C7)C6)N2)C(F)(F)F C01[X(C26H33F3N5O2)] 201 C01 606 O=C(c1nn2c(c1)N[C@H](C[C@H]2C(F)(F)F)c1ccco1)N1CC[NH+](CC1)C12CC3CC(C2)CC(C1)C3 O=C([C@H]1NN2[C@@H](C1)N[C@H](C[C@H]2C(F)(F)F)c1ccco1)N1CC[N@H](CC1)[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3 FC(F)(F)[C@@H]1C[C@@H](N[C@@H]2C[C@H](NN12)C(=O)N3CC[NH](CC3)C45CC6CC(CC(C6)C4)C5)c7occc7 InChIKey=LDXRLCDLVAQURC-NZAZCCDRSA-N InChI=1S/C26H37F3N5O2/c27-26(28,29)22-11-19(21-2-1-7-36-21)30-23-12-20(31-34(22)23)24(35)32-3-5-33(6-4-32)25-13-16-8-17(14-25)10-18(9-16)15-25/h1-2,7,16-20,22-23,30-31,33H,3-6,8-15H2/t16-,17+,18-,19-,20+,22+,23+,25-/m1/s1 InChI=1/C26H37F3N5O2/c27-26(28,29)22-11-19(21-2-1-7-36-21)30-23-12-20(31-34(22)23)24(35)32-3-5-33(6-4-32)25-13-16-8-17(14-25)10-18(9-16)15-25/h1-2,7,16-20,22-23,30-31,33H,3-6,8-15H2/t16-,17+,18-,19-,20+,22+,23+,25-/m1/s1 4103.8260770545 -1723.8884552 1-A 25189.2395 133 473 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.42656 -26.42610 -26.42557 -20.69902 -20.62961 -15.82658 -15.73935 -15.70180 -15.67983 -15.66976 -11.59093 -11.45751 -11.42998 -11.41968 -11.41502 -11.40896 -11.39669 -11.39298 -11.39149 -11.37680 -11.36080 -11.35994 -11.35519 -11.35487 -11.35242 -11.35234 -11.33910 -11.33891 -11.33890 -11.33325 -11.32224 -11.32206 -11.32164 -11.30175 -11.29945 -11.29222 -1.82587 -1.72302 -1.72100 -1.54267 -1.50700 -1.49450 -1.46572 -1.37065 -1.35284 -1.29268 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915.1701 949.1306 959.1246 966.4010 972.1010 975.3254 976.8637 982.8976 988.0680 1019.0715 1020.5175 1020.8485 1030.3187 1033.4104 1043.6587 1057.3332 1070.3746 1073.3733 1075.7931 1105.2715 1111.5008 1124.3339 1129.6322 1135.6062 1141.8467 1143.0627 1147.7744 1162.3138 1165.0869 1167.9713 1204.5396 1211.9560 1219.9398 1223.2462 1234.1595 1237.1814 1237.9346 1256.7833 1269.4583 1283.6926 1301.8772 1309.2193 1325.6915 1327.5834 1334.2315 1339.7975 1350.6388 1352.0077 1366.2246 1375.1308 1389.3809 1402.4745 1410.7919 1432.4552 1438.2009 1439.1727 1445.4191 1450.0451 1452.1451 1457.9833 1460.8500 1479.8561 1484.4532 1487.3529 1488.6185 1492.9059 1500.9717 1512.8994 1513.4243 1514.6577 1527.1463 1527.8235 1530.6828 1538.7816 1541.0263 1546.8638 1548.5766 1557.4537 1560.4676 1575.6171 1577.8561 1587.5966 1596.1285 1614.6407 1629.0703 1633.8226 1634.6207 1635.8816 1639.6154 1645.6257 1646.2957 1647.8153 1651.1588 1655.2142 1675.2799 1678.2017 1704.3720 1719.0391 1771.1376 1818.9475 1958.2401 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2.6800 2.9966 2.8449 2.0615 2.1444 1.7904 1.3121 1.1966 1.2745 1.0790 1.5849 1.8364 2.0361 1.1487 3.9811 1.5804 1.1335 1.8608 1.7706 1.4683 4.8175 2.0083 3.7166 2.3623 1.6140 1.9827 2.2130 1.6629 1.5340 2.1221 1.7314 1.4419 1.7116 1.8399 1.4192 1.3554 1.3978 1.4536 1.4661 1.5021 1.8403 1.3578 1.4805 1.5676 1.3887 1.6295 1.5409 1.3705 1.5726 2.1521 2.2010 1.2739 1.6062 2.0404 1.5029 2.3530 1.1008 1.0954 1.0971 1.1214 1.1511 1.1093 1.1034 1.1070 1.1219 1.1047 1.1043 3.2957 4.3685 8.0711 5.4510 6.1195 12.3941 1.0766 1.0852 1.0709 1.0756 1.0698 1.0649 1.0647 1.0682 1.0639 1.0896 1.0885 1.0961 1.1005 1.0954 1.0872 1.0975 1.1026 1.0617 1.0944 1.0940 1.0646 1.1072 1.0614 1.0922 1.1076 1.1109 1.0908 1.0968 1.0966 1.0998 1.1068 1.0773 1.0780 0.0002 0.0005 0.0004 0.0030 0.0095 0.0074 0.0172 0.0171 0.0192 0.0251 0.0240 0.0282 0.0732 0.0748 0.1086 0.0836 0.0987 0.1138 0.1986 0.3174 0.2739 0.1533 0.3098 0.1407 0.3122 0.3667 0.1963 0.4752 0.3208 0.3446 0.4311 0.3328 0.4669 0.4262 0.3736 0.2482 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6.7611 6.8212 6.8518 6.8227 6.7801 6.8750 6.9390 6.6840 6.9120 6.9148 6.8694 7.2172 6.9192 7.2381 7.4767 7.5425 7.4202 7.6311 7.7037 7.8082 7.9329 8.5880 9.3771 0.4364 1.1599 0.5080 0.8303 4.8026 0.7956 0.5082 2.7012 2.1492 1.3320 2.2622 1.4506 0.6478 0.1756 0.6287 