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3 5 5 3 5 5 5 8 9 1 2 3 6 3 5 5 8 8 14 8 14 8 14 8 14 8 14 8 9 1 2 3 6 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 8 9 1 2 3 6 3 5 5 3 5 5 8 9 9 8 9 1 2 3 6 3 5 3 5 5 5 3 5 5 5 8 9 1 2 3 6 3 6 6 10 11 8 9 1 2 3 6 3 6 6 10 11 8 9 1 2 3 6 3 5 5 5 8 9 1 2 3 6 3 6 3 5 5 5 10 11 8 9 1 2 3 6 3 5 5 8 9 1 2 2 8 9 1 2 3 6 3 5 5 5 8 9 1 2 3 6 3 5 5 3 5 3 5 5 5 3 5 5 5 8 9 1 2 3 6 3 5 5 3 5 5 3 6 6 1 2 8 1 2 2 1 2 2 8 9 1 2 3 6 3 6 6 10 11 8 9 1 2 3 6 3 5 5 3 6 6 7 3 6 6 6 8 9 1 2 3 6 3 5 5 3 5 5 8 9 1 2 2 8 9 1 2 3 6 6 8 9 1 2 3 6 3 5 5 8 8 14 8 14 8 14 8 14 8 14 8 9 1 3 6 6 3 5 5 3 5 5 3 6 8 9 1 2 3 6 3 5 5 8 8 14 8 14 8 14 8 14 8 14 8 9 1 2 3 6 3 5 5 8 8 14 8 14 8 10 11 8 14 8 14 8 9 1 2 3 6 3 5 5 8 9 9 8 9 1 2 3 6 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 8 9 1 3 6 6 3 5 5 3 5 5 3 6 8 9 1 2 3 6 3 5 5 3 6 6 7 3 6 6 6 8 9 1 2 3 6 3 5 5 3 5 5 3 6 6 1 2 8 1 2 2 1 2 2 8 9 1 2 3 6 3 5 3 5 5 5 3 5 5 3 5 5 5 8 9 1 2 3 6 3 5 5 3 5 5 8 9 1 2 2 8 9 1 2 3 6 3 5 5 8 8 14 8 14 8 10 11 8 14 8 14 8 9 1 2 3 6 3 5 5 5 8 9 1 2 3 6 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 8 9 1 2 3 6 3 6 3 5 5 5 10 11 8 9 1 2 3 6 3 5 5 8 9 9 8 9 1 2 3 6 3 6 6 10 11 8 9 1 2 3 6 3 5 5 8 9 9 8 9 1 2 3 6 3 5 3 5 5 5 3 5 5 3 5 5 5 8 9 1 2 3 6 3 5 3 5 5 5 3 5 5 3 5 5 5 8 9 1 2 3 6 3 5 5 5 8 9 1 2 3 6 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 8 9 1 2 3 6 3 5 5 3 6 6 7 3 6 6 6 8 9 1 2 3 6 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 8 9 1 2 3 6 6 8 9 1 2 3 6 3 6 3 5 5 5 10 11 8 9 1 2 3 6 3 5 5 8 8 14 8 14 8 14 8 14 8 14 8 9 1 2 3 6 3 5 3 5 5 5 3 5 5 5 8 9 9 15 15 15 15 15 15 15 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 9 8 9 3 5 5 8 9 9 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 12 6 5 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 12 7 11 5 4 8 6 5 3 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 7 4 7 4 3 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 14 7 12 9 8 3 2 1 4 2 1 1 2 1 1 1 1 1 1 1 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 6 7 4 5 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 92 106 121 2 3 5 8 12 17 23 30 38 47 57 68 80 93 107 122 4 5 6 9 13 18 24 31 39 48 58 69 81 94 108 123 7 8 9 10 14 19 25 32 40 49 59 70 82 95 109 124 11 12 13 14 15 20 26 33 41 50 60 71 83 96 110 125 16 17 18 19 20 21 27 34 42 51 61 72 84 97 111 126 22 23 24 25 26 27 28 35 43 52 62 73 85 98 112 127 29 30 31 32 33 34 35 36 44 53 63 74 86 99 113 128 37 38 39 40 41 42 43 44 45 54 64 75 87 100 114 129 46 47 48 49 50 51 52 53 54 55 65 76 88 101 115 130 56 57 58 59 60 61 62 63 64 65 66 77 89 102 116 131 67 68 69 70 71 72 73 74 75 76 77 78 90 103 117 132 79 80 81 82 83 84 85 86 87 88 89 90 91 104 118 133 92 93 94 95 96 97 98 99 100 101 102 103 104 105 119 134 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 135 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 %FLAG RESIDUE_LABEL %FORMAT(20a4) MET ALA VAL PRO GLU THR ARG PRO ASN HIE THR ILE TYR ILE ASN ASN LEU ASN GLU LYS ILE LYS LYS ASP GLU LEU LYS LYS SER LEU TYR ALA ILE PHE SER GLN PHE GLY GLN ILE LEU ASP ILE LEU VAL SER ARG SER LEU LYS MET ARG GLY GLN ALA PHE VAL ILE PHE LYS GLU VAL SER SER ALA THR ASN ALA LEU ARG SER MET GLN GLY PHE PRO PHE TYR ASP LYS PRO MET ARG ILE GLN TYR ALA LYS THR ASP SER ASP ILE ILE ALA LYS MET LYS GLY THR PHE VAL Cl- Cl- Cl- Cl- Cl- Cl- Cl- Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ MLA Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 20 30 46 60 75 89 113 127 141 158 172 191 212 231 245 259 278 292 307 329 348 370 392 404 419 438 460 482 493 512 533 543 562 582 593 610 630 637 654 673 692 704 723 742 758 769 793 804 823 845 862 886 893 910 920 940 956 975 995 1017 1032 1048 1059 1070 1080 1094 1108 1118 1137 1161 1172 1189 1206 1213 1233 1247 1267 1288 1300 1322 1336 1353 1377 1396 1413 1434 1444 1466 1480 1492 1503 1515 1534 1553 1563 1585 1602 1624 1631 1645 1665 1682 1683 1684 1685 1686 1687 1688 1689 1690 1699 1700 1709 1710 1719 1720 1729 1730 1739 1740 1749 1750 1759 1760 1769 1770 1779 1780 1789 1790 1799 1800 1809 1810 1819 1820 1829 1830 1839 1840 1849 1850 1859 1860 1869 1870 1879 1880 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 4.90000000E+02 3.40000000E+02 2.27000000E+02 3.40000000E+02 3.10000000E+02 3.40000000E+02 3.17000000E+02 4.34000000E+02 3.67000000E+02 4.34000000E+02 3.37000000E+02 6.56000000E+02 5.53000000E+02 3.20000000E+02 4.34000000E+02 4.81000000E+02 3.37000000E+02 3.67000000E+02 4.34000000E+02 4.27000000E+02 3.67000000E+02 4.77000000E+02 4.88000000E+02 4.10000000E+02 5.18000000E+02 3.17000000E+02 3.67000000E+02 4.69000000E+02 4.50000000E+02 4.69000000E+02 3.17000000E+02 6.23600000E+02 3.37300000E+02 3.28300000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.22900000E+00 1.33500000E+00 1.09000000E+00 1.81000000E+00 1.09000000E+00 1.52600000E+00 1.09000000E+00 1.52200000E+00 1.01000000E+00 1.47100000E+00 1.01000000E+00 1.44900000E+00 1.25000000E+00 9.60000000E-01 1.41000000E+00 1.01000000E+00 1.34000000E+00 1.46300000E+00 1.08000000E+00 1.01000000E+00 1.38100000E+00 1.08000000E+00 1.34300000E+00 1.33500000E+00 1.39400000E+00 1.37100000E+00 1.50400000E+00 1.08000000E+00 1.40000000E+00 1.36400000E+00 1.40900000E+00 1.51000000E+00 1.22440000E+00 1.09200000E+00 1.50800000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 8.