Version2.4 2021-06-12T02:46:22Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1C)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c[nH]c5c4cc(cc5)OC C39599293 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1C)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c[nH]c5c4cc(cc5)OC C01[X(C29H37N4O3)] 213 C1 614 COc1ccc2c(c1)c(CCNC(=O)[C@@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(c(c1)C)C)c[nH]2 COc1ccc2c(c1)c(CCNC(=O)[C@@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(c(c1)C)C)c[nH]2 COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(C)c(C)c5)c2c1 InChIKey=REHHIWPUPVONHC-VWLOTQADSA-O InChI=1S/C29H36N4O3/c1-19-4-5-21(14-20(19)2)28(35)33-17-25(29(18-33)9-12-30-13-10-29)27(34)31-11-8-22-16-32-26-7-6-23(36-3)15-24(22)26/h4-7,14-16,25,30,32H,8-13,17-18H2,1-3H3,(H,31,34)/p+1/t25-/m0/s1 InChI=1/C29H36N4O3/c1-19-4-5-21(14-20(19)2)28(35)33-17-25(29(18-33)9-12-30-13-10-29)27(34)31-11-8-22-16-32-26-7-6-23(36-3)15-24(22)26/h4-7,14-16,25,30,32H,8-13,17-18H2,1-3H3,(H,31,34)/p+1/t25-/m0/s1/fC29H37N4O3/h30-31H/q+1 Cc1ccc(cc1C)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c[nH]c5c4cc(cc5)OC C01[X(C29H37N4O3)] 213 C01 614 COc1ccc2c(c1)c(CCNC(=O)[C@@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(c(c1)C)C)c[nH]2 CO[C]1[CH][CH][C]2[C]([CH]1)[C](=CN2)CC[NH][C](=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][C]([C]([CH]1)C)C CO[C]1[CH][CH][C]2NC=C(CCNC(=O)[C@@H]3CN(CC34CC[NH2]CC4)C(=O)[C]5[CH][CH][C](C)[C](C)[CH]5)[C]2[CH]1 InChIKey=CEFSQWXTOMGJEK-VWLOTQADSA-N InChI=1S/C29H37N4O3/c1-19-4-5-21(14-20(19)2)28(35)33-17-25(29(18-33)9-12-30-13-10-29)27(34)31-11-8-22-16-32-26-7-6-23(36-3)15-24(22)26/h4-7,14-16,25,32H,8-13,17-18,30H2,1-3H3,(H,31,34)/t25-/m0/s1 InChI=1/C29H37N4O3/c1-19-4-5-21(14-20(19)2)28(35)33-17-25(29(18-33)9-12-30-13-10-29)27(34)31-11-8-22-16-32-26-7-6-23(36-3)15-24(22)26/h4-7,14-16,25,32H,8-13,17-18,30H2,1-3H3,(H,31,34)/t25-/m0/s1/f/h31H 3709.7294132810 -1561.945314 1-A 30992.4025 131 483 614 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.63359 -20.61889 -20.61569 -15.85325 -15.67885 -15.67609 -15.65946 -11.44169 -11.44142 -11.44082 -11.43547 -11.37651 -11.37084 -11.36844 -11.36757 -11.35813 -11.35603 -11.34222 -11.33640 -11.32903 -11.32846 -11.31700 -11.31481 -11.31398 -11.31335 -11.31002 -11.30797 -11.30753 -11.30086 -11.29098 -11.28679 -11.28673 -11.28491 -11.28106 -11.28069 -11.27644 -1.48812 -1.48606 -1.48469 -1.46077 -1.36051 -1.35832 -1.32729 -1.24853 -1.23753 -1.20201 -1.19103 -1.16124 -1.14747 -1.13758 -1.11132 -1.09449 -1.08592 -1.06755 -1.04147 -1.04018 -1.02968 -1.02298 -0.99991 -0.98974 -0.98392 -0.95348 -0.93234 -0.90911 -0.90519 -0.89454 -0.88931 -0.88554 -0.85834 -0.85051 -0.84096 -0.82026 -0.81243 -0.80656 -0.79136 -0.78692 -0.76850 -0.75861 -0.75430 -0.75058 -0.73942 -0.73264 -0.72932 -0.72714 -0.72542 -0.71596 -0.71014 -0.70559 -0.70043 -0.69621 -0.69320 -0.68638 -0.67295 -0.66831 -0.66535 -0.66054 -0.65715 -0.65464 -0.64807 -0.64340 -0.63971 -0.63383 -0.63192 -0.62302 -0.62004 -0.61942 -0.60983 -0.60890 -0.60778 -0.60135 -0.60052 -0.59702 -0.58738 -0.58086 -0.57382 -0.56484 -0.56442 -0.55553 -0.55415 -0.55327 -0.52609 -0.51577 -0.50552 -0.49299 -0.47985 -0.46699 -0.43569 -0.40536 -0.39718 -0.34528 -0.33498 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.02037 0.02930 0.06972 0.07052 0.07302 0.09579 0.10845 0.11900 0.12896 0.13173 0.13444 0.14466 0.15068 0.15507 0.15731 0.16849 0.17191 0.17359 0.17484 0.17905 0.18235 0.18931 0.19409 0.19803 0.20053 0.20460 0.21024 0.21307 0.21808 0.22268 0.22375 0.22790 0.23163 0.23962 0.24502 0.25062 0.25512 0.25821 0.25955 0.26342 0.26511 0.26955 0.27366 0.27717 0.27867 0.27954 0.28755 0.28952 0.29187 0.29776 0.30245 0.30997 0.31411 0.32045 0.33254 0.33727 0.34117 0.35280 0.35544 0.36733 0.36879 0.37055 0.37562 0.39035 0.40837 0.41768 0.42206 0.42808 0.43008 0.43244 0.44632 0.45670 0.46573 0.46690 0.47710 0.48274 0.51501 0.52233 0.53931 0.55228 0.55604 0.56406 0.57780 0.59483 0.60001 0.60282 0.61310 