2.2878 0.5946 4.5270 0.6977 4.7068 0.8503 2.3587 3.4790 0.1001 0.3201 2.4717 1.0069 22.2254 3.7835 1.0280 2.7465 8.1775 1.9510 6.5871 8.5017 0.6955 0.3749 11.6110 7.3040 3.0337 31.4968 54.6114 22.8662 7.1610 7.6399 8.7589 8.5162 40.8355 0.2574 0.1874 5.3917 2.0291 17.0874 24.2950 2.2500 23.7470 2.5773 0.5720 1.0119 8.7186 66.7690 8.7753 57.9482 0.0458 3.1429 23.5941 3.6443 14.7732 101.5340 3.9234 23.2028 8.3006 0.5834 1.7257 2.1676 2.2977 3.3267 0.6591 0.3847 3.4775 42.7387 11.9940 4.3850 68.3726 12.7655 75.5243 21.1280 8.5262 28.0823 13.2518 35.3933 0.9337 2.4318 3.3809 22.5002 12.7202 18.5616 32.5723 44.0200 64.8939 11.1018 5.7016 34.1127 38.8288 0.2556 9.0834 17.1832 67.2422 2.6150 12.6980 43.4099 9.9078 65.4457 44.3882 35.7427 194.5031 38.6155 46.6256 54.4395 241.4467 53.1463 146.7268 16.3262 9.8423 75.1138 0.7078 17.9186 1.6382 57.1608 91.6798 0.4268 3.1420 5.6738 57.3858 48.8006 17.8763 9.2337 10.3995 5.9441 4.6033 17.4881 1.8699 0.7628 8.9301 40.4442 22.2939 38.4248 143.2095 89.6421 28.2978 33.6382 0.1356 2.4534 0.3564 9.0410 15.9048 5.1743 12.8294 6.4377 5.6006 22.6732 9.7637 248.1324 21.8643 176.2319 364.7822 0.9821 383.3429 27.3703 32.8768 3.9347 59.7813 41.1233 34.2834 42.6616 11.7677 20.9309 54.4370 82.4322 1.3313 0.7426 0.9394 16.6557 99.0918 3.1284 4.9191 45.1828 27.2932 10.5456 8.8810 5.9803 4.9037 6.1634 3.5329 6.8024 4.1639 0.4619 4.0353 1.0305 21.8172 50.6038 0.4157 0.1191 0.0583 0.7838 1.4576 2.3522 0.2471 2.6372 0.9761 2.7265 0.3051 0.4644 0.7543 0.4024 2.4413 0.5179 0.7290 2.0426 1.8619 2.0000 0.6742 0.6504 1.0451 0.1184 1.2516 1.6042 0.4361 1.0739 1.3373 0.6956 1.0668 0.7296 0.5090 0.5775 2.3118 0.3895 0.7083 0.2969 2.8534 2.6099 1.3673 0.3963 0.6951 1.5649 0.5249 0.7626 0.8991 1.6681 1.8470 1.5465 0.8292 3.3955 7.8820 1.0532 2.2650 8.9638 7.5215 0.8454 13.2638 1.2523 2.2971 5.8500 1.7674 0.3000 1.9437 0.3069 1.9212 2.5455 5.0938 1.3458 2.7580 6.6130 0.9191 0.3614 0.6015 4.6857 5.0998 2.5169 3.2302 2.3270 4.4875 5.0991 21.9332 8.0990 6.6905 7.8922 3.9311 5.1296 3.7195 1.7040 4.6527 1.1313 0.4224 1.2079 10.6535 4.8600 9.2562 8.1519 4.5513 5.5510 4.7344 1.8549 0.8550 0.4483 0.4286 2.7337 2.3926 4.6008 2.6681 2.5072 5.2813 26.0109 7.2085 5.5926 49.2518 8.8005 5.5294 1.9001 32.2496 3.9551 3.2027 8.5333 7.5023 17.0810 2.7262 0.3752 9.9484 0.6360 4.8875 2.3426 0.0411 0.2227 1.4751 5.8086 0.9944 8.5445 1.5237 0.8613 0.4801 2.0963 6.8622 2.7070 1.2517 8.6215 11.4610 23.4828 4.6004 2.1852 11.0201 13.7909 13.8768 2.8808 31.8804 27.0544 8.4216 7.9997 1.1610 1.3778 0.8516 7.2688 4.0178 2.9976 22.1783 123.0780 27.5079 24.2007 43.4611 36.8035 42.1439 53.2352 7.4709 123.0938 51.1120 42.7246 52.9465 100.7376 42.2534 75.8362 50.1044 146.2205 40.9470 148.8476 75.8659 280.0864 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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 67 68 69 6 6 6 8 6 6 1 6 6 1 7 6 6 6 7 6 8 7 6 6 7 1 6 6 6 6 6 6 6 6 6 6 6 6 7 6 9 9 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 18.99840 18.99840 18.99840 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 6969.6301 40035.1750 44416.3839 0.99999 -0.00413 -0.00124 0.00411 0.99990 -0.01368 0.00130 0.01367 0.99991 1 0.01243 0.00216 0.00195 0.25894 0.04508 0.04063 10.24 15.84 20.40 45.65 64.07 70.35 79.43 100.85 112.10 131.59 133.92 160.52 210.03 225.60 285.80 297.53 306.43 317.20 344.88 382.14 410.10 437.61 464.12 476.00 479.66 505.01 525.47 548.98 573.05 595.47 595.57 621.52 630.28 638.34 662.91 685.99 690.50 721.52 735.55 744.44 756.88 780.29 791.63 839.61 874.45 921.76 947.94 984.98 1007.49 1008.62 1012.06 1041.02 1064.35 1079.07 1097.14 1110.22 1112.11 1154.14 1188.79 1203.52 1228.02 1242.38 1252.52 1255.84 1274.84 1286.66 1311.23 1316.73 1365.59 1379.97 1390.44 1398.64 1403.28 1405.49 1414.17 1421.61 1466.22 1468.30 1468.77 