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 6.20000000E+01 5.00000000E+01 3.50000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 3.50000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 3.50000000E+01 8.02300000E+01 4.70300000E+01 3.94300000E+01 6.78800000E+01 6.39300000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.14501057E+00 2.09439600E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 1.72613137E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 2.00189351E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.10137732E+00 2.03505478E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.94080696E+00 1.91113635E+00 2.06018753E+00 1.91113635E+00 1.91462701E+00 1.92160833E+00 2.05948940E+00 2.19911580E+00 1.91113635E+00 2.04203610E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.06647072E+00 2.15024656E+00 1.94080696E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.04203610E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.09439600E+00 2.09439600E+00 1.97396823E+00 2.09439600E+00 2.09439600E+00 1.97222290E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.09439600E+00 1.98967620E+00 1.91113635E+00 2.12389208E+00 1.92841512E+00 1.89106506E+00 2.14989749E+00 1.95616586E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 2.00000000E+00 2.50000000E+00 0.00000000E+00 2.00000000E+00 4.00000000E-01 0.00000000E+00 0.00000000E+00 2.70000000E-01 4.20000000E-01 3.33333333E-01 1.55555556E-01 2.00000000E-01 2.00000000E-01 8.00000000E-01 8.00000000E-02 4.50000000E-01 1.58000000E+00 5.50000000E-01 1.60000000E-01 1.50000000E-01 2.00000000E-01 2.50000000E-01 1.80000000E-01 2.50000000E-01 0.00000000E+00 1.66666667E-01 2.40000000E+00 1.50000000E+00 2.32500000E+00 5.37500000E+00 5.00000000E+00 3.62500000E+00 2.30000000E+00 1.05000000E+01 1.10000000E+00 1.00000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 1.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 1.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 %FLAG SOLTY %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 9.44293233E+05 2.12601181E+03 1.39982777E-01 9.95480466E+05 2.56678134E+03 1.04308023E+06 2.01791425E+04 9.14716912E+00 2.27401052E+04 2.01823541E+02 8.96776989E+04 1.07193646E+02 9.71708117E+04 1.41077189E+03 7.51607703E+03 6.20665997E+04 5.94667300E+01 6.78771368E+04 8.79040886E+02 4.98586848E+03 3.25969625E+03 2.01562190E+06 5.97860700E+03 2.09861767E+06 4.93469320E+04 2.02461849E+05 1.42791446E+05 4.19430400E+06 8.82619071E+05 2.27577561E+03 9.24822270E+05 2.01619733E+04 8.61541883E+04 6.01816484E+04 1.86068943E+06 8.19971662E+05 6.06829342E+05 1.02595236E+03 6.47841731E+05 1.12780457E+04 5.44261042E+04 3.69471530E+04 1.32911052E+06 5.74393458E+05 3.79876399E+05 7.44975864E+05 1.40467023E+03 7.91544157E+05 1.45985502E+04 6.82786631E+04 4.66922514E+04 1.61587928E+06 7.01803794E+05 4.71003287E+05 5.81803229E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.46147253E+04 4.90239937E+01 5.98885646E+04 7.50063100E+02 4.33325458E+03 2.82099197E+03 1.26338489E+05 5.30987710E+04 3.23283631E+04 4.09427581E+04 0.00000000E+00 2.43828624E+03 6.58473870E+04 6.63368273E+01 7.18621074E+04 9.55000044E+02 5.34045360E+03 3.50301067E+03 1.50848032E+05 6.37148278E+04 3.93690817E+04 4.96707306E+04 0.00000000E+00 3.03448006E+03 3.76169105E+03 7.91627154E+04 8.90987508E+01 8.59947003E+04 1.21014911E+03 6.55825601E+03 4.33325458E+03 1.79647996E+05 7.62451550E+04 4.77908183E+04 6.00750218E+04 0.00000000E+00 3.76169105E+03 4.64559155E+03 5.71629601E+03 3.44482863E+06 1.95780471E+04 3.47876374E+06 1.16959488E+05 3.96588227E+05 2.92681455E+05 6.73324011E+06 3.08436311E+06 2.41912766E+06 2.87212414E+06 0.00000000E+00 2.62385547E+05 3.06060157E+05 3.56308844E+05 9.24719470E+06 1.36919347E+05 1.25820601E+02 1.49995867E+05 1.90132449E+03 1.09119307E+04 7.11465296E+03 3.16107989E+05 1.32990267E+05 8.12116828E+04 1.02772745E+05 0.00000000E+00 6.15221292E+03 7.65043029E+03 9.47658423E+03 6.53416059E+05 1.55205818E+04 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 8.01323529E+02 2.09604198E+01 9.37598976E-02 7.36907417E+02 2.06278363E+01 6.75612247E+02 6.45756063E+01 7.57919667E-01 6.13981767E+01 3.56012899E+00 1.36131731E+02 2.59456373E+00 1.26919150E+02 9.41257003E+00 2.17257828E+01 1.13252061E+02 1.93248820E+00 1.06076943E+02 7.42992380E+00 1.76949863E+01 1.43076527E+01 1.28923404E+03 3.87070358E+01 1.17824605E+03 1.11203892E+02 2.25248294E+02 1.89165096E+02 2.04800000E+03 6.53361429E+02 1.82891803E+01 5.99015525E+02 5.44372326E+01 1.12529845E+02 9.40505980E+01 1.04466382E+03 5.31102864E+02 6.77220874E+02 1.53505284E+01 6.26720080E+02 5.08951803E+01 1.11805549E+02 9.21192136E+01 1.10369829E+03 5.55666448E+02 5.64885984E+02 7.50714425E+02 1.79702257E+01 6.93079947E+02 5.79323581E+01 1.25287818E+02 1.03606917E+02 1.21753341E+03 6.14502845E+02 6.29300710E+02 6.99746810E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.05031585E+02 1.73473071E+00 9.85097219E+01 6.78541827E+00 1.63092814E+01 1.31591746E+01 1.75916126E+02 8.73413012E+01 8.51921330E+01 9.59185913E+01 0.00000000E+00 1.20953369E+01 1.15327881E+02 2.01792524E+00 1.07908863E+02 7.65648470E+00 1.81057616E+01 1.46638650E+01 1.92224012E+02 9.56748258E+01 9.40124296E+01 1.05648788E+02 0.00000000E+00 1.34932874E+01 1.50233639E+01 1.26451907E+02 2.33864085E+00 1.18043746E+02 8.61880722E+00 2.00642027E+01 1.63092814E+01 2.09772716E+02 1.04660679E+02 1.03580945E+02 1.16187983E+02 0.00000000E+00 1.50233639E+01 1.66953734E+01 1.85196588E+01 1.03528777E+03 4.30253727E+01 9.31819600E+02 1.05161721E+02 1.93646595E+02 1.66355651E+02 1.59390376E+03 8.26175679E+02 9.14638042E+02 9.97075582E+02 0.00000000E+00 1.55724811E+02 1.68186548E+02 1.81468462E+02 1.14737423E+03 2.58405233E+02 4.31824675E+00 2.42242668E+02 1.67864823E+01 4.02144725E+01 3.24719551E+01 4.32373832E+02 2.14778698E+02 2.09807371E+02 2.36133213E+02 0.00000000E+00 2.98534933E+01 3.32906603E+01 3.70514656E+01 3.81844565E+02 7.36779156E+01 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 39 42 3 39 45 3 39 48 3 27 30 3 27 33 3 18 21 5 18 24 5 12 15 7 0 3 9 0 6 9 0 9 9 69 72 5 69 75 5 69 78 5 63 66 3 57 60 11 117 120 5 117 123 5 117 126 5 105 108 5 105 111 5 105 114 5 99 102 5 93 96 3 87 90 11 165 168 3 156 159 5 156 162 5 147 150 5 147 153 5 138 141 3 138 144 3 198 201 5 198 204 5 189 192 5 189 195 5 183 186 3 177 180 11 252 255 14 240 243 5 240 246 5 240 249 5 234 237 3 228 231 3 222 225 11 321 324 16 321 327 16 312 315 16 312 318 16 303 306 16 294 297 3 294 300 3 285 288 5 285 291 5 276 279 5 276 282 5 270 273 3 264 267 11 366 369 3 357 360 5 357 363 5 348 351 5 348 354 5 339 342 3 339 345 3 405 408 11 405 411 11 390 393 5 390 396 5 384 387 3 378 381 11 459 462 19 453 456 20 447 450 22 432 435 5 432 438 5 426 429 3 420 423 11 501 504 14 489 492 5 489 495 5 489 498 5 483 486 3 477 480 3 471 474 11 552 555 5 552 558 5 552 561 5 543 546 5 543 549 5 531 534 5 531 537 5 531 540 5 525 528 5 519 522 3 513 516 11 621 624 28 615 618 28 609 612 14 600 603 28 594 597 28 582 585 5 582 588 5 576 579 3 570 573 11 672 675 5 672 678 5 672 681 5 663 666 5 663 669 5 651 654 5 651 657 5 651 