0.61726 0.62979 0.63658 0.65048 0.65494 0.66028 0.66255 0.66362 0.67246 0.67915 0.68001 0.68407 0.68861 0.69109 0.69402 0.69728 0.69945 0.70638 0.71321 0.71528 0.71952 0.72572 0.72890 0.74330 0.74373 0.75331 0.76130 0.76395 0.76757 0.76834 0.77804 0.78023 0.78188 0.78735 0.79025 0.79377 0.79821 0.81020 0.81373 0.81953 0.82053 0.82381 0.82707 0.83889 0.83946 0.84789 0.85290 0.85653 0.86682 0.87229 0.87534 0.88345 0.88902 0.89989 0.91172 0.91560 0.92182 0.92860 0.93125 0.93446 0.93852 0.94248 0.94513 0.95073 0.95490 0.95766 0.96441 0.96626 0.96963 0.97397 0.97931 0.98389 0.99412 0.99574 1.00258 1.00786 1.01172 1.01591 1.01995 1.02408 1.02794 1.03134 1.03887 1.04103 1.04697 1.05658 1.05951 1.06294 1.06414 1.06557 1.06852 1.07514 1.07876 1.07967 1.08214 1.08990 1.09264 1.09643 1.09914 1.10718 1.11015 1.11496 1.12012 1.12657 1.12867 1.13022 1.13866 1.14044 1.14760 1.14921 1.15260 1.15513 1.15708 1.16432 1.16876 1.17621 1.18129 1.18847 1.19381 1.20183 1.20340 1.20493 1.21742 1.22132 1.22998 1.25264 1.25769 1.27104 1.28152 1.29517 1.29752 1.30280 1.30882 1.31531 1.31745 1.32701 1.33899 1.34637 1.34953 1.35639 1.36393 1.38440 1.38688 1.39782 1.40697 1.41347 1.42242 1.42853 1.43130 1.43875 1.44629 1.46161 1.46842 1.47623 1.48390 1.49031 1.50424 1.51740 1.53229 1.54994 1.55681 1.56438 1.56679 1.57080 1.58841 1.59507 1.60046 1.61275 1.61758 1.62036 1.63053 1.64117 1.65809 1.66089 1.66521 1.67629 1.68647 1.68892 1.70192 1.70389 1.70936 1.71282 1.71695 1.73229 1.75158 1.75624 1.76395 1.78202 1.79649 1.82491 1.84264 1.84926 1.85802 1.86261 1.87471 1.88232 1.88743 1.92079 1.92113 1.94470 1.97368 1.97419 1.98236 1.98511 1.99715 2.00440 2.01561 2.01900 2.02688 2.02828 2.04193 2.04945 2.05607 2.05948 2.07613 2.07846 2.08143 2.08423 2.09776 2.10070 2.10328 2.10974 2.11960 2.12119 2.12875 2.13594 2.14416 2.14598 2.15176 2.15888 2.16431 2.17258 2.17765 2.19078 2.19343 2.19404 2.20456 2.21147 2.22419 2.22946 2.23510 2.24721 2.25047 2.25711 2.26337 2.28281 2.28594 2.29084 2.29592 2.29956 2.30475 2.31250 2.31486 2.32847 2.33699 2.34398 2.35212 2.35984 2.36735 2.38910 2.39639 2.40322 2.40400 2.41792 2.42047 2.43025 2.43195 2.43767 2.44339 2.45227 2.48126 2.48272 2.50236 2.50791 2.51133 2.51451 2.51960 2.52608 2.54369 2.55187 2.55562 2.56161 2.56773 2.57323 2.57420 2.58641 2.59002 2.59730 2.59819 2.60268 2.60924 2.62102 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1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 9368.5118 47896.0902 55006.2187 0.99996 0.00781 -0.00400 -0.00780 0.99997 0.00268 0.00402 -0.00265 0.99999 1 0.00925 0.00181 0.00157 0.19264 0.03768 0.03281 5.52 10.78 28.92 30.93 49.18 59.28 76.11 77.11 90.49 105.15 142.18 168.84 182.53 184.19 201.97 220.68 221.96 241.43 257.45 268.07 270.46 294.32 320.69 334.82 377.10 383.43 404.05 411.35 420.48 439.93 464.22 480.24 486.73 496.53 533.20 552.31 565.08 589.64 599.74 615.03 661.64 678.32 689.10 696.75 705.06 711.83 715.48 738.26 765.82 820.88 826.88 847.02 860.15 937.73 945.83 963.44 987.43 1022.77 1035.39 1097.64 1116.95 1126.32 1158.16 1168.76 1183.82 1189.96 1210.75 1218.46 1225.73 1241.56 1259.84 1279.15 1287.10 1309.72 1342.97 1353.92 1364.64 1373.93 1389.70 1401.26 1403.04 1443.56 1464.62 1484.19 1506.15 1521.16 1529.56 1544.09 1558.62 1570.33 1578.75 1588.32 1601.64 1615.97 1628.95 1637.58 1648.93 1666.45 1670.95 1673.90 1691.50 1701.81 1722.22 1734.70 1740.24 1770.90 1781.74 1797.38 1802.30 1848.44 1859.78 1869.09 1870.41 1894.31 1902.95 1906.05 1911.31 1915.86 1930.58 1935.58 1938.65 1952.82 1987.65 1991.36 2001.30 2017.60 2044.35 2058.74 2070.39 2071.53 2082.17 2084.11 2094.25 2113.40 2147.32 2161.22 2171.43 2204.33 2217.91 2219.95 2229.73 2234.73 2249.77 2252.35 2255.23 2264.99 2273.65 2276.69 2280.80 2335.58 2337.02 2346.65 2352.36 2353.48 2357.34 2357.59 2358.53 2361.49 2368.21 2376.12 2378.48 2387.45 2395.06 2396.76 2399.28 2402.10 2411.94 2462.50 2513.68 2539.44 2576.93 2609.93 2629.20 2642.96 2721.08 2770.98 4586.20 4598.17 4611.69 4613.44 4615.05 4618.92 