1482.40 1486.85 1501.59 1521.27 1540.03 1544.34 1547.83 1590.24 1599.20 1617.67 1625.29 1633.88 1642.86 1644.61 1651.39 1672.31 1676.30 1680.45 1733.06 1743.73 1755.22 1759.98 1775.68 1780.03 1781.11 1808.23 1826.47 1846.95 1873.11 1883.67 1907.37 1910.10 1919.66 1927.67 1943.27 1945.24 1965.69 1978.51 1999.01 2017.85 2029.81 2060.98 2069.25 2070.65 2079.64 2086.29 2089.31 2097.71 2101.84 2129.18 2135.80 2139.97 2141.79 2147.96 2159.56 2176.72 2177.48 2179.25 2197.22 2198.20 2202.31 2213.96 2217.19 2225.59 2228.06 2240.83 2245.16 2266.96 2270.18 2284.20 2296.47 2323.11 2343.87 2350.71 2351.85 2353.67 2359.04 2367.69 2368.65 2370.84 2375.65 2381.48 2410.35 2414.56 2452.21 2473.31 2548.27 2617.06 2817.47 4571.94 4577.25 4591.73 4593.75 4602.28 4616.66 4617.10 4618.85 4638.45 4669.35 4671.61 4675.90 4677.08 4678.07 4680.87 4691.47 4702.38 4703.05 4710.73 4712.40 4761.44 4785.70 4785.91 4825.30 4870.00 4884.26 4888.75 4944.25 4968.14 4994.48 5018.24 5292.31 5528.33 0.631638 0.659183 0.660127 0.568711 -1723.256817 -1723.229272 -1723.228328 -1723.319744 3.066108D-04 MUNgauss RevisionA2.0 retrievium 22-Apr-2020 DUDE c1cc(oc1)[C@H]2C[C@H](n3c(cc(n3)C(=O)N4CC[NH+](CC4)C56CC7CC(C5)CC(C7)C6)N2)C(F)(F)F C12374902 RHF 6-31G(d) (6D,10F) C1 504.258635 |X|Y|Z| 145.270570 56.343526 30.183619 62.747678 31 6 7 8 25 5 1 |36.858105| |13.229962|36.858105| |8.575279|14.207240|36.858105| |8.622565|8.635107|14.148561|73.516695| |14.232814|8.609060|8.788815|25.180411|36.858105| |5.145685|7.357003|12.761142|13.934809|5.336732|36.858105| |4.694965|7.033433|9.123647|10.255115|4.480720|17.489131|0.500000| |4.171853|5.200334|7.597692|11.473768|4.560629|12.439750|0.245933|36.858105| |3.165880|3.828304|4.928520|7.696613|3.360094|7.520930|0.191189|12.407824|36.858105| |2.998205|3.679025|4.464506|6.731923|3.066546|6.495900|0.192072|8.779176|17.573898|0.500000| |2.972821|3.565824|4.546108|7.180479|3.158307|6.907620|0.175108|7.841261|13.172686|0.254970|53.358707| |3.277587|3.973992|5.171256|8.058184|3.489413|7.901816|0.189904|6.834157|7.642426|0.170443|19.229467|36.858105| |2.740838|3.198016|3.870945|6.288013|2.888458|5.106933|0.132794|4.607234|5.296234|0.128656|11.843001|13.880201|36.858105| |2.384251|2.746790|3.259903|5.359267|2.505410|4.245428|0.113688|4.250046|5.469821|0.136013|12.373260|8.744344|13.561414|36.858105| |2.462875|2.864317|3.450963|5.625679|2.594314|4.668728|0.125136|5.142689|7.810912|0.188590|19.293483|8.540926|8.448177|14.641588|53.358707| |2.019322|2.275657|2.605577|4.354599|2.104922|3.195275|0.087307|3.203251|3.936827|0.103064|7.343340|5.242925|7.385600|12.769497|10.650586|36.858105| |1.932253|2.170483|2.435731|4.053446|1.991557|2.916538|0.080912|2.821577|3.316886|0.088710|5.917139|4.520768|6.405462|8.158927|7.537992|15.926767|73.516695| |1.833437|2.036669|2.316948|3.936259|1.920566|2.785172|0.075739|2.910094|3.602980|0.094841|6.203065|4.139196|5.091769|7.736021|8.952793|13.865744|15.105378|53.358707| |1.619371|1.781418|1.984466|3.380116|1.681857|2.321972|0.063943|2.398412|2.870181|0.077544|4.662592|3.198639|3.815257|5.039185|6.095464|7.839615|12.447778|18.008723|36.858105| |1.529555|1.682975|1.859292|3.153598|1.578880|2.167223|0.060384|2.277233|2.750677|0.076270|4.258773|2.826050|3.185334|4.104248|5.462035|5.419795|8.643996|10.672431|12.483553|36.858105| |1.528603|1.671866|1.858754|3.186117|1.591063|2.161367|0.059538|2.340087|2.849986|0.078251|4.273399|2.752616|2.988644|3.823055|5.428796|4.579697|6.935935|9.028205|7.600406|12.619481|53.358707| |1.473209|1.596872|1.774169|3.074592|1.541447|2.039093|0.055647|2.200594|2.623361|0.070945|3.935140|2.586204|2.822281|3.523668|4.880145|4.226014|6.509908|8.255371|7.180487|9.379564|25.690262|0.500000| |1.717895|1.892599|2.143502|3.673964|1.803690|2.547044|0.069362|2.838314|3.607386|0.097036|5.455059|3.338174