660 5 645 648 5 639 642 3 633 636 11 717 720 11 717 723 11 702 705 5 702 708 5 696 699 3 690 693 11 759 762 11 759 765 11 744 747 5 744 750 5 738 741 3 732 735 11 813 816 5 813 819 5 813 822 5 801 804 5 801 807 5 801 810 5 795 798 5 786 789 5 786 792 5 780 783 3 774 777 11 858 861 11 858 864 11 843 846 5 843 849 5 837 840 3 831 834 11 894 897 5 894 900 5 885 888 5 885 891 5 879 882 3 873 876 11 966 969 9 966 972 9 966 975 9 957 960 7 957 963 7 948 951 5 948 954 5 939 942 5 939 945 5 930 933 5 930 936 5 924 927 3 918 921 11 1023 1026 5 1023 1029 5 1023 1032 5 1014 1017 5 1014 1020 5 1002 1005 5 1002 1008 5 1002 1011 5 996 999 5 990 993 3 984 987 11 1089 1092 9 1089 1095 9 1089 1098 9 1080 1083 7 1080 1086 7 1071 1074 5 1071 1077 5 1062 1065 5 1062 1068 5 1053 1056 5 1053 1059 5 1047 1050 3 1041 1044 11 1155 1158 9 1155 1161 9 1155 1164 9 1146 1149 7 1146 1152 7 1137 1140 5 1137 1143 5 1128 1131 5 1128 1134 5 1119 1122 5 1119 1125 5 1113 1116 3 1107 1110 11 1185 1188 5 1185 1191 5 1179 1182 3 1173 1176 11 1230 1233 5 1230 1236 5 1221 1224 5 1221 1227 5 1215 1218 3 1209 1212 11 1293 1296 5 1293 1299 5 1293 1302 5 1281 1284 5 1281 1287 5 1281 1290 5 1275 1278 5 1266 1269 5 1266 1272 5 1260 1263 3 1254 1257 11 1359 1362 9 1359 1365 9 1359 1368 9 1350 1353 7 1350 1356 7 1341 1344 5 1341 1347 5 1332 1335 5 1332 1338 5 1323 1326 5 1323 1329 5 1317 1320 3 1311 1314 11 1425 1428 9 1425 1431 9 1425 1434 9 1416 1419 7 1416 1422 7 1407 1410 5 1407 1413 5 1398 1401 5 1398 1404 5 1389 1392 5 1389 1395 5 1383 1386 3 1377 1380 11 1464 1467 14 1455 1458 3 1455 1461 3 1449 1452 3 1443 1446 11 1515 1518 5 1515 1521 5 1515 1524 5 1503 1506 5 1503 1509 5 1503 1512 5 1497 1500 5 1488 1491 5 1488 1494 5 1482 1485 3 1476 1479 11 1584 1587 28 1578 1581 28 1572 1575 14 1563 1566 28 1557 1560 28 1545 1548 5 1545 1551 5 1539 1542 3 1533 1536 11 1608 1611 5 1608 1614 5 1608 1617 5 1602 1605 3 1596 1599 11 1665 1668 5 1665 1671 5 1665 1674 5 1656 1659 5 1656 1662 5 1644 1647 5 1644 1650 5 1644 1653 5 1638 1641 5 1632 1635 3 1626 1629 11 1731 1734 28 1725 1728 28 1719 1722 28 1713 1716 28 1707 1710 28 1695 1698 5 1695 1701 5 1689 1692 3 1683 1686 11 1764 1767 14 1755 1758 3 1755 1761 3 1749 1752 3 1743 1746 11 1812 1815 11 1812 1818 11 1797 1800 5 1797 1803 5 1788 1791 5 1788 1794 5 1782 1785 3 1776 1779 11 1875 1878 28 1869 1872 28 1863 1866 28 1857 1860 28 1851 1854 28 1839 1842 5 1839 1845 5 1833 1836 3 1827 1830 11 1893 1896 3 1893 1899 3 1887 1890 11 1944 1947 11 1944 1950 11 1929 1932 5 1929 1935 5 1920 1923 5 1920 1926 5 1914 1917 3 1908 1911 11 1998 2001 5 1998 2004 5 1998 2007 5 1989 1992 5 1989 1995 5 1977 1980 5 1977 1983 5 1977 1986 5 1971 1974 5 1965 1968 3 1959 1962 11 2055 2058 5 2055 2061 5 2055 2064 5 2043 2046 5 2043 2049 5 2043 2052 5 2037 2040 5 2028 2031 5 2028 2034 5 2022 2025 3 2016 2019 11 2085 2088 5 2085 2091 5 2079 2082 3 2073 2076 11 2148 2151 5 2148 2154 5 2148 2157 5 2139 2142 5 2139 2145 5 2127 2130 5 2127 2133 5 2127 2136 5 2121 2124 5 2115 2118 3 2109 2112 11 2205 2208 5 2205 2211 5 2205 2214 5 2193 2196 5 2193 2199 5 2193 2202 5 2187 2190 5 2178 2181 5 2178 2184 5 2172 2175 3 2166 2169 11 2253 2256 5 2253 2259 5 2253 2262 5 2241 2244 5 2241 2247 5 2241 2250 5 2235 2238 5 2229 2232 3 2223 2226 11 2292 2295 14 2283 2286 3 2283 2289 3 2277 2280 3 2271 2274 11 2361 2364 16 2361 2367 16 2352 2355 16 2352 2358 16 2343 2346 16 2334 2337 3 2334 2340 3 2325 2328 5 2325 2331 5 2316 2319 5 2316 2322 5 2310 2313 3 2304 2307 11 2397 2400 14 2388 2391 3 2388 2394 3 2382 2385 3 2376 2379 11 2448 2451 5 2448 2454 5 2448 2457 5 2436 2439 5 2436 2442 5 2436 2445 5 2430 2433 5 2421 2424 5 2421 2427 5 2415 2418 3 2409 2412 11 2514 2517 9 2514 2520 9 2514 2523 9 2505 2508 7 2505 2511 7 2496 2499 5 2496 2502 5 2487 2490 5 2487 2493 5 2478 2481 5 2478 2484 5 2472 2475 3 2466 2469 11 2565 2568 3 2565 2571 3 2565 2574 3 2553 2556 3 2553 2559 3 2544 2547 5 2544 2550 5 2538 2541 3 2532 2535 11 2640 2643 16 2640 2646 16 2631 2634 16 2631 2637 16 2622 2625 16 2613 2616 3 2613 2619 3 2604 2607 5 2604 2610 5 2595 2598 5 2595 2601 5 2589 2592 3 2583 2586 11 2661 2664 3 2661 2667 3 2655 2658 11 2712 2715 11 2712 2718 11 2697 2700 5 2697 2703 5 2688 2691 5 2688 2694 5 2682 2685 3 2676 2679 11 2739 2742 5 2739 2745 5 2739 2748 5 2733 2736 3 2727 2730 11 2805 2808 28 2799 2802 28 2793 2796 28 2787 2790 28 2781 2784 28 2769 2772 5 2769 2775 5 2763 2766 3 2757 2760 11 2847 2850 5 2847 2853 5 2847 2856 5 2835 2838 5 2835 2841 5 2835 2844 5 2829 2832 5 2823 2826 3 2817 2820 11 2904 2907 5 2904 2910 5 2904 2913 5 2895 2898 5 2895 2901 5 2883 2886 5 2883 2889 5 2883 2892 5 2877 2880 5 2871 2874 3 2865 2868 11 2970 2973 28 2964 2967 28 2958 2961 28 2952 2955 28 2946 2949 28 2934 2937 5 2934 2940 5 2928 2931 3 2922 2925 11 3030 3033 9 3030 3036 9 3030 3039 9 3021 3024 7 3021 3027 7 3012 3015 5 3012 3018 5 3003 3006 5 3003 3009 5 2994 2997 5 2994 3000 5 2988 2991 3 2982 2985 11 3069 3072 5 3069 3075 5 3060 3063 5 3060 3066 5 3054 3057 3 3048 3051 11 3123 3126 5 3123 3129 5 3123 3132 5 3111 3114 5 3111 3117 5 3111 3120 5 3105 3108 5 3099 3102 3 3093 3096 11 3162 3165 14 3153 3156 3 3153 3159 3 3147 3150 3 3141 3144 11 3195 3198 14 3186 3189 3 3186 3192 3 3180 3183 3 3174 3177 11 3219 3222 5 3219 3225 5 3219 3228 5 3213 3216 3 3207 3210 11 3267 3270 14 3255 3258 5 3255 3261 5 3255 3264 5 3249 3252 3 3243 3246 3 3237 3240 11 3306 3309 11 3306 3312 11 3291 3294 5 3291 3297 5 3285 3288 3 3279 3282 11 3333 3336 5 3333 3339 5 3333 3342 5 3327 3330 3 3321 3324 11 3390 3393 5 3390 3396 5 3390 3399 5 3378 3381 5 3378 3384 5 3378 3387 5 3372 3375 5 3363 3366 5 3363 3369 5 3357 3360 3 3351 3354 11 3465 3468 16 3465 3471 16 3456 3459 16 3456 3462 16 3447 3450 16 3438 3441 3 3438 3444 3 3429 3432 5 3429 3435 5 3420 3423 5 3420 3426 5 3414 3417 3 3408 3411 11 3501 3504 14 3492 3495 3 3492 3498 3 3486 3489 3 3480 3483 11 3546 3549 3 3546 3552 3 3546 3555 3 3534 3537 3 3534 3540 3 3525 3528 5 3525 3531 5 3519 3522 3 3513 3516 11 3600 3603 11 3600 3606 11 3585 3588 5 3585 3591 5 3576 3579 5 3576 3582 5 3570 3573 3 3564 3567 11 3621 3624 3 3621 3627 3 3615 3618 11 3684 3687 28 3678 3681 28 3672 3675 28 3666 3669 28 3660 3663 28 3648 3651 5 3648 3654 5 3642 3645 3 3636 3639 11 3726 3729 