4632.57 4658.90 4670.01 4689.97 4694.70 4696.86 4705.31 4711.34 4721.07 4731.42 4731.83 4740.54 4770.32 4774.18 4774.81 4779.26 4801.35 4805.16 4828.01 4847.22 4848.32 4848.55 4860.71 4879.95 4882.66 4909.15 4936.99 5280.28 5372.07 5583.47 5643.33 0.677762 0.709746 0.710690 0.608663 -1561.267552 -1561.235568 -1561.234624 -1561.336651 3.422002D-04 MUNgauss RevisionA2.1 retrievium 12-Jun-2021 DUDE Cc1ccc(cc1C)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCCc4c[nH]c5c4cc(cc5)OC C39599293 RHF 6-31G(d) (6D,10F) C1 489.286566 |X|Y|Z| 68.759277 159.483264 28.802402 68.101766 30 6 7 26 4 |36.858105| |12.616129|36.858105| |7.589716|13.728171|36.858105| |5.020054|7.878318|13.761464|36.858105| |4.426429|6.818458|7.955294|13.745925|36.858105| |5.021940|7.937139|6.931708|7.952647|13.681025|36.858105| |7.515439|13.570478|7.914115|6.817324|7.858400|13.772716|36.858105| |6.442692|7.506248|5.010264|4.424411|5.008856|7.593287|12.603864|36.858105| |3.288633|4.447999|5.037936|7.549670|12.779213|7.698585|5.059826|3.826777|36.858105| |2.945823|3.821951|4.046488|5.348628|8.082600|6.713914|4.535296|3.689791|15.775693|73.516695| |2.891563|3.728456|4.417963|6.469335|7.764229|5.198764|3.931871|3.095783|13.853036|15.063757|53.358707| |2.879630|3.633705|4.374174|6.047130|6.273809|4.527461|3.676577|2.924542|7.590243|9.629224|17.745720|36.858105| |2.374424|2.863259|3.245819|4.070268|4.376565|3.551760|2.961695|2.495301|5.420672|8.075431|10.758762|12.172819|36.858105| |2.366959|2.826629|3.115622|3.767678|4.104135|3.500437|2.958539|2.535563|4.800656|7.365533|8.278464|8.705264|17.568829|0.500000| |2.203969|2.653499|2.933377|3.673915|4.194336|3.481704|2.830511|2.427930|5.786302|9.578787|11.016154|7.692093|12.176931|0.242340|36.858105| |2.379533|2.923899|3.323244|4.375657|5.034004|3.905550|3.097547|2.583986|7.846753|12.533200|17.947400|8.144199|7.952815|0.161704|12.363297|36.858105| |2.227192|2.681017|2.840288|3.463226|4.192180|3.729602|2.980788|2.620318|5.675227|10.360186|8.622027|5.829161|7.559941|0.210771|12.331007|7.460055|36.858105| |2.029038|2.404634|2.499322|2.976921|3.600707|3.339819|2.701887|2.445821|4.798668|9.939091|6.674210|4.194785|4.877901|0.131804|7.441923|6.077378|12.527925|36.858105| |1.770391|2.053510|2.151740|2.518245|2.897812|2.673290|2.245591|2.052965|3.682469|7.235762|5.405265|3.567667|4.333581|0.115239|6.457893|5.160641|7.703761|12.616253|53.358707| |1.676103|1.927813|2.002982|2.315421|2.653983|2.489390|2.111976|1.955786|3.307574|6.645553|4.700923|3.068541|3.554892|0.094791|4.927574|4.346931|5.684933|9.158122|25.690824|0.500000| |1.697107|1.950259|2.032351|2.346265|2.667622|2.491177|2.124431|1.960645|3.277179|6.262647|4.812796|3.338350|4.169816|0.115821|5.733655|4.362491|7.014332|9.198792|25.685271|0.328519|0.500000| |1.749272|2.028748|2.175987|2.574651|2.875574|2.561528|2.167028|1.947800|3.678088|6.901902|5.801266|3.849868|4.804310|0.118922|7.502795|6.096324|6.528823|7.548170|17.194964|0.254666|0.255874|36.858105| |1.874272|2.190040|2.392772|2.872884|3.155830|2.730714|2.307598|2.036691|4.034812|7.046090|6.939799|4.990773|7.259981|0.167356|12.383161|7.437686|7.648098|6.460278|10.409214|0.157245|0.193869|12.495351|36.858105| |2.116590|2.473889|2.824980|3.401814|3.428912|2.848441|2.481748|2.126862|3.985680|6.141764|7.416513|7.522264|12.487250|0.246198|7.412428|5.839723|4.994741|3.763423|5.004321|0.086267|0.100293|4.343473|6.609331|36.858105| |2.030416|2.360118|2.725064|3.284702|3.244220|2.673565|2.342637|2.007050|3.789578|5.901377|7.091000|6.373716|8.022895|0.163326|6.386660|5.901279|4.278117|3.467488|4.740119|0.083527|0.092709|4.328342|6.270296|15.801250|73.516695| |1.977103|2.260179|2.531304|2.925116|2.924918|2.524829|2.257718|1.973500|3.243852|5.113294|5.546535|5.409890|7.813772|0.212121|5.304740|4.207329|4.176394|3.242839|4.385149|0.076745|0.091370|3.642578|5.130126|14.210578|15.111116|53.358707| |1.776789|1.988277|2.218648|2.497856|2.448328|2.146514|1.960921|1.736142|2.656084|4.259675|4.389539|3.995540|4.985945|0.133830|3.