|3.556763|4.777691|7.320580|5.336568|7.416738|10.699911|6.632129|7.729016|17.156341|0.260042|36.858105| |1.835087|2.020384|2.320538|4.009638|1.946801|2.778090|0.074167|3.042087|3.822615|0.098222|6.265844|3.949190|4.451387|6.350215|8.850456|7.523449|9.426923|17.973908|7.952200|6.653796|10.417727|0.201534|12.530066|36.858105| |1.415317|1.541243|1.693335|2.900920|1.464206|1.942945|0.053977|2.113599|2.535265|0.071078|3.638788|2.346940|2.472518|3.023524|4.393770|3.412454|5.394009|5.939145|4.846641|7.339362|16.682276|0.258487|7.368658|4.874800|36.858105| |1.380636|1.488769|1.638211|2.842630|1.438781|1.859021|0.051068|2.053986|2.428369|0.067164|3.401465|2.191901|2.265024|2.706602|3.986522|2.935571|4.620896|4.974710|3.823655|4.902748|10.360799|0.207563|6.235061|4.368222|12.363994|36.858105| |1.274900|1.368567|1.489027|2.582075|1.320651|1.668562|0.046143|1.834799|2.128464|0.059654|2.921573|1.903002|1.943571|2.261281|3.321473|2.410508|3.889771|3.893095|2.999966|3.738517|6.692059|0.132865|4.247784|3.248241|7.564415|12.372864|36.858105| |1.179268|1.262445|1.363381|2.362354|1.216428|1.516933|0.042103|1.639158|1.876545|0.052658|2.609302|1.732683|1.791475|2.063130|2.955304|2.241267|3.701835|3.587463|2.878561|3.597639|5.951502|0.121701|3.556808|2.867661|6.432557|7.584736|12.431448|36.858105| |1.200207|1.293421|1.394098|2.394661|1.231259|1.560823|0.043667|1.668329|1.923792|0.054456|2.710790|1.805508|1.888210|2.192734|3.109007|2.432371|4.063630|3.902596|3.247118|4.296305|6.673671|0.130113|3.735026|2.998133|7.564574|6.495418|7.637293|12.432104|36.858105| |1.287319|1.393707|1.514462|2.598192|1.325361|1.713691|0.047785|1.828184|2.137038|0.060007|3.081531|2.046986|2.179336|2.592195|3.634819|2.976748|4.923862|4.996342|4.382881|6.435412|10.293738|0.197250|4.879548|3.809465|12.369746|7.611324|6.486154|7.569029|12.370980|36.858105| |1.226525|1.329359|1.426890|2.430006|1.250112|1.602404|0.045281|1.715055|1.987860|0.057275|2.763212|1.825585|1.886978|2.185850|3.147342|2.379606|3.977624|3.724050|3.005272|3.953713|5.924338|0.108805|3.554983|2.827311|6.478687|5.379082|6.489058|7.578990|12.406673|7.622561|36.858105| |1.335113|1.454840|1.572705|2.670978|1.364005|1.784074|0.050415|1.942882|2.294670|0.066612|3.141762|2.027686|2.066698|2.424938|3.599981|2.583936|4.211480|4.067235|3.142035|4.137801|6.645414|0.116482|4.241507|3.188688|7.616869|6.487228|7.596567|6.461467|7.604212|6.502608|12.411275|36.858105| |1.307331|1.412169|1.530187|2.628369|1.344850|1.720862|0.048091|1.899258|2.218523|0.063484|2.990025|1.927792|1.943193|2.255006|3.371150|2.359958|3.814659|3.717429|2.806379|3.506059|5.941390|0.110468|3.993925|3.036878|6.485359|7.611096|12.403899|7.578736|6.492940|5.383644|7.596576|12.405438|36.858105| |1.459064|1.603076|1.753055|2.964541|1.496303|2.024752|0.057108|2.211139|2.687290|0.077702|3.767366|2.390748|2.468468|3.003283|4.501097|3.267373|5.191411|5.352872|4.127745|5.913902|10.144800|0.157027|6.205552|4.223954|12.411524|7.566287|6.437152|5.328922|6.434224|7.578791|7.555805|12.340045|7.571980|36.858105| |4.258716|5.408498|7.865745|11.405870|4.582069|13.063526|0.251011|7.895261|6.579596|0.150904|11.002928|13.931365|7.597651|5.387134|7.379787|3.836396|6.219148|4.351025|2.604836|2.350372|3.142760|0.060901|2.726579|3.112357|2.024317|1.920188|1.699363|1.554484|1.607522|1.790887|1.630383|1.799642|1.727517|2.070139|53.358707| |2.706272|3.087082|3.804473|6.453050|2.928668|4.935766|0.125094|7.580651|12.487368|0.251427|10.587188|5.236228|4.200237|4.650684|8.940113|3.631252|5.356576|4.880117|2.876621|2.822577|4.194183|0.079196|4.053520|4.132586|2.770480|2.747755|2.385273|2.049195|2.057997|2.277434|2.113816|2.488539|2.476902|2.911689|6.241793|36.858105| |2.634209|2.911893|3.618159|6.504156|2.939826|4.479899|0.108494|6.371250|8.060405|0.163403|9.360778|5.128421|4.264494