3 3717 3720 5 3717 3723 5 3708 3711 5 3708 3714 5 3699 3702 3 3699 3705 3 3786 3789 28 3780 3783 28 3774 3777 28 3768 3771 28 3762 3765 28 3750 3753 5 3750 3756 5 3744 3747 3 3738 3741 11 3849 3852 28 3843 3846 28 3837 3840 14 3828 3831 28 3822 3825 28 3810 3813 5 3810 3816 5 3804 3807 3 3798 3801 11 3873 3876 5 3873 3879 5 3867 3870 3 3861 3864 11 3945 3948 9 3945 3951 9 3945 3954 9 3936 3939 7 3936 3942 7 3927 3930 5 3927 3933 5 3918 3921 5 3918 3924 5 3909 3912 5 3909 3915 5 3903 3906 3 3897 3900 11 3993 3996 3 3984 3987 5 3984 3990 5 3975 3978 5 3975 3981 5 3966 3969 3 3966 3972 3 4038 4041 3 4038 4044 3 4038 4047 3 4026 4029 3 4026 4032 3 4017 4020 5 4017 4023 5 4011 4014 3 4005 4008 11 4113 4116 16 4113 4119 16 4104 4107 16 4104 4110 16 4095 4098 16 4086 4089 3 4086 4092 3 4077 4080 5 4077 4083 5 4068 4071 5 4068 4074 5 4062 4065 3 4056 4059 11 4167 4170 5 4167 4173 5 4167 4176 5 4158 4161 5 4158 4164 5 4146 4149 5 4146 4152 5 4146 4155 5 4140 4143 5 4134 4137 3 4128 4131 11 4221 4224 11 4221 4227 11 4206 4209 5 4206 4212 5 4197 4200 5 4197 4203 5 4191 4194 3 4185 4188 11 4287 4290 28 4281 4284 28 4275 4278 14 4266 4269 28 4260 4263 28 4248 4251 5 4248 4254 5 4242 4245 3 4236 4239 11 4311 4314 5 4311 4317 5 4311 4320 5 4305 4308 3 4299 4302 11 4377 4380 9 4377 4383 9 4377 4386 9 4368 4371 7 4368 4374 7 4359 4362 5 4359 4365 5 4350 4353 5 4350 4356 5 4341 4344 5 4341 4347 5 4335 4338 3 4329 4332 11 4425 4428 14 4413 4416 5 4413 4419 5 4413 4422 5 4407 4410 3 4401 4404 3 4395 4398 11 4449 4452 5 4449 4455 5 4443 4446 3 4437 4440 11 4494 4497 14 4485 4488 3 4485 4491 3 4479 4482 3 4473 4476 11 4518 4521 5 4518 4524 5 4512 4515 3 4506 4509 11 4581 4584 5 4581 4587 5 4581 4590 5 4572 4575 5 4572 4578 5 4560 4563 5 4560 4566 5 4560 4569 5 4554 4557 5 4548 4551 3 4542 4545 11 4638 4641 5 4638 4644 5 4638 4647 5 4629 4632 5 4629 4635 5 4617 4620 5 4617 4623 5 4617 4626 5 4611 4614 5 4605 4608 3 4599 4602 11 4668 4671 5 4668 4674 5 4668 4677 5 4662 4665 3 4656 4659 11 4734 4737 9 4734 4740 9 4734 4743 9 4725 4728 7 4725 4731 7 4716 4719 5 4716 4722 5 4707 4710 5 4707 4713 5 4698 4701 5 4698 4704 5 4692 4695 3 4686 4689 11 4785 4788 3 4785 4791 3 4785 4794 3 4773 4776 3 4773 4779 3 4764 4767 5 4764 4770 5 4758 4761 3 4752 4755 11 4851 4854 9 4851 4857 9 4851 4860 9 4842 4845 7 4842 4848 7 4833 4836 5 4833 4839 5 4824 4827 5 4824 4830 5 4815 4818 5 4815 4821 5 4809 4812 3 4803 4806 11 4875 4878 3 4875 4881 3 4869 4872 11 4920 4923 14 4908 4911 5 4908 4914 5 4908 4917 5 4902 4905 3 4896 4899 3 4890 4893 11 4980 4983 28 4974 4977 28 4968 4971 28 4962 4965 28 4956 4959 28 4944 4947 5 4944 4950 5 4938 4941 3 4932 4935 11 5022 5025 5 5022 5028 5 5022 5031 5 5010 5013 5 5010 5016 5 5010 5019 5 5004 5007 5 4998 5001 3 4992 4995 11 5076 5079 34 5076 5082 34 5106 5109 34 5106 5112 34 5136 5139 34 5136 5142 34 5166 5169 34 5166 5172 34 5196 5199 34 5196 5202 34 5226 5229 34 5226 5232 34 5256 5259 34 5256 5262 34 5286 5289 34 5286 5292 34 5316 5319 34 5316 5322 34 5346 5349 34 5346 5352 34 5376 5379 34 5376 5382 34 5406 5409 34 5406 5412 34 5436 5439 34 5436 5442 34 5466 5469 34 5466 5472 34 5496 5499 34 5496 5502 34 5526 5529 34 5526 5532 34 5556 5559 34 5556 5562 34 5586 5589 34 5586 5592 34 5616 5619 34 5616 5622 34 5646 5649 34 5646 5652 34 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 51 54 1 51 57 2 36 39 4 27 36 4 18 27 6 12 18 6 12 51 8 0 12 10 81 84 1 81 87 2 63 69 6 63 81 8 57 63 12 129 132 1 129 135 2 99 105 6 99 117 6 93 99 6 93 129 8 87 93 12 171 174 1 171 177 2 165 171 8 156 165 6 147 156 6 138 147 6 135 138 12 135 165 12 216 219 1 216 222 2 207 210 13 207 213 13 198 207 8 189 198 6 183 189 6 183 216 8 177 183 12 258 261 1 258 264 2 234 240 6 234 252 15 228 234 6 228 258 8 222 228 12 330 333 1 330 336 2 309 312 17 309 321 17 303 309 17 294 303 18 285 294 6 276 285 6 270 276 6 270 330 8 264 270 12 372 375 1 372 378 2 366 372 8 357 366 6 348 357 6 339 348 6 336 339 12 336 366 12 414 417 1 414 420 2 399 402 1 399 405 2 390 399 8 384 390 6 384 414 8 378 384 12 465 468 1 465 471 2 453 459 21 447 453 23 444 447 24 441 444 25 441 459 26 432 441 27 426 432 6 426 465 8 420 426 12 507 510 1 507 513 2 483 489 6 483 501 15 477 483 6 477 507 8 471 477 12 564 567 1 564 570 2 543 552 6 525 531 6 525 543 6 519 525 6 519 564 8 513 519 12 627 630 1 627 633 2 615 621 29 606 609 30 606 615 31 600 606 31 594 600 29 591 594 29 591 621 29 582 591 32 576 582 6 576 627 8 570 576 12 684 687 1 684 690 2 663 672 6 645 651 6 645 663 6 639 645 6 639 684 8 633 639 12 726 729 1 726 732 2 711 714 1 711 717 2 702 711 8 696 702 6 696 726 8 690 696 12 768 771 1 768 774 2 753 756 1 753 759 2 744 753 8 738 744 6 738 768 8 732 738 12 825 828 1 825 831 2 795 801 6 795 813 6 786 795 6 780 786 6 780 825 8 774 780 12 867 870 1 867 873 2 852 855 1 852 858 2 843 852 8 837 843 6 837 867 8 831 837 12 912 915 1 912 918 2 903 906 13 903 909 13 894 903 8 885 894 6 879 885 6 879 912 8 873 879 12 978 981 1 978 984 2 957 966 10 948 957 6 939 948 6 930 939 6 924 930 6 924 978 8 918 924 12 1035 1038 1 1035 1041 2 1014 1023 6 996 1002 6 996 1014 6 990 996 6 990 1035 8 984 990 12 1101 1104 1 1101 1107 2 1080 1089 10 1071 1080 6 1062 1071 6 1053 1062 6 1047 1053 6 1047 1101 8 1041 1047 12 1167 1170 1 1167 1173 2 1146 1155 10 1137 1146 6 1128 1137 6 1119 1128 6 1113 1119 6 1113 1167 8 1107 1113 12 1203 1206 1 1203 1209 2 1194 1197 13 1194 1200 13 1185 1194 8 1179 1185 6 1179 1203 8 1173 1179 12 1248 1251 1 1248 1254 2 1239 1242 13 1239 1245 13 1230 1239 8 1221 1230 6 1215 1221 6 1215 1248 8 1209 1215 12 1305 1308 1 1305 1311 2 1275 1281 6 1275 1293 6 1266 1275 6 1260 1266 6 1260 1305 8 1254 1260 12 1371 1374 1 1371 1377 2 1350 1359 10 1341 1350 6 1332 1341 6 1323 1332 6 1317 1323 6 1317 1371 8 1311 1317 12 1437 1440 1 1437 1443 2 1416 1425 10 1407 1416 6 1398 1407 6 1389 1398 6 1383 1389 6 1383 1437 8 1377 1383 12 1470 1473 1 1470 1476 2 1455 1464 15 1449 1455 6 1449 1470 8 1443 1449 12 1527 1530 1 1527 1533 2 1497 1503 6 1497 1515 6 1488 1497 6 1482 1488 6 1482 1527 8 1476 1482 12 1590 1593 1 1590 1596 2 1578 1584 29 1569 1572 30 1569 1578 31 1563 1569 31 1557 1563 29 1554 1557 29 1554 1584 29 1545 1554 32 1539 1545 6 1539 1590 8 1533 1539 12 1620 1623 1 1620 1626 2 1602 