918983|3.351652|3.210334|2.659913|3.697811|0.066520|0.077211|3.093887|4.057197|7.762637|12.128427|17.761041|36.858105| |1.638929|1.806185|1.973338|2.171224|2.147586|1.934739|1.790763|1.614783|2.292414|3.741417|3.638691|3.215626|3.921170|0.112910|3.236354|2.752513|2.838370|2.398936|3.352435|0.060979|0.071623|2.703543|3.376346|5.121964|7.957433|10.570188|12.451832|36.858105| |1.477775|1.607387|1.749197|1.899303|1.864934|1.694056|1.584905|1.441493|1.974829|3.257343|3.084310|2.632963|3.063334|0.086116|2.655436|2.343218|2.354754|2.059759|2.912381|0.053984|0.061905|2.353629|2.818035|3.858672|6.493510|6.839781|7.564440|12.695751|36.858105| |1.429999|1.537047|1.668581|1.784431|1.732981|1.585225|1.502283|1.372550|1.803713|2.972188|2.776745|2.355969|2.634815|0.074181|2.291165|2.072195|2.061959|1.820612|2.543750|0.047637|0.053713|2.030222|2.377575|3.201726|5.464039|5.402347|5.427449|7.446909|14.088318|36.858105| |1.306284|1.396199|1.509243|1.607482|1.563856|1.437709|1.366064|1.255618|1.629929|2.711208|2.488372|2.063464|2.283002|0.063599|2.043887|1.873489|1.848907|1.664166|2.347857|0.044421|0.049482|1.877088|2.150342|2.726153|4.780923|4.381266|4.195022|5.157564|8.518433|13.949638|53.358707| |1.255056|1.332018|1.435505|1.516637|1.470209|1.358298|1.299026|1.198679|1.520924|2.534074|2.301956|1.895886|2.064031|0.057521|1.858109|1.721856|1.694487|1.535070|2.155696|0.041019|0.045297|1.712161|1.938587|2.419729|4.261115|3.809164|3.507761|4.143440|5.979443|9.064113|26.126141|0.500000| |1.269515|1.364464|1.473724|1.583026|1.554056|1.426259|1.344678|1.236493|1.641353|2.750767|2.516119|2.061595|2.319269|0.064068|2.119400|1.930854|1.906401|1.731234|2.484674|0.047065|0.052539|2.008178|2.290481|2.789470|4.957363|4.429560|4.248243|5.087983|8.332077|8.550994|18.849603|0.250032|36.858105| |1.358200|1.474840|1.598263|1.737482|1.717874|1.565907|1.461612|1.336617|1.836564|3.070485|2.853597|2.363671|2.745200|0.075882|2.488886|2.215176|2.209262|1.980879|2.864528|0.053611|0.060959|2.340429|2.736010|3.402157|5.963333|5.606333|5.694149|7.237143|13.166172|8.513888|11.577059|0.165365|13.608008|36.858105| |1.322783|1.443633|1.560031|1.709339|1.710338|1.559150|1.443265|1.322147|1.857130|3.140314|2.889990|2.346342|2.772833|0.075856|2.607449|2.300949|2.306672|2.099980|3.116583|0.058430|0.066700|2.585169|2.989447|3.407964|6.069596|5.393218|5.090499|5.760643|7.294511|5.267523|7.292619|0.118565|7.888274|13.659497|36.858105| |1.215051|1.318051|1.417472|1.543554|1.545117|1.417928|1.318234|1.215326|1.673131|2.856153|2.570275|2.042677|2.357573|0.064174|2.273732|2.050410|2.038060|1.899499|2.838520|0.054113|0.060461|2.343566|2.608328|2.803167|5.092682|4.236720|3.773123|4.081198|5.009067|4.173338|6.303506|0.108952|6.904809|7.962803|13.818568|36.858105| |1.150820|1.237994|1.329013|1.432774|1.423094|1.312129|1.230946|1.138954|1.521846|2.593707|2.315899|1.838782|2.071541|0.056558|1.981686|1.818828|1.793010|1.675773|2.466600|0.047380|0.052194|2.009147|2.213243|2.430411|4.423362|3.656365|3.249595|3.547481|4.545646|4.184297|6.992957|0.125552|8.015544|6.869866|7.884997|13.572928|36.858105| |1.172511|1.255950|1.350601|1.447235|1.425607|1.314608|1.240825|1.146944|1.508600|2.551219|2.293816|1.843890|2.056111|0.056461|1.925331|1.773259|1.743905|1.611803|2.333896|0.044670|0.049260|1.885872|2.101466|2.422636|4.371978|3.709779|3.377440|3.803799|5.272448|5.305528|10.315684|0.183856|13.740108|7.840511|6.778343|7.872509|13.809554|36.858105| |1.182500|1.285933|1.377853|1.505989|1.521328|1.399533|1.294817|1.197150|1.663164|2.870716|2.544525|1.985043|2.298546|0.062233|2.286538|2.063040|2.060362|1.957600|2.988102|0.057456|0.063798|2.483059|2.689928|2.677019|4.899286|3.918447|3.311050|3.441462|3.868437|3.268410|4.746922|0.085167|4.630060|5.288595|8.217469|14.040789|7.831559|5.176833|73.516695| |1.092751|1.181403|1.260142|1.368280|1.381268|1.278936|1.189218|1.105871|1.501897|2.608985|2.269854|1.748077|1.983127|0.053690|1.992345|1.831041|1.819063|1.755864|2.672289|0.052176|0.056704|2.193615|2