|4.662807|8.314289|3.681126|5.382778|5.024590|2.927567|2.794414|4.202701|0.081654|4.087562|4.439113|2.716100|2.749860|2.352036|2.027464|2.013477|2.246047|2.021000|2.341836|2.367294|2.735142|6.118543|14.446844|97.533100| |2.308890|2.614777|3.089010|5.197705|2.447631|3.889293|0.104125|5.165348|8.029013|0.210281|8.765228|4.442012|3.882714|4.642807|9.165040|3.842079|5.578598|5.442248|3.217154|3.285239|5.055419|0.092691|5.143951|4.782848|3.362734|3.318127|2.827188|2.368871|2.384370|2.657412|2.472402|3.007432|2.982504|3.624316|5.105077|14.388990|20.108413|97.533100| |2.744557|3.079828|3.705637|6.376391|2.963230|4.480954|0.115091|6.938406|8.185686|0.200996|7.230674|4.078265|3.331521|3.537327|6.195948|2.905077|4.443837|3.928893|2.419301|2.415062|3.593783|0.068511|3.309900|3.269420|2.465921|2.495514|2.235422|1.920523|1.906443|2.060112|1.974301|2.321305|2.350552|2.619062|5.292893|14.421061|20.063688|20.188380|97.533100| |17.809145|8.439321|5.844325|10.446499|8.828898|4.038125|0.106624|3.406554|2.706612|0.072345|3.481752|2.789024|2.400567|2.115356|2.956328|1.825330|3.131321|2.270046|1.490130|1.413530|1.919492|0.037829|1.568939|1.665115|1.314276|1.283389|1.192797|1.108421|1.127717|1.203490|1.153208|1.249053|1.223738|1.355154|4.727245|2.363139|5.177535|4.625961|5.426092|0.500000| |8.443303|17.790075|8.825308|10.453497|5.858135|6.372085|0.196417|4.601788|3.615361|0.100545|4.609331|3.727925|3.066606|2.663113|3.771508|2.230555|3.819415|2.710035|1.755683|1.668953|2.239756|0.043448|1.848155|1.954178|1.524809|1.462610|1.350675|1.250352|1.287959|1.384259|1.331756|1.454772|1.402180|1.598880|6.558439|2.899373|6.032662|5.660996|6.496221|0.193020|0.500000| |8.619251|5.819412|6.041384|16.502177|17.838749|4.272531|0.101098|3.896899|2.989889|0.075511|3.856835|3.093574|2.631025|2.311549|3.241365|1.971294|3.317620|2.474628|1.601464|1.502938|2.071572|0.041227|1.718253|1.856274|1.403431|1.389032|1.277341|1.178013|1.186400|1.274265|1.198829|1.303973|1.293722|1.424269|5.283728|2.705914|6.255019|5.133638|6.195448|0.195151|0.123143|0.500000| |4.242461|5.245011|6.958608|10.507841|4.494787|8.847921|0.213467|17.627646|8.874107|0.221254|7.759573|5.001222|3.695127|3.507282|5.710439|2.773485|4.407377|3.501346|2.171490|2.101889|2.957421|0.056704|2.596905|2.698813|2.005123|1.962907|1.780330|1.588228|1.609711|1.741084|1.668508|1.895419|1.862655|2.122523|7.726615|6.675561|12.100101|10.780084|16.566854|0.097410|0.131287|0.106651|0.500000| |4.131561|4.760669|6.971107|12.775804|4.863949|8.919439|0.174435|17.601170|8.824138|0.173950|9.185301|6.223172|4.399318|4.037860|6.448057|3.091754|4.825133|3.878742|2.347321|2.207997|3.122324|0.060763|2.787716|3.042161|2.062558|2.033818|1.810120|1.615659|1.629428|1.786862|1.656432|1.867867|1.849127|2.118352|9.823527|7.237124|16.343150|10.905029|15.120109|0.093560|0.112771|0.119538|0.301924|0.500000| |2.655362|3.044912|3.576780|5.894931|2.781834|4.402137|0.115619|3.835947|4.138441|0.103588|8.024406|8.651633|17.836347|8.545824|7.904663|6.430765|11.390821|6.132908|3.577787|2.942514|3.694062|0.072252|3.105999|3.852256|2.263587|2.075532|1.797083|1.679016|1.773276|2.039686|1.761731|1.899111|1.785744|2.238562|8.744857|3.418905|7.906640|7.182738|6.365452|0.065300|0.081424|0.070947|0.088308|0.103670|0.500000| |1.541384|1.676108|1.863198|3.216746|1.610119|2.145504|0.058468|2.219222|2.596361|0.069311|4.151729|2.895829|3.419211|4.285435|5.210695|6.112354|10.071890|12.418020|17.493466|8.830519|9.246312|0.208745|5.766136|7.108641|4.513363|3.759889|2.946388|2.868907|3.165753|4.251863|2.831058|2.903989|2.671106|3.668385|3.278075|2.642931|6.199585|6.544809|5.068640|0.039523|0.045636|0.042935|0.055993|0.061260|0.091018|0.500000| |1.603089|1.768202|1.952355|3.300545|1.651702|2.274155|0.063273|2.295032|2.704417|0.073839|4.413772|3.123627|3.801937|4.822241|5