1608 6 1602 1620 8 1596 1602 12 1677 1680 1 1677 1683 2 1656 1665 6 1638 1644 6 1638 1656 6 1632 1638 6 1632 1677 8 1626 1632 12 1737 1740 1 1737 1743 2 1725 1731 29 1719 1725 29 1713 1719 29 1707 1713 29 1704 1707 29 1704 1731 29 1695 1704 32 1689 1695 6 1689 1737 8 1683 1689 12 1770 1773 1 1770 1776 2 1755 1764 15 1749 1755 6 1749 1770 8 1743 1749 12 1821 1824 1 1821 1827 2 1806 1809 1 1806 1812 2 1797 1806 8 1788 1797 6 1782 1788 6 1782 1821 8 1776 1782 12 1881 1884 1 1881 1887 2 1869 1875 29 1863 1869 29 1857 1863 29 1851 1857 29 1848 1851 29 1848 1875 29 1839 1848 32 1833 1839 6 1833 1881 8 1827 1833 12 1902 1905 1 1902 1908 2 1893 1902 8 1887 1893 12 1953 1956 1 1953 1959 2 1938 1941 1 1938 1944 2 1929 1938 8 1920 1929 6 1914 1920 6 1914 1953 8 1908 1914 12 2010 2013 1 2010 2016 2 1989 1998 6 1971 1977 6 1971 1989 6 1965 1971 6 1965 2010 8 1959 1965 12 2067 2070 1 2067 2073 2 2037 2043 6 2037 2055 6 2028 2037 6 2022 2028 6 2022 2067 8 2016 2022 12 2103 2106 1 2103 2109 2 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4731 4725 4734 19 4728 4725 4731 67 4728 4725 4734 19 4725 4734 4737 17 4725 4734 4740 17 4725 4734 4743 17 4722 4716 4725 7 4719 4716 4722 8 4719 4716 4725 7 4716 4725 4728 12 4716 4725 4731 12 4713 4707 4716 7 4710 4707 4713 8 4710 4707 4716 7 4707 4716 4719 7 4707 4716 4722 7 4704 4698 4707 7 4701 4698 4704 8 4701 4698 4707 7 4698 4707 4710 7 4698 4707 4713 7 4695 4692 4698 10 4695 4692 4746 22 4692 4698 4701 7 4692 4698 4704 7 4689 4686 4692 23 4686 4692 4695 24 4797 4803 4806 2 4791 4785 4794 4 4788 4785 4791 4 4788 4785 4794 4 4782 4785 4788 5 4782 4785 4791 5 4782 4785 4794 5 4779 4773 4782 5 4776 4773 4779 4 4776 4773 4782 5 4770 4764 4773 7 4767 4764 4770 8 4767 4764 4773 7 4764 4773 4776 10 4764 4773 4779 10 4761 4758 4764 10 4761 4758 4797 22 4758 4764 4767 7 4758 4764 4770 7 4755 4752 4758 23 4752 4758 4761 24 4863 4869 4872 2 4857 4851 4860 18 4854 4851 4857 18 4854 4851 4860 18 4848 4842 4851 19 4845 4842 4848 67 4845 4842 4851 19 4842 4851 4854 17 4842 4851 4857 17 4842 4851 4860 17 4839 4833 4842 7 4836 4833 4839 8 4836 4833 4842 7 4833 4842 4845 12 4833 4842 4848 12 4830 4824 4833 7 4827 4824 4830 8 4827 4824 4833 7 4824 4833 4836 7 4824 4833 4839 7 4821 4815 4824 7 4818 4815 4821 8 4818 4815 4824 7 4815 4824 4827 7 4815 4824 4830 7 4812 4809 4815 10 4812 4809 4863 22 4809 4815 4818 7 4809 4815 4821 7 4806 4803 4809 23 4803 4809 4812 24 4884 4890 4893 2 4881 4875 4884 22 4878 4875 4881 4 4878 4875 4884 22 4872 4869 4875 23 4869 4875 4878 24 4869 4875 4881 24 4926 4932 4935 2 4914 4908 4917 8 4911 4908 4914 8 4911 4908 4917 8 4905 4902 4908 10 4905 4902 4920 32 4902 4908 4911 7 4902 4908 4914 7 4902 4908 4917 7 4902 4920 4923 33 4899 4896 4902 10 4899 4896 4926 22 4896 4902 4905 10 4893 4890 4896 23 4890 4896 4899 24 4986 4992 4995 2 4977 4974 4980 57 4974 4980 4983 57 4971 4968 4974 57 4968 4974 4977 57 4965 4962 4968 57 4962 4968 4971 57 4959 4956 4962 57 4956 4962 4965 57 4953 4956 4959 57 4953 4980 4983 57 4950 4944 4953 64 4947 4944 4950 8 4947 4944 4953 64 4941 4938 4944 10 4941 4938 4986 22 4938 4944 4947 7 4938 4944 4950 7 4935 4932 4938 23 4932 4938 4941 24 5028 5022 5031 8 5025 5022 5028 8 5025 5022 5031 8 5016 5010 5019 8 5013 5010 5016 8 5013 5010 5019 8 5007 5004 5010 7 5007 5004 5022 7 5004 5010 5013 7 5004 5010 5016 7 5004 5010 5019 7 5004 5022 5025 7 5004 5022 5028 7 5004 5022 5031 7 5001 4998 5004 10 5001 4998 5034 22 4998 5004 5007 7 4995 4992 4998 23 4992 4998 5001 24 5082 5076 5085 69 5079 5076 5082 70 5079 5076 5085 69 5070 5076 5079 69 5070 5076 5082 69 5112 5106 5115 69 5109 5106 5112 70 5109 5106 5115 69 5100 5106 5109 69 5100 5106 5112 69 5142 5136 5145 69 5139 5136 5142 70 5139 5136 5145 69 5130 5136 5139 69 5130 5136 5142 69 5172 5166 5175 69 5169 5166 5172 70 5169 5166 5175 69 5160 5166 5169 69 5160 5166 5172 69 5202 5196 5205 69 5199 5196 5202 70 5199 5196 5205 69 5190 5196 5199 69 5190 5196 5202 69 5232 5226 5235 69 5229 5226 5232 70 5229 5226 5235 69 5220 5226 5229 69 5220 5226 5232 69 5262 5256 5265 69 5259 5256 5262 70 5259 5256 5265 69 5250 5256 5259 69 5250 5256 5262 69 5292 5286 5295 69 5289 5286 5292 70 5289 5286 5295 69 5280 5286 5289 69 5280 5286 5292 69 5322 5316 5325 69 5319 5316 5322 70 5319 5316 5325 69 5310 5316 5319 69 5310 5316 5322 69 5352 5346 5355 69 5349 5346 5352 70 5349 5346 5355 69 5340 5346 5349 69 5340 5346 5352 69 5382 5376 5385 69 5379 5376 5382 70 5379 5376 5385 69 5370 5376 5379 69 5370 5376 5382 69 5412 5406 5415 69 5409 5406 5412 70 5409 5406 5415 69 5400 5406 5409 69 5400 5406 5412 69 5442 5436 5445 69 5439 5436 5442 70 5439 5436 5445 69 5430 5436 5439 69 5430 5436 5442 69 5472 5466 5475 69 5469 5466 5472 70 5469 5466 5475 69 5460 5466 5469 69 5460 5466 5472 69 5502 5496 5505 69 5499 5496 5502 70 5499 5496 5505 69 5490 5496 5499 69 5490 5496 5502 69 5532 5526 5535 69 5529 5526 5532 70 5529 5526 5535 69 5520 5526 5529 69 5520 5526 5532 69 5562 5556 5565 69 5559 5556 5562 70 5559 5556 5565 69 5550 5556 5559 69 5550 5556 5562 69 5592 5586 5595 69 5589 5586 5592 70 5589 5586 5595 69 5580 5586 5589 69 5580 5586 5592 69 5622 5616 5625 69 5619 5616 5622 70 5619 5616 5625 69 5610 5616 5619 69 5610 5616 5622 69 5652 5646 5655 69 5649 5646 5652 70 5649 5646 5655 69 5640 5646 5649 69 5640 5646 5652 69 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 54 51 57 1 51 57 63 3 27 36 39 6 18 12 51 9 18 27 36 11 12 18 27 14 12 51 54 15 12 51 57 16 0 12 18 20 0 12 51 21 84 81 87 1 81 87 93 3 69 63 81 9 63 81 84 15 63 81 87 16 57 63 69 25 57 63 81 26 132 129 135 1 129 135 138 3 129 135 165 3 105 99 117 14 99 93 129 9 93 99 105 14 93 99 117 14 93 129 132 15 93 129 135 16 87 93 99 25 87 93 129 26 174 171 177 1 171 177 183 3 165 171 174 15 165 171 177 16 156 165 171 9 147 156 165 14 138 135 165 27 138 147 156 14 135 138 147 25 135 165 156 25 135 165 171 26 219 216 222 1 216 222 228 3 210 207 213 28 198 207 210 30 198 207 213 30 189 183 216 9 189 198 207 9 183 189 198 14 183 216 219 15 183 216 222 16 177 183 189 25 177 183 216 26 261 258 264 1 258 264 270 3 240 234 252 31 234 228 258 9 228 234 240 14 228 234 252 31 228 258 261 15 228 258 264 16 222 228 234 25 222 228 258 26 333 330 336 1 330 336 339 3 330 336 366 3 312 309 321 35 303 309 312 