.310655|2.257085|4.151877|3.243254|2.679486|2.763570|3.087721|2.744929|4.068757|0.075632|3.812102|3.988920|5.269723|7.987405|6.730699|4.525742|24.214197|36.858105| |17.547688|8.833393|5.886968|4.292657|3.959253|4.586066|6.681260|6.525907|3.033945|4.880244|3.669802|2.737357|2.305439|0.064960|2.127461|2.245100|2.178711|1.978070|2.351006|0.045380|0.046372|1.693056|1.816767|2.054468|3.464589|2.649435|1.749358|1.632548|1.469948|1.426089|1.769405|0.034732|1.259404|1.346264|1.307417|1.199548|1.137393|1.161286|2.071709|1.076521|0.500000| |17.550089|8.837909|5.905375|4.298762|3.960416|4.591068|6.677687|6.517135|3.042801|4.990360|3.608658|2.578257|2.162643|0.059634|2.049802|2.225630|2.082638|1.934512|2.305461|0.044924|0.044984|1.667601|1.762220|1.936384|3.329405|2.458950|1.634009|1.511894|1.372650|1.328351|1.662767|0.032661|1.191954|1.271554|1.244372|1.149740|1.090327|1.107255|1.997807|1.043281|0.302729|0.500000| |17.597615|8.856283|7.327838|4.782948|3.977453|4.185895|5.553456|4.729666|3.042239|4.800528|3.763333|2.799728|2.305999|0.063408|2.117117|2.289774|2.099443|1.906946|2.294618|0.044302|0.044958|1.685623|1.816449|2.096823|3.604700|2.675685|1.785807|1.643306|1.490097|1.451173|1.805600|0.035502|1.283451|1.366938|1.324431|1.217309|1.157788|1.184394|2.097736|1.091124|0.301847|0.301949|0.500000| |7.068581|8.936318|17.718133|8.956583|5.661648|4.982658|5.634500|4.082239|4.100061|6.010137|5.215018|3.919584|2.980228|0.079187|2.664580|2.993384|2.533366|2.241556|2.684315|0.051148|0.052009|2.018151|2.225182|2.694947|4.683470|3.325897|2.184801|1.943679|1.739815|1.675795|2.067042|0.040294|1.473992|1.587034|1.538308|1.400717|1.321814|1.350477|2.408478|1.241614|0.152847|0.153806|0.227153|0.500000| |4.105057|5.629732|8.939733|17.735129|8.887860|5.642318|4.924947|3.541323|6.910216|8.741423|9.626427|6.840600|4.387110|0.108140|3.870283|4.761157|3.441480|2.938781|3.463541|0.064692|0.065680|2.679706|3.044846|3.793265|6.700085|4.328300|2.726694|2.314534|2.025609|1.898435|2.324458|0.044639|1.683157|1.851536|1.818710|1.637394|1.518099|1.534794|2.831299|1.442071|0.099542|0.099881|0.114172|0.216880|0.500000| |4.086420|5.641917|4.984415|5.667669|8.957335|17.737104|8.941182|7.056514|7.224150|13.252303|6.600956|4.127423|3.440366|0.095412|3.525211|3.870563|3.989645|3.694895|3.909119|0.074792|0.074066|2.669445|2.780778|2.734409|4.544207|3.314160|2.067485|1.880106|1.647107|1.534105|1.900268|0.036600|1.392968|1.532547|1.537641|1.402260|1.293255|1.288819|2.476377|1.274913|0.107668|0.107949|0.096071|0.108065|0.124332|0.500000| |6.521430|6.669362|4.580421|3.958409|4.285519|5.899844|8.822805|17.550801|3.374817|5.864558|3.781033|2.603960|2.236947|0.062463|2.194301|2.360325|2.333819|2.215994|2.572598|0.050463|0.050034|1.805889|1.871376|1.942349|3.300575|2.455213|1.606785|1.495615|1.347734|1.288797|1.614360|0.031555|1.168545|1.256348|1.243694|1.149721|1.081616|1.088817|2.016128|1.052641|0.174306|0.212575|0.133384|0.107836|0.090288|0.153438|0.500000| |6.496283|6.652908|4.568220|3.953656|4.286213|5.892554|8.816215|17.544761|3.365367|5.693332|3.854049|2.769627|2.397539|0.068710|2.292028|2.385223|2.473647|2.284224|2.638422|0.051152|0.052006|1.839630|1.938374|2.062566|3.433622|2.645862|1.716652|1.612620|1.439863|1.377758|1.711749|0.033416|1.232189|1.328648|1.307080|1.199923|1.127838|1.140352|2.092923|1.087191|0.211969|0.173300|0.133045|0.107410|0.090045|0.152808|0.302710|0.500000| |4.729957|5.551503|4.179791|3.976708|4.774929|7.332494|8.857598|17.590551|3.884166|6.971000|4.212566|2.872677|2.506706|0.071146|2.495075|2.632179|2.768249|2.630578|2.963724|0.057893|0.057697|2.028950|2.094730|2.114346|3.535206|2.667285|1.716441|1.601839|1.427603|1.352145|1.686365|0.032791|1.226306|1.329639|1.323320|1.217807|1.137225|1.140078|2.143004|1.113982|0.133390|0.133391|0.103967|0.096002|0.090520|0.226706|0.302239|0.301953|0.500000| |3.256182|4.199644|5.022473|6.829009|7.089371|5.204814|4.251308|3.306605|7.247799|9.174200|12.323832|17.664571|8.642688|0.226587|5.915231|5.905197|5.286432