.603466|7.662118|14.857019|12.532275|17.676825|8.925983|7.563733|0.145299|4.968280|5.730279|4.036896|3.223879|2.646004|2.590800|2.959672|3.851476|2.791525|2.858892|2.523508|3.631571|3.490770|2.632196|5.953320|6.492501|5.037656|0.041110|0.048739|0.043560|0.057831|0.061908|0.102136|0.302601|0.500000| |1.411666|1.542430|1.687157|2.872375|1.452682|1.936682|0.054063|2.018404|2.382046|0.066266|3.627183|2.456026|2.750133|3.385286|4.464722|4.334823|7.355013|7.727985|8.887708|17.706825|12.287349|0.225210|5.620488|4.993727|6.879997|4.654470|3.712548|3.800585|4.761205|7.531884|4.175829|4.054578|3.412669|5.373913|2.842388|2.439447|5.452316|6.277702|4.800091|0.036464|0.042592|0.038566|0.052220|0.054555|0.072123|0.216835|0.212880|0.500000| |1.576662|1.751404|1.928938|3.229388|1.614832|2.269299|0.064169|2.377017|2.911467|0.082654|4.486859|2.939612|3.277679|4.247688|5.787235|5.426077|8.734065|9.543832|8.830184|17.653383|12.350563|0.182242|7.011547|5.814895|6.708272|4.472237|3.576955|3.402552|4.130710|5.744709|4.101501|4.410780|3.557628|6.550497|3.315607|2.933003|6.334422|7.777912|5.644094|0.040451|0.048615|0.042411|0.061193|0.062963|0.083165|0.173333|0.215719|0.300443|0.500000| |1.687648|1.842618|2.087684|3.622002|1.783123|2.450143|0.066097|2.789944|3.492931|0.093041|5.039483|3.077890|3.174026|4.050543|6.338094|4.254284|6.117209|7.719212|4.960454|5.617749|12.269840|0.223517|17.702928|8.863692|6.950250|7.250770|4.723538|3.727214|3.687008|4.572013|3.480312|4.246892|4.319997|5.797652|3.510674|4.155685|9.653292|12.043312|7.806492|0.042864|0.049700|0.047489|0.071747|0.077263|0.077477|0.129320|0.109115|0.126185|0.143337|0.500000| |1.796228|2.004463|2.269795|3.824871|1.870164|2.743083|0.075927|3.073487|4.056840|0.112863|6.062289|3.573773|3.729250|5.090075|8.363557|5.407188|7.519839|9.703599|5.868648|7.036104|12.291138|0.181722|17.683492|8.902586|6.660478|5.389457|3.993541|3.345865|3.593505|4.511990|3.628544|4.497657|4.047505|6.872729|3.935398|4.482564|9.511355|13.578216|8.123785|0.045465|0.054776|0.049037|0.078418|0.081715|0.088736|0.134219|0.131622|0.143230|0.210550|0.300413|0.500000| |2.020908|2.234586|2.619151|4.546767|2.167743|3.194852|0.083573|3.598786|4.654479|0.114222|7.832930|4.701453|5.104040|7.371348|11.352713|7.090598|8.774448|12.396459|5.711898|4.957125|7.608922|0.147129|8.993644|17.745632|4.062915|3.823672|2.956198|2.579436|2.649204|3.219183|2.552336|2.914815|2.826405|3.735054|4.913276|5.173331|13.147584|13.141043|8.713149|0.050436|0.059416|0.057249|0.086686|0.101274|0.117270|0.144737|0.127643|0.109328|0.129524|0.215783|0.215812|0.500000| |1.727154|1.873974|2.138399|3.756319|1.842498|2.497474|0.066132|2.713772|3.260703|0.083379|5.197405|3.428212|3.858564|5.024966|6.695499|5.952736|8.214736|12.498618|7.216446|5.882749|9.443143|0.215309|8.849393|17.477690|4.578811|4.330421|3.207815|2.873820|2.944115|3.737070|2.689438|2.956502|2.888388|3.761214|3.810273|3.555460|8.895347|8.923072|6.562441|0.043758|0.050129|0.049322|0.067455|0.076887|0.096651|0.215275|0.146019|0.132488|0.134968|0.213700|0.173992|0.302362|0.500000| |1.467523|1.584699|1.756815|3.055432|1.536731|2.004837|0.054765|2.257249|2.700711|0.074249|3.724523|2.353928|2.394343|2.873900|4.357585|3.024324|4.664696|5.088961|3.685284|4.498704|9.388905|0.181972|6.975280|4.707497|8.736343|17.596981|8.892084|5.535866|4.861618|5.504747|4.458849|5.740102|6.995916|6.881456|2.800602|3.159576|7.125736|8.824895|6.439181|0.037734|0.043060|0.041188|0.059955|0.062290|0.060176|0.099394|0.086082|0.113107|0.117153|0.263801|0.168051|0.118718|0.126888|0.500000| |1.342140|1.438089|1.583056|2.769035|1.404800|1.783867|0.048652|1.958131|2.282416|0.062262|3.234588|2.117533|2.209582|2.618179|3.772005|2.873892|4.552833|4.907791|3.841167|4.691878|9.594593|0.228165|5.668706|4.338202|8.777601|17.496360|8.785428|6.925784