35 303 309 321 35 294 303 309 39 285 294 303 40 276 270 330 9 276 285 294 14 270 276 285 14 270 330 333 15 270 330 336 16 264 270 276 25 264 270 330 26 375 372 378 1 372 378 384 3 366 372 375 15 366 372 378 16 357 366 372 9 348 357 366 14 339 336 366 27 339 348 357 14 336 339 348 25 336 366 357 25 336 366 372 26 417 414 420 1 414 420 426 3 402 399 405 1 390 384 414 9 390 399 402 15 390 399 405 16 384 390 399 9 384 414 417 15 384 414 420 16 378 384 390 25 378 384 414 26 468 465 471 1 465 471 477 3 447 453 459 46 444 441 459 47 444 447 453 49 441 444 447 50 441 459 453 51 432 426 465 9 432 441 444 54 432 441 459 55 426 432 441 56 426 465 468 15 426 465 471 16 420 426 432 25 420 426 465 26 510 507 513 1 507 513 519 3 489 483 501 31 483 477 507 9 477 483 489 14 477 483 501 31 477 507 510 15 477 507 513 16 471 477 483 25 471 477 507 26 567 564 570 1 564 570 576 3 531 525 543 14 525 519 564 9 525 543 552 14 519 525 531 14 519 525 543 14 519 564 567 15 519 564 570 16 513 519 525 25 513 519 564 26 630 627 633 1 627 633 639 3 609 606 615 58 606 615 621 61 600 606 609 58 600 606 615 62 594 591 621 63 594 600 606 61 591 594 600 63 591 621 615 63 582 576 627 9 582 591 594 65 582 591 621 65 576 582 591 66 576 627 630 15 576 627 633 16 570 576 582 25 570 576 627 26 687 684 690 1 684 690 696 3 651 645 663 14 645 639 684 9 645 663 672 14 639 645 651 14 639 645 663 14 639 684 687 15 639 684 690 16 633 639 645 25 633 639 684 26 729 726 732 1 726 732 738 3 714 711 717 1 702 696 726 9 702 711 714 15 702 711 717 16 696 702 711 9 696 726 729 15 696 726 732 16 690 696 702 25 690 696 726 26 771 768 774 1 768 774 780 3 756 753 759 1 744 738 768 9 744 753 756 15 744 753 759 16 738 744 753 9 738 768 771 15 738 768 774 16 732 738 744 25 732 738 768 26 828 825 831 1 825 831 837 3 801 795 813 14 786 780 825 9 786 795 801 14 786 795 813 14 780 786 795 14 780 825 828 15 780 825 831 16 774 780 786 25 774 780 825 26 870 867 873 1 867 873 879 3 855 852 858 1 843 837 867 9 843 852 855 15 843 852 858 16 837 843 852 9 837 867 870 15 837 867 873 16 831 837 843 25 831 837 867 26 915 912 918 1 912 918 924 3 906 903 909 28 894 903 906 30 894 903 909 30 885 879 912 9 885 894 903 9 879 885 894 14 879 912 915 15 879 912 918 16 873 879 885 25 873 879 912 26 981 978 984 1 978 984 990 3 948 957 966 20 939 948 957 14 930 924 978 9 930 939 948 14 924 930 939 14 924 978 981 15 924 978 984 16 918 924 930 25 918 924 978 26 1038 1035 1041 1 1035 1041 1047 3 1002 996 1014 14 996 990 1035 9 996 1014 1023 14 990 996 1002 14 990 996 1014 14 990 1035 1038 15 990 1035 1041 16 984 990 996 25 984 990 1035 26 1104 1101 1107 1 1101 1107 1113 3 1071 1080 1089 20 1062 1071 1080 14 1053 1047 1101 9 1053 1062 1071 14 1047 1053 1062 14 1047 1101 1104 15 1047 1101 1107 16 1041 1047 1053 25 1041 1047 1101 26 1170 1167 1173 1 1167 1173 1179 3 1137 1146 1155 20 1128 1137 1146 14 1119 1113 1167 9 1119 1128 1137 14 1113 1119 1128 14 1113 1167 1170 15 1113 1167 1173 16 1107 1113 1119 25 1107 1113 1167 26 1206 1203 1209 1 1203 1209 1215 3 1197 1194 1200 28 1185 1179 1203 9 1185 1194 1197 30 1185 1194 1200 30 1179 1185 1194 9 1179 1203 1206 15 1179 1203 1209 16 1173 1179 1185 25 1173 1179 1203 26 1251 1248 1254 1 1248 1254 1260 3 1242 1239 1245 28 1230 1239 1242 30 1230 1239 1245 30 1221 1215 1248 9 1221 1230 1239 9 1215 1221 1230 14 1215 1248 1251 15 1215 1248 1254 16 1209 1215 1221 25 1209 1215 1248 26 1308 1305 1311 1 1305 1311 1317 3 1281 1275 1293 14 1266 1260 1305 9 1266 1275 1281 14 1266 1275 1293 14 1260 1266 1275 14 1260 1305 1308 15 1260 1305 1311 16 1254 1260 1266 25 1254 1260 1305 26 1374 1371 1377 1 1371 1377 1383 3 1341 1350 1359 20 1332 1341 1350 14 1323 1317 1371 9 1323 1332 1341 14 1317 1323 1332 14 1317 1371 1374 15 1317 1371 1377 16 1311 1317 1323 25 1311 1317 1371 26 1440 1437 1443 1 1437 1443 1449 3 1407 1416 1425 20 1398 1407 1416 14 1389 1383 1437 9 1389 1398 1407 14 1383 1389 1398 14 1383 1437 1440 15 1383 1437 1443 16 1377 1383 1389 25 1377 1383 1437 26 1473 1470 1476 1 1470 1476 1482 3 1455 1449 1470 9 1449 1455 1464 31 1449 1470 1473 15 1449 1470 1476 16 1443 1449 1455 25 1443 1449 1470 26 1530 1527 1533 1 1527 1533 1539 3 1503 1497 1515 14 1488 1482 1527 9 1488 1497 1503 14 1488 1497 1515 14 1482 1488 1497 14 1482 1527 1530 15 1482 1527 1533 16 1476 1482 1488 25 1476 1482 1527 26 1593 1590 1596 1 1590 1596 1602 3 1572 1569 1578 58 1569 1578 1584 61 1563 1569 1572 58 1563 1569 1578 62 1557 1554 1584 63 1557 1563 1569 61 1554 1557 1563 63 1554 1584 1578 63 1545 1539 1590 9 1545 1554 1557 65 1545 1554 1584 65 1539 1545 1554 66 1539 1590 1593 15 1539 1590 1596 16 1533 1539 1545 25 1533 1539 1590 26 1623 1620 1626 1 1620 1626 1632 3 1608 1602 1620 9 1602 1620 1623 15 1602 1620 1626 16 1596 1602 1608 25 1596 1602 1620 26 1680 1677 1683 1 1677 1683 1689 3 1644 1638 1656 14 1638 1632 1677 9 1638 1656 1665 14 1632 1638 1644 14 1632 1638 1656 14 1632 1677 1680 15 1632 1677 1683 16 1626 1632 1638 25 1626 1632 1677 26 1740 1737 1743 1 1737 1743 1749 3 1719 1725 1731 63 1713 1719 1725 63 1707 1704 1731 63 1707 1713 1719 63 1704 1707 1713 63 1704 1731 1725 63 1695 1689 1737 9 1695 1704 1707 65 1695 1704 1731 65 1689 1695 1704 66 1689 1737 1740 15 1689 1737 1743 16 1683 1689 1695 25 1683 1689 1737 26 1773 1770 1776 1 1770 1776 1782 3 1755 1749 1770 9 1749 1755 1764 31 1749 1770 1773 15 1749 1770 1776 16 1743 1749 1755 25 1743 1749 1770 26 1824 1821 1827 1 1821 1827 1833 3 1809 1806 1812 1 1797 1806 1809 15 1797 1806 1812 16 1788 1782 1821 9 1788 1797 1806 9 1782 1788 1797 14 1782 1821 1824 15 1782 1821 1827 16 1776 1782 1788 25 1776 1782 1821 26 1884 1881 1887 1 1881 1887 1893 3 1863 1869 1875 63 1857 1863 1869 63 1851 1848 1875 63 1851 1857 1863 63 1848 1851 1857 63 1848 1875 1869 63 1839 1833 1881 9 1839 1848 1851 65 1839 1848 1875 65 1833 1839 1848 66 1833 1881 1884 15 1833 1881 1887 16 1827 1833 1839 25 1827 1833 1881 26 1905 1902 1908 1 1902 1908 1914 3 1893 1902 1905 15 1893 1902 1908 16 1887 1893 1902 26 1956 1953 1959 1 1953 1959 1965 3 1941 1938 1944 1 1929 1938 1941 15 1929 1938 1944 16 1920 1914 1953 9 1920 1929 1938 9 1914 1920 1929 14 1914 1953 1956 15 1914 1953 1959 16 1908 1914 1920 25 1908 1914 1953 26 2013 2010 2016 1 2010 2016 2022 3 1977 1971 1989 14 1971 1965 2010 