|3.853597|4.379111|0.077902|0.085187|3.314919|4.105134|5.843301|8.665516|6.537872|3.630520|3.055788|2.505602|2.276976|2.703606|0.051020|1.960119|2.224964|2.181541|1.905463|1.731806|1.750268|3.275674|1.631922|0.087030|0.079172|0.086978|0.121529|0.194521|0.127757|0.079924|0.088075|0.089159|0.500000| |2.825527|3.489934|4.366757|5.883955|5.373301|3.945783|3.368225|2.691896|5.928903|7.896641|12.370441|17.626772|8.721194|0.181496|5.945883|6.645824|4.490196|3.483306|4.231816|0.075741|0.081250|3.452137|4.415525|7.644012|12.809737|7.458588|4.251146|3.303866|2.740387|2.473482|2.944385|0.055262|2.147172|2.447465|2.400247|2.088804|1.893482|1.912825|3.573749|1.770594|0.073890|0.070128|0.078271|0.114094|0.207214|0.098176|0.067815|0.071225|0.072255|0.301989|0.500000| |2.241308|2.703341|3.123407|4.028502|4.293380|3.366027|2.778060|2.332703|5.911307|9.384066|12.535734|7.104827|6.982391|0.140606|8.858195|17.588085|5.485704|4.735159|6.059104|0.107198|0.107062|5.687723|7.071273|6.195258|12.786119|5.884181|3.561041|2.839182|2.447026|2.159449|2.669890|0.049975|2.032087|2.332439|2.430505|2.168772|1.921103|1.869041|3.875283|1.930401|0.058498|0.058337|0.060875|0.080417|0.127706|0.090821|0.060033|0.060243|0.065171|0.142438|0.188641|0.500000| |2.306439|2.820300|3.125659|4.023150|4.791954|3.879198|3.051419|2.587274|7.594358|14.725232|12.493180|5.809639|5.636279|0.127688|8.542238|17.707129|6.858215|6.758112|7.584308|0.135636|0.124085|6.293406|6.340510|4.434256|8.046876|4.679175|2.847058|2.410729|2.093485|1.867775|2.326717|0.043905|1.767701|2.006397|2.099562|1.901892|1.694873|1.642935|3.441498|1.740098|0.060268|0.060867|0.061140|0.077765|0.117349|0.110440|0.066210|0.065489|0.074307|0.130940|0.137691|0.301062|0.500000| |2.515260|3.100334|3.245892|4.011582|5.161975|4.639708|3.550992|3.071489|7.093178|12.770254|9.614506|6.323706|6.953134|0.201890|8.712215|6.887998|17.630783|9.048008|7.647736|0.127395|0.143891|4.880654|5.519327|4.511794|6.894243|5.211237|2.971441|2.645744|2.206949|1.964403|2.393084|0.045062|1.790302|2.048905|2.103748|1.867346|1.665454|1.635770|3.325637|1.665278|0.068420|0.064921|0.064934|0.078455|0.106748|0.140914|0.074409|0.079895|0.090926|0.172034|0.129800|0.139419|0.178578|0.500000| |2.096499|2.475077|2.594375|3.066412|3.586709|3.290560|2.726260|2.446257|4.453830|7.928448|6.695261|5.031025|6.957889|0.225723|8.809293|5.470655|17.499833|8.903188|9.445678|0.144383|0.205848|5.755910|6.933336|4.906975|7.185512|6.005932|3.358710|3.062659|2.500328|2.170486|2.631364|0.049016|1.994564|2.331359|2.434565|2.130514|1.864265|1.814276|3.817371|1.881834|0.057735|0.054322|0.055084|0.065082|0.084528|0.097109|0.060508|0.065391|0.071648|0.132605|0.111698|0.123387|0.138448|0.304061|0.500000| |2.100652|2.511080|2.617325|3.154353|3.883091|3.569939|2.838387|2.548026|5.408528|12.322432|7.177815|4.157403|4.473202|0.115949|6.667822|6.660295|8.777097|17.660851|12.333783|0.223865|0.180627|6.821489|5.650056|3.511821|5.959018|4.046747|2.480322|2.213761|1.925870|1.718429|2.150237|0.040667|1.639550|1.858165|1.962515|1.791083|1.592633|1.533949|3.281492|1.670173|0.056225|0.056051|0.054714|0.064819|0.086366|0.110621|0.064636|0.064962|0.076279|0.104981|0.097089|0.141274|0.239349|0.215013|0.173386|0.500000| |1.981749|2.323995|2.360740|2.743847|3.323749|3.229130|2.649014|2.463199|4.182692|8.723350|5.524737|3.593802|4.062725|0.115203|5.436274|4.611764|8.773554|17.626003|12.365288|0.221673|0.226243|5.564990|4.882660|3.219488|5.242499|3.924640|2.403452|2.222190|1.921673|1.712745|2.137002|0.040409|1.627215|1.847525|1.949814|1.774777|1.576542|1.519634|3.250347|1.652317|0.054178|0.052752|0.051370|0.058752|0.073866|0.101785|0.061831|0.064224|0.074855|0.095658|0.084057|0.104391|0.139866|0.213706|0.215753|0.301507|0.500000| |1.787446|2.082233|2.244372|2.677012|2.997114|2.644278|2.223309|1.986954|3.908635|7.508675|6.107373|3.815808|4.420539|0.106736|6.736691|6.712511|5.730445|6.877788|12.429117|0.225378|0.181354|17.634854|8.749783|3.990463|7.373665|4.471198|2.835063|2.455463|2