|5.745683|6.942697|4.456028|4.850651|5.513214|5.495373|2.532563|2.569265|5.932849|6.783983|5.244559|0.034694|0.039093|0.037861|0.051710|0.054431|0.056787|0.110085|0.089288|0.127279|0.113248|0.181832|0.129313|0.104215|0.127237|0.302145|0.500000| |1.248493|1.331759|1.448489|2.530246|1.298042|1.610689|0.044288|1.780273|2.041027|0.056786|2.774016|1.813219|1.837442|2.111499|3.105280|2.218563|3.581125|3.538351|2.677206|3.190819|5.589516|0.114693|3.758273|2.987229|5.522900|8.896052|17.566299|8.818941|5.531174|4.865430|4.851989|5.515271|8.814602|4.846447|2.224185|2.313335|5.190152|6.087489|4.946397|0.032490|0.036375|0.035034|0.048188|0.049180|0.047293|0.074063|0.065917|0.087498|0.084462|0.119670|0.097426|0.077105|0.083311|0.217877|0.214213|0.500000| |1.121697|1.197291|1.285702|2.228501|1.153812|1.420703|0.039525|1.532004|1.736686|0.048942|2.392394|1.596208|1.639165|1.863718|2.670926|2.000653|3.331243|3.134978|2.485372|3.022120|4.801064|0.097446|2.999892|2.480089|4.824807|5.505562|8.814466|17.551869|8.817217|5.499986|6.909270|5.712568|6.905097|4.422019|1.968105|1.889486|4.186889|4.866489|4.038010|0.029390|0.033003|0.031077|0.041522|0.041909|0.042825|0.068630|0.063233|0.088327|0.081053|0.087289|0.080020|0.063082|0.068803|0.123834|0.141423|0.211894|0.500000| |1.152363|1.228157|1.327609|2.313510|1.192799|1.471046|0.040606|1.584407|1.800662|0.050036|2.522535|1.689495|1.757406|2.015093|2.853070|2.204046|3.652522|3.544327|2.871363|3.492397|5.752984|0.124475|3.419591|2.843016|5.673420|6.896058|8.794400|17.524578|8.793447|6.875038|5.499176|4.834121|5.499161|4.414800|2.065793|1.964854|4.440143|5.044891|4.132428|0.030103|0.033681|0.032202|0.042468|0.043689|0.046021|0.081686|0.071520|0.103941|0.088980|0.099905|0.086915|0.070665|0.081284|0.141755|0.207184|0.212915|0.303401|0.500000| |1.134378|1.218568|1.306704|2.246880|1.161205|1.453211|0.040694|1.538679|1.754165|0.049590|2.481160|1.674341|1.759040|2.017958|2.820669|2.248339|3.822150|3.551278|2.994484|3.825080|5.572702|0.111720|3.183166|2.669751|5.524389|4.873407|5.531484|8.820554|17.565902|8.899965|8.815638|5.518625|4.852816|4.844103|2.041910|1.855414|4.100591|4.755933|3.883072|0.029708|0.033759|0.031132|0.041261|0.041797|0.046342|0.082223|0.077555|0.121925|0.101728|0.086465|0.085086|0.065854|0.073626|0.107171|0.128741|0.123528|0.211930|0.212995|0.500000| |1.255284|1.351300|1.469750|2.539731|1.297754|1.653434|0.045774|1.757856|2.033431|0.056386|2.954204|1.985712|2.130635|2.515326|3.468945|2.917019|4.853429|4.936429|4.429365|6.023040|9.553635|0.214750|4.585206|3.786941|8.769568|6.917074|5.711687|6.879166|8.772828|17.498988|5.515388|4.850734|4.445849|5.498173|2.370797|2.168772|4.902237|5.599733|4.411539|0.032623|0.037133|0.034808|0.046315|0.048160|0.055873|0.127037|0.107099|0.203996|0.138866|0.121147|0.112503|0.088106|0.108060|0.141057|0.207863|0.127960|0.140803|0.205217|0.214541|0.500000| |1.290757|1.403194|1.519198|2.589080|1.321999|1.722639|0.048379|1.815498|2.121533|0.060000|3.091142|2.070772|2.227271|2.649367|3.658700|3.100214|5.241033|5.121696|4.678735|7.176520|9.286846|0.169756|4.532524|3.682014|8.752399|5.507963|4.866100|5.534502|8.911349|17.598457|7.049091|5.786037|4.477614|6.927407|2.459445|2.213214|4.869391|5.762835|4.488106|0.033550|0.038903|0.035188|0.047936|0.048947|0.058231|0.122013|0.118762|0.261966|0.186128|0.112633|0.121087|0.086399|0.098385|0.122662|0.141270|0.107176|0.123917|0.141363|0.217872|0.301889|0.500000| |1.162954|1.255040|1.339629|2.286272|1.183061|1.491598|0.042171|1.594753|1.825661|0.052658|2.511779|1.669398|1.712772|1.954452|2.813036|2.099024|3.531502|3.226702|2.566985|3.227846|4.787420|0.090350|2.999515|2.453823|4.846223|4.454524|5.737593|6.915180|8.809498|5.521068|17.551941|8.816976|6.928450|5.494992|2.052086|1.941099|4.176392|5.046294|4.138925|0.030487|0.034962|0.031