9 1971 1989 1998 14 1965 1971 1977 14 1965 1971 1989 14 1965 2010 2013 15 1965 2010 2016 16 1959 1965 1971 25 1959 1965 2010 26 2070 2067 2073 1 2067 2073 2079 3 2043 2037 2055 14 2028 2022 2067 9 2028 2037 2043 14 2028 2037 2055 14 2022 2028 2037 14 2022 2067 2070 15 2022 2067 2073 16 2016 2022 2028 25 2016 2022 2067 26 2106 2103 2109 1 2103 2109 2115 3 2097 2094 2100 28 2085 2079 2103 9 2085 2094 2097 30 2085 2094 2100 30 2079 2085 2094 9 2079 2103 2106 15 2079 2103 2109 16 2073 2079 2085 25 2073 2079 2103 26 2163 2160 2166 1 2160 2166 2172 3 2127 2121 2139 14 2121 2115 2160 9 2121 2139 2148 14 2115 2121 2127 14 2115 2121 2139 14 2115 2160 2163 15 2115 2160 2166 16 2109 2115 2121 25 2109 2115 2160 26 2220 2217 2223 1 2217 2223 2229 3 2193 2187 2205 14 2178 2172 2217 9 2178 2187 2193 14 2178 2187 2205 14 2172 2178 2187 14 2172 2217 2220 15 2172 2217 2223 16 2166 2172 2178 25 2166 2172 2217 26 2268 2265 2271 1 2265 2271 2277 3 2241 2235 2253 14 2235 2229 2265 9 2229 2235 2241 14 2229 2235 2253 14 2229 2265 2268 15 2229 2265 2271 16 2223 2229 2235 25 2223 2229 2265 26 2301 2298 2304 1 2298 2304 2310 3 2283 2277 2298 9 2277 2283 2292 31 2277 2298 2301 15 2277 2298 2304 16 2271 2277 2283 25 2271 2277 2298 26 2373 2370 2376 1 2370 2376 2382 3 2352 2349 2361 35 2343 2349 2352 35 2343 2349 2361 35 2334 2343 2349 39 2325 2334 2343 40 2316 2310 2370 9 2316 2325 2334 14 2310 2316 2325 14 2310 2370 2373 15 2310 2370 2376 16 2304 2310 2316 25 2304 2310 2370 26 2406 2403 2409 1 2403 2409 2415 3 2388 2382 2403 9 2382 2388 2397 31 2382 2403 2406 15 2382 2403 2409 16 2376 2382 2388 25 2376 2382 2403 26 2463 2460 2466 1 2460 2466 2472 3 2436 2430 2448 14 2421 2415 2460 9 2421 2430 2436 14 2421 2430 2448 14 2415 2421 2430 14 2415 2460 2463 15 2415 2460 2466 16 2409 2415 2421 25 2409 2415 2460 26 2529 2526 2532 1 2526 2532 2538 3 2496 2505 2514 20 2487 2496 2505 14 2478 2472 2526 9 2478 2487 2496 14 2472 2478 2487 14 2472 2526 2529 15 2472 2526 2532 16 2466 2472 2478 25 2466 2472 2526 26 2580 2577 2583 1 2577 2583 2589 3 2553 2562 2565 6 2544 2538 2577 9 2544 2553 2562 11 2538 2544 2553 14 2538 2577 2580 15 2538 2577 2583 16 2532 2538 2544 25 2532 2538 2577 26 2652 2649 2655 1 2649 2655 2661 3 2631 2628 2640 35 2622 2628 2631 35 2622 2628 2640 35 2613 2622 2628 39 2604 2613 2622 40 2595 2589 2649 9 2595 2604 2613 14 2589 2595 2604 14 2589 2649 2652 15 2589 2649 2655 16 2583 2589 2595 25 2583 2589 2649 26 2673 2670 2676 1 2670 2676 2682 3 2661 2670 2673 15 2661 2670 2676 16 2655 2661 2670 26 2724 2721 2727 1 2721 2727 2733 3 2709 2706 2712 1 2697 2706 2709 15 2697 2706 2712 16 2688 2682 2721 9 2688 2697 2706 9 2682 2688 2697 14 2682 2721 2724 15 2682 2721 2727 16 2676 2682 2688 25 2676 2682 2721 26 2754 2751 2757 1 2751 2757 2763 3 2739 2733 2751 9 2733 2751 2754 15 2733 2751 2757 16 2727 2733 2739 25 2727 2733 2751 26 2814 2811 2817 1 2811 2817 2823 3 2793 2799 2805 63 2787 2793 2799 63 2781 2778 2805 63 2781 2787 2793 63 2778 2781 2787 63 2778 2805 2799 63 2769 2763 2811 9 2769 2778 2781 65 2769 2778 2805 65 2763 2769 2778 66 2763 2811 2814 15 2763 2811 2817 16 2757 2763 2769 25 2757 2763 2811 26 2862 2859 2865 1 2859 2865 2871 3 2835 2829 2847 14 2829 2823 2859 9 2823 2829 2835 14 2823 2829 2847 14 2823 2859 2862 15 2823 2859 2865 16 2817 2823 2829 25 2817 2823 2859 26 2919 2916 2922 1 2916 2922 2928 3 2883 2877 2895 14 2877 2871 2916 9 2877 2895 2904 14 2871 2877 2883 14 2871 2877 2895 14 2871 2916 2919 15 2871 2916 2922 16 2865 2871 2877 25 2865 2871 2916 26 2979 2976 2982 1 2976 2982 2988 3 2958 2964 2970 63 2952 2958 2964 63 2946 2943 2970 63 2946 2952 2958 63 2943 2946 2952 63 2943 2970 2964 63 2934 2928 2976 9 2934 2943 2946 65 2934 2943 2970 65 2928 2934 2943 66 2928 2976 2979 15 2928 2976 2982 16 2922 2928 2934 25 2922 2928 2976 26 3045 3042 3048 1 3042 3048 3054 3 3012 3021 3030 20 3003 3012 3021 14 2994 2988 3042 9 2994 3003 3012 14 2988 2994 3003 14 2988 3042 3045 15 2988 3042 3048 16 2982 2988 2994 25 2982 2988 3042 26 3090 3087 3093 1 3087 3093 3099 3 3081 3078 3084 28 3069 3078 3081 30 3069 3078 3084 30 3060 3054 3087 9 3060 3069 3078 9 3054 3060 3069 14 3054 3087 3090 15 3054 3087 3093 16 3048 3054 3060 25 3048 3054 3087 26 3138 3135 3141 1 3135 3141 3147 3 3111 3105 3123 14 3105 3099 3135 9 3099 3105 3111 14 3099 3105 3123 14 3099 3135 3138 15 3099 3135 3141 16 3093 3099 3105 25 3093 3099 3135 26 3171 3168 3174 1 3168 3174 3180 3 3153 3147 3168 9 3147 3153 3162 31 3147 3168 3171 15 3147 3168 3174 16 3141 3147 3153 25 3141 3147 3168 26 3204 3201 3207 1 3201 3207 3213 3 3186 3180 3201 9 3180 3186 3195 31 3180 3201 3204 15 3180 3201 3207 16 3174 3180 3186 25 3174 3180 3201 26 3234 3231 3237 1 3231 3237 3243 3 3219 3213 3231 9 3213 3231 3234 15 3213 3231 3237 16 3207 3213 3219 25 3207 3213 3231 26 3276 3273 3279 1 3273 3279 3285 3 3255 3249 3267 31 3249 3243 3273 9 3243 3249 3255 14 3243 3249 3267 31 3243 3273 3276 15 3243 3273 3279 16 3237 3243 3249 25 3237 3243 3273 26 3318 3315 3321 1 3315 3321 3327 3 3303 3300 3306 1 3291 3285 3315 9 3291 3300 3303 15 3291 3300 3306 16 3285 3291 3300 9 3285 3315 3318 15 3285 3315 3321 16 3279 3285 3291 25 3279 3285 3315 26 3348 3345 3351 1 3345 3351 3357 3 3333 3327 3345 9 3327 3345 3348 15 3327 3345 3351 16 3321 3327 3333 25 3321 3327 3345 26 3405 3402 3408 1 3402 3408 3414 3 3378 3372 3390 14 3363 3357 3402 9 3363 3372 3378 14 3363 3372 3390 14 3357 3363 3372 14 3357 3402 3405 15 3357 3402 3408 16 3351 3357 3363 25 3351 3357 3402 26 3477 3474 3480 1 3474 3480 3486 3 3456 3453 3465 35 3447 3453 3456 35 3447 3453 3465 35 3438 3447 3453 39 3429 3438 3447 40 3420 3414 3474 9 3420 3429 3438 14 3414 3420 3429 14 3414 3474 3477 15 3414 3474 3480 16 3408 3414 3420 25 3408 3414 3474 26 3510 3507 3513 1 3507 3513 3519 3 3492 3486 3507 9 3486 3492 3501 31 3486 3507 3510 15 3486 3507 3513 16 3480 3486 3492 25 3480 3486 3507 26 3561 3558 3564 1 3558 3564 3570 3 3534 3543 3546 6 3525 3519 3558 9 3525 3534 3543 11 3519 3525 3534 14 3519 3558 3561 15 3519 3558 3564 16 3513 3519 3525 25 3513 3519 3558 26 3612 3609 3615 1 3609 3615 3621 3 3597 3594 3600 1 3585 3594 3597 15 3585 3594 3600 16 3576 3570 3609 9 3576 3585 3594 9 3570 3576 3585 14 3570 3609 3612 15 3570 3609 3615 16 3564 3570 3576 25 3564 3570 