.168673|1.897833|2.402598|0.045022|1.877895|2.156733|2.357038|2.163896|1.881793|1.773562|4.062058|2.048991|0.047628|0.047589|0.047853|0.057740|0.077799|0.076436|0.051517|0.051602|0.057431|0.090468|0.096275|0.177960|0.214707|0.127809|0.132959|0.203271|0.141926|0.500000| |1.593596|1.821930|1.945492|2.259525|2.475986|2.236661|1.930170|1.755193|3.047738|5.669354|4.723249|3.239616|3.982749|0.101188|5.462630|4.625520|4.910185|5.561821|12.367322|0.222507|0.225658|17.625199|8.766243|3.843541|6.924970|4.584732|2.979481|2.652896|2.355406|2.024396|2.578270|0.047938|2.055608|2.397039|2.711925|2.494835|2.114718|1.953379|4.818234|2.398779|0.042981|0.042343|0.042860|0.050656|0.065407|0.064476|0.045518|0.046343|0.050651|0.078939|0.083033|0.126646|0.131122|0.107814|0.129543|0.141230|0.126506|0.301435|0.500000| |1.785183|2.061484|2.228798|2.619864|2.851430|2.523868|2.168355|1.938352|3.490957|6.066442|5.775292|4.436183|6.683753|0.172612|8.768213|5.447645|6.876609|5.680838|9.355667|0.143603|0.203832|8.885559|17.503123|6.464191|10.070364|7.662295|4.415118|3.802870|3.103285|2.563667|3.132189|0.057142|2.468938|3.009952|3.330214|2.846661|2.375404|2.247270|5.214521|2.472732|0.048552|0.046527|0.048103|0.057896|0.076321|0.071512|0.049372|0.051845|0.055402|0.106138|0.109967|0.144120|0.132194|0.140309|0.205080|0.131220|0.128517|0.173023|0.215346|0.500000| |1.821682|2.114583|2.342537|2.804580|2.982254|2.550624|2.186956|1.922062|3.724520|6.358376|6.547821|4.798675|6.559401|0.145105|8.771694|6.899240|5.526455|4.850228|7.607040|0.126984|0.143163|8.996149|17.628658|7.171074|14.078525|7.276789|4.437392|3.527846|2.991948|2.508567|3.104361|0.056873|2.451595|2.943400|3.246230|2.827246|2.382344|2.251380|5.179600|2.482131|0.048788|0.047585|0.049541|0.061383|0.084573|0.070893|0.049476|0.050862|0.054326|0.107524|0.126026|0.216068|0.160098|0.122838|0.141092|0.126572|0.107408|0.213640|0.212659|0.303967|0.500000| |2.027652|2.313684|2.555564|2.918790|2.950525|2.591408|2.326978|2.046417|3.216179|5.079016|5.323145|5.240375|7.457181|0.242865|5.010219|3.902379|4.268615|3.251227|4.299456|0.075218|0.091065|3.411166|4.640097|9.435518|10.886427|26.072300|9.001182|7.444775|4.717536|3.829035|4.186643|0.074978|3.053669|3.792955|3.601385|2.867468|2.506250|2.561052|4.724575|2.224550|0.056052|0.051228|0.055686|0.068060|0.086088|0.069681|0.051547|0.056495|0.056553|0.138280|0.140148|0.106668|0.090157|0.110908|0.130660|0.081576|0.081921|0.084955|0.087301|0.145023|0.126238|0.500000| |1.828045|2.034734|2.297833|2.565346|2.450983|2.136726|1.973759|1.737622|2.603804|4.126810|4.286722|3.932212|4.511825|0.119034|3.525173|3.174669|2.905260|2.430994|3.325298|0.060536|0.068476|2.763808|3.518280|6.696511|11.364112|12.359607|17.573832|8.823450|6.782696|5.549159|5.800153|0.100839|4.103002|5.079602|4.355850|3.400101|3.057706|3.265282|5.275759|2.467328|0.049826|0.046514|0.051566|0.063801|0.078835|0.056457|0.044844|0.047801|0.047278|0.100208|0.121933|0.094860|0.075116|0.076507|0.082661|0.064070|0.061275|0.072117|0.073539|0.102026|0.107416|0.195151|0.500000| |1.677948|1.877140|2.091522|2.365366|2.334012|2.045071|1.859606|1.651754|2.574195|4.186404|4.266758|3.713085|4.634147|0.119504|3.919949|3.390077|3.146826|2.674927|3.826329|0.069093|0.079523|3.309176|4.331185|7.190457|12.980838|12.539823|17.639846|8.806271|6.973423|4.956622|5.622448|0.095574|4.471104|6.200159|6.055613|4.383045|3.626605|3.642221|6.869833|3.044746|0.045641|0.043210|0.046795|0.057157|0.072001|0.055059|0.042708|0.045068|0.045551|0.091543|0.109619|0.102761|0.080667|0.079417|0.090246|0.069649|0.066546|0.084141|0.090349|0.130113|0.138708|0.182450|0.303758|0.500000| |1.595236|1.762773|1.905937|2.104291|2.120594|1.926328|1.770893|1.607876|2.291705|3.789627|3.612480|3.137096|3.963224|0.116996|3.376981|2.782398|3.021604|2.559074|3.631653|0.065656|0.079174|2.901388|3.624296|4.948831|7.525509|9.880242|8.877755|17.509159|8.948419|5.749712|6.028775|0.101054|4.629593|6.660134|6.018246|4.216900|3.528732|3.630253|6.503521|2.893557|0.044254|0