583|0.043405|0.042850|0.044616|0.067945|0.066979|0.094264|0.092554|0.083022|0.084977|0.062570|0.065401|0.106366|0.106114|0.127833|0.207258|0.141283|0.211751|0.123179|0.143374|0.500000| |1.230278|1.338499|1.431829|2.424068|1.248046|1.610879|0.045821|1.705756|1.976782|0.057314|2.772103|1.843686|1.919093|2.221180|3.164891|2.442431|4.141239|3.775928|3.095211|4.104908|5.705167|0.103307|3.413101|2.774305|5.720346|4.449003|4.847683|5.501652|8.787515|6.941918|17.525130|8.784084|5.505388|6.882996|2.237139|2.063412|4.413896|5.390368|4.314680|0.032159|0.037421|0.033146|0.046003|0.045491|0.049971|0.079735|0.081689|0.122835|0.122432|0.089837|0.098550|0.069384|0.072602|0.105920|0.106076|0.106697|0.141320|0.123003|0.213309|0.141712|0.211920|0.303515|0.500000| |1.348283|1.474508|1.585421|2.674714|1.369143|1.797571|0.051252|1.955601|2.305607|0.068057|3.111884|2.005110|2.021678|2.348163|3.513594|2.457546|4.030552|3.761364|2.850081|3.627157|5.531680|0.097357|3.741193|2.903077|5.546976|4.867037|5.516057|4.843114|5.518722|4.876395|8.819517|17.567209|8.819268|8.888038|2.439462|2.475844|5.143321|6.713733|5.262760|0.035093|0.041181|0.036236|0.053491|0.051744|0.051540|0.072491|0.073469|0.097649|0.110957|0.103231|0.114380|0.075338|0.073950|0.128514|0.106949|0.123409|0.127625|0.106546|0.123434|0.106994|0.129439|0.212604|0.212637|0.500000| |1.381483|1.494759|1.626991|2.795559|1.424657|1.836552|0.051212|2.058577|2.423464|0.069493|3.205738|2.037023|2.024450|2.350764|3.590302|2.406597|3.841582|3.764555|2.749945|3.349299|5.732274|0.105793|4.166055|3.142009|5.729359|6.928411|8.785989|5.501320|4.850656|4.453786|5.506028|8.783170|17.525251|6.906288|2.486836|2.768172|5.890602|7.654895|5.965576|0.035814|0.041126|0.038029|0.056377|0.055638|0.051214|0.072267|0.068414|0.087819|0.095264|0.129700|0.119714|0.083134|0.081982|0.209864|0.141377|0.213184|0.141229|0.122998|0.106727|0.105887|0.106349|0.141475|0.122980|0.212686|0.500000| |1.232283|1.325165|1.425421|2.451890|1.263733|1.587308|0.044450|1.742114|2.002497|0.057443|2.681304|1.747744|1.755151|2.004204|2.972009|2.085308|3.414329|3.222308|2.437879|2.966659|4.796363|0.091305|3.253578|2.589227|4.848726|5.517622|8.812133|6.912993|5.737607|4.455852|6.927437|8.814837|17.551860|5.501309|2.156980|2.215806|4.766232|5.871418|4.809970|0.032190|0.036626|0.033842|0.047815|0.047146|0.045128|0.064975|0.061937|0.081633|0.083778|0.096687|0.091721|0.067702|0.069070|0.142699|0.123228|0.211942|0.207040|0.141253|0.127777|0.105862|0.106725|0.207894|0.141457|0.212626|0.303516|0.500000| |1.470949|1.626030|1.770394|2.966438|1.498483|2.053054|0.058530|2.204357|2.679887|0.078423|3.818591|2.446964|2.556979|3.120164|4.593991|3.460654|5.603560|5.554195|4.396429|6.515665|9.242079|0.142393|5.601301|4.086595|8.769070|5.488490|4.826139|4.419454|5.681911|6.886022|6.897767|8.797391|5.506618|17.549259|2.870167|2.805118|5.873405|7.710863|5.641668|0.037980|0.045351|0.039444|0.058588|0.058082|0.064672|0.104692|0.111086|0.165220|0.228040|0.135595|0.180229|0.099973|0.099510|0.140454|0.122790|0.106634|0.105484|0.105227|0.127688|0.140923|0.206750|0.141286|0.206402|0.215175|0.141352|0.123254|0.500000| |1.565979|1.729386|1.905740|3.214150|1.610022|2.224931|0.062691|2.478706|3.085130|0.089872|4.240697|2.615267|2.648320|3.251895|5.085985|3.406657|5.277173|5.517159|3.968915|5.273808|9.247758|0.144675|6.955746|4.534028|8.767369|6.887298|5.706689|4.430624|4.832688|5.494302|5.509978|8.831470|6.950412|17.572407|3.065745|3.426663|7.081578|10.079076|6.884461|0.040201|0.047797|0.042436|0.066214|0.065612|0.065588|0.097286|0.096401|0.126286|0.163736|0.187485|0.237854|0.115453|0.108566|0.205493|0.140758|0.128195|0.105747|0.105427|0.106714|0.122775|0.140951|0.123424|0.141116|0.215816|0.208600|0.142072|0.302200|0.500000| 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