.041043|0.044079|0.051625|0.061643|0.052594|0.041271|0.044557|0.044672|0.082824|0.086829|0.078529|0.068207|0.076892|0.092961|0.064534|0.066128|0.071669|0.079832|0.118521|0.102648|0.205140|0.173800|0.208609|0.500000| |1.706831|1.871989|2.038374|2.218210|2.180886|1.977953|1.847406|1.668023|2.284623|3.702675|3.580380|3.214300|3.806030|0.113262|3.067304|2.631085|2.757263|2.311387|3.158278|0.057609|0.067378|2.489484|3.070117|4.698901|7.124182|9.487711|8.854040|17.514726|8.950516|7.036970|6.450539|0.110286|4.341663|5.473942|4.415164|3.370233|3.049683|3.325959|5.155901|2.407267|0.047559|0.043477|0.047609|0.055908|0.065181|0.053135|0.042766|0.046645|0.045765|0.087447|0.091461|0.074254|0.064135|0.072930|0.082980|0.059327|0.060099|0.063308|0.067031|0.094743|0.087160|0.211046|0.214408|0.173418|0.303172|0.500000| |1.476297|1.577991|1.712259|1.814456|1.748675|1.604457|1.532464|1.400421|1.796252|2.943355|2.747275|2.350220|2.577316|0.073210|2.211333|2.014620|2.007230|1.763633|2.429856|0.045541|0.051149|1.919392|2.242876|3.072773|5.183979|5.157725|4.919768|6.436207|8.694269|17.777024|12.239780|0.213194|5.886094|5.787320|4.094331|3.380454|3.405238|4.180757|4.914613|2.377818|0.041049|0.037942|0.041773|0.048015|0.053477|0.042918|0.036503|0.039250|0.038145|0.064027|0.068776|0.057944|0.050422|0.053776|0.058598|0.046364|0.046285|0.050113|0.052655|0.066627|0.065117|0.104240|0.146726|0.119531|0.139010|0.195564|0.500000| |1.379400|1.517497|1.640409|1.815153|1.834211|1.665864|1.527641|1.395526|2.018973|3.422885|3.169658|2.572327|3.137009|0.085661|2.985061|2.568164|2.615632|2.369043|3.571565|0.066202|0.077116|3.002833|3.538490|3.890983|6.845058|6.163072|5.594388|6.047569|6.423948|4.546313|5.885642|0.098713|5.597128|8.795701|17.726019|9.001370|5.634576|4.903869|13.532524|4.884129|0.037838|0.036024|0.038184|0.044604|0.053612|0.045833|0.036329|0.038207|0.038957|0.065780|0.072211|0.075156|0.064762|0.065161|0.077300|0.060858|0.060624|0.074548|0.088229|0.112775|0.106941|0.112855|0.125155|0.192552|0.191037|0.125931|0.102854|0.500000| |1.085423|1.163745|1.245059|1.337747|1.330265|1.231710|1.158127|1.075862|1.420589|2.434434|2.145596|1.684753|1.878994|0.051223|1.819333|1.685975|1.658494|1.568016|2.312542|0.044808|0.048804|1.875169|2.029142|2.168076|3.965208|3.201499|2.765467|2.959567|3.621974|3.426100|5.627124|0.106312|5.695089|4.954515|5.624716|8.836198|17.770510|9.009345|12.513425|7.514082|0.029782|0.028671|0.030328|0.034414|0.039273|0.033787|0.028473|0.029569|0.029868|0.044162|0.048093|0.049409|0.044024|0.042899|0.047688|0.041586|0.041130|0.049110|0.055089|0.059975|0.060455|0.061311|0.073029|0.085019|0.082262|0.072316|0.080404|0.124138|0.500000| |1.118537|1.190924|1.277391|1.359345|1.334563|1.235938|1.173289|1.088306|1.402441|2.374472|2.115994|1.692699|1.859984|0.051131|1.745002|1.624031|1.592270|1.479120|2.128781|0.040971|0.044778|1.707389|1.883557|2.159813|3.902752|3.267685|2.909021|3.231621|4.293909|4.609286|9.088937|0.186165|8.849234|5.586945|4.902510|5.613133|8.933658|17.714419|7.427967|3.922432|0.030794|0.029396|0.031457|0.035608|0.039959|0.033623|0.028788|0.030103|0.030000|0.044894|0.048851|0.047449|0.042014|0.041780|0.045840|0.039288|0.038907|0.044931|0.048968|0.055460|0.055773|0.063215|0.079761|0.085540|0.085306|0.081155|0.106452|0.106689|0.217499|0.500000| |1.080536|1.170364|1.245041|1.355020|1.376471|1.277098|1.183684|1.102913|1.505384|2.634905|2.266880|1.726268|1.960705|0.052974|2.005874|1.845093|1.841617|1.801984|2.778716|0.054691|0.059009|2.282449|2.353849|2.200834|4.052462|3.113867|2.508718|2.549729|2.754383|2.442972|3.535741|0.066115|3.195449|3.411597|4.421925|5.865489|4.903073|3.622102|17.001026|17.638422|0.029541|0.028732|0.029883|0.033954|0.039568|0.035520|0.029181|0.030042|0.030966|0.044673|0.048253|0.053894|0.049119|0.046608|0.052801|0.047636|0.047142|0.059185|0.070444|0.069777|0.069926|0.059473|0.063944|0.078992|0.074924|0.062173|0.059692|0.121555|0.146645|0.089171|0.500000| 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