3609 26 3633 3630 3636 1 3630 3636 3642 3 3621 3630 3633 15 3621 3630 3636 16 3615 3621 3630 26 3693 3690 3696 1 3690 3696 3699 3 3690 3696 3726 3 3672 3678 3684 63 3666 3672 3678 63 3660 3657 3684 63 3660 3666 3672 63 3657 3660 3666 63 3657 3684 3678 63 3648 3642 3690 9 3648 3657 3660 65 3648 3657 3684 65 3642 3648 3657 66 3642 3690 3693 15 3642 3690 3696 16 3636 3642 3648 25 3636 3642 3690 26 3735 3732 3738 1 3732 3738 3744 3 3726 3732 3735 15 3726 3732 3738 16 3717 3726 3732 9 3708 3717 3726 14 3699 3696 3726 27 3699 3708 3717 14 3696 3699 3708 25 3696 3726 3717 25 3696 3726 3732 26 3795 3792 3798 1 3792 3798 3804 3 3774 3780 3786 63 3768 3774 3780 63 3762 3759 3786 63 3762 3768 3774 63 3759 3762 3768 63 3759 3786 3780 63 3750 3744 3792 9 3750 3759 3762 65 3750 3759 3786 65 3744 3750 3759 66 3744 3792 3795 15 3744 3792 3798 16 3738 3744 3750 25 3738 3744 3792 26 3858 3855 3861 1 3855 3861 3867 3 3837 3834 3843 58 3834 3843 3849 61 3828 3834 3837 58 3828 3834 3843 62 3822 3819 3849 63 3822 3828 3834 61 3819 3822 3828 63 3819 3849 3843 63 3810 3804 3855 9 3810 3819 3822 65 3810 3819 3849 65 3804 3810 3819 66 3804 3855 3858 15 3804 3855 3861 16 3798 3804 3810 25 3798 3804 3855 26 3894 3891 3897 1 3891 3897 3903 3 3885 3882 3888 28 3873 3867 3891 9 3873 3882 3885 30 3873 3882 3888 30 3867 3873 3882 9 3867 3891 3894 15 3867 3891 3897 16 3861 3867 3873 25 3861 3867 3891 26 3960 3957 3963 1 3957 3963 3966 3 3957 3963 3993 3 3927 3936 3945 20 3918 3927 3936 14 3909 3903 3957 9 3909 3918 3927 14 3903 3909 3918 14 3903 3957 3960 15 3903 3957 3963 16 3897 3903 3909 25 3897 3903 3957 26 4002 3999 4005 1 3999 4005 4011 3 3993 3999 4002 15 3993 3999 4005 16 3984 3993 3999 9 3975 3984 3993 14 3966 3963 3993 27 3966 3975 3984 14 3963 3966 3975 25 3963 3993 3984 25 3963 3993 3999 26 4053 4050 4056 1 4050 4056 4062 3 4026 4035 4038 6 4017 4011 4050 9 4017 4026 4035 11 4011 4017 4026 14 4011 4050 4053 15 4011 4050 4056 16 4005 4011 4017 25 4005 4011 4050 26 4125 4122 4128 1 4122 4128 4134 3 4104 4101 4113 35 4095 4101 4104 35 4095 4101 4113 35 4086 4095 4101 39 4077 4086 4095 40 4068 4062 4122 9 4068 4077 4086 14 4062 4068 4077 14 4062 4122 4125 15 4062 4122 4128 16 4056 4062 4068 25 4056 4062 4122 26 4182 4179 4185 1 4179 4185 4191 3 4146 4140 4158 14 4140 4134 4179 9 4140 4158 4167 14 4134 4140 4146 14 4134 4140 4158 14 4134 4179 4182 15 4134 4179 4185 16 4128 4134 4140 25 4128 4134 4179 26 4233 4230 4236 1 4230 4236 4242 3 4218 4215 4221 1 4206 4215 4218 15 4206 4215 4221 16 4197 4191 4230 9 4197 4206 4215 9 4191 4197 4206 14 4191 4230 4233 15 4191 4230 4236 16 4185 4191 4197 25 4185 4191 4230 26 4296 4293 4299 1 4293 4299 4305 3 4275 4272 4281 58 4272 4281 4287 61 4266 4272 4275 58 4266 4272 4281 62 4260 4257 4287 63 4260 4266 4272 61 4257 4260 4266 63 4257 4287 4281 63 4248 4242 4293 9 4248 4257 4260 65 4248 4257 4287 65 4242 4248 4257 66 4242 4293 4296 15 4242 4293 4299 16 4236 4242 4248 25 4236 4242 4293 26 4326 4323 4329 1 4323 4329 4335 3 4311 4305 4323 9 4305 4323 4326 15 4305 4323 4329 16 4299 4305 4311 25 4299 4305 4323 26 4392 4389 4395 1 4389 4395 4401 3 4359 4368 4377 20 4350 4359 4368 14 4341 4335 4389 9 4341 4350 4359 14 4335 4341 4350 14 4335 4389 4392 15 4335 4389 4395 16 4329 4335 4341 25 4329 4335 4389 26 4434 4431 4437 1 4431 4437 4443 3 4413 4407 4425 31 4407 4401 4431 9 4401 4407 4413 14 4401 4407 4425 31 4401 4431 4434 15 4401 4431 4437 16 4395 4401 4407 25 4395 4401 4431 26 4470 4467 4473 1 4467 4473 4479 3 4461 4458 4464 28 4449 4443 4467 9 4449 4458 4461 30 4449 4458 4464 30 4443 4449 4458 9 4443 4467 4470 15 4443 4467 4473 16 4437 4443 4449 25 4437 4443 4467 26 4503 4500 4506 1 4500 4506 4512 3 4485 4479 4500 9 4479 4485 4494 31 4479 4500 4503 15 4479 4500 4506 16 4473 4479 4485 25 4473 4479 4500 26 4539 4536 4542 1 4536 4542 4548 3 4530 4527 4533 28 4518 4512 4536 9 4518 4527 4530 30 4518 4527 4533 30 4512 4518 4527 9 4512 4536 4539 15 4512 4536 4542 16 4506 4512 4518 25 4506 4512 4536 26 4596 4593 4599 1 4593 4599 4605 3 4560 4554 4572 14 4554 4548 4593 9 4554 4572 4581 14 4548 4554 4560 14 4548 4554 4572 14 4548 4593 4596 15 4548 4593 4599 16 4542 4548 4554 25 4542 4548 4593 26 4653 4650 4656 1 4650 4656 4662 3 4617 4611 4629 14 4611 4605 4650 9 4611 4629 4638 14 4605 4611 4617 14 4605 4611 4629 14 4605 4650 4653 15 4605 4650 4656 16 4599 4605 4611 25 4599 4605 4650 26 4683 4680 4686 1 4680 4686 4692 3 4668 4662 4680 9 4662 4680 4683 15 4662 4680 4686 16 4656 4662 4668 25 4656 4662 4680 26 4749 4746 4752 1 4746 4752 4758 3 4716 4725 4734 20 4707 4716 4725 14 4698 4692 4746 9 4698 4707 4716 14 4692 4698 4707 14 4692 4746 4749 15 4692 4746 4752 16 4686 4692 4698 25 4686 4692 4746 26 4800 4797 4803 1 4797 4803 4809 3 4773 4782 4785 6 4764 4758 4797 9 4764 4773 4782 11 4758 4764 4773 14 4758 4797 4800 15 4758 4797 4803 16 4752 4758 4764 25 4752 4758 4797 26 4866 4863 4869 1 4863 4869 4875 3 4833 4842 4851 20 4824 4833 4842 14 4815 4809 4863 9 4815 4824 4833 14 4809 4815 4824 14 4809 4863 4866 15 4809 4863 4869 16 4803 4809 4815 25 4803 4809 4863 26 4887 4884 4890 1 4884 4890 4896 3 4875 4884 4887 15 4875 4884 4890 16 4869 4875 4884 26 4929 4926 4932 1 4926 4932 4938 3 4908 4902 4920 31 4902 4896 4926 9 4896 4902 4908 14 4896 4902 4920 31 4896 4926 4929 15 4896 4926 4932 16 4890 4896 4902 25 4890 4896 4926 26 4989 4986 4992 1 4986 4992 4998 3 4968 4974 4980 63 4962 4968 4974 63 4956 4953 4980 63 4956 4962 4968 63 4953 4956 4962 63 4953 4980 4974 63 4944 4938 4986 9 4944 4953 4956 65 4944 4953 4980 65 4938 4944 4953 66 4938 4986 4989 15 4938 4986 4992 16 4932 4938 4944 25 4932 4938 4986 26 5037 5034 5040 28 5010 5004 5022 14 5004 4998 5034 9 4998 5004 5010 14 4998 5004 5022 14 4998 5034 5037 30 4998 5034 5040 30 4992 4998 5004 25 4992 4998 5034 26 5088 5085 5091 68 5076 5085 5088 71 5076 5085 5091 71 5073 5070 5076 71 5070 5076 5085 72 5067 5070 5073 68 5067 5070 5076 71 5118 5115 5121 68 5106 5115 5118 71 5106 5115 5121 71 5103 5100 5106 71 5100 5106 5115 72 5097 5100 5103 68 5097 5100 5106 71 5148 5145 5151 68 5136 5145 5148 71 5136 5145 5151 71 5133 5130 5136 71 5130 5136 5145 72 5127 5130 5133 68 5127 5130 5136 71 5178 5175 5181 68 5166 5175 5178 71 5166 5175 5181 71 5163 5160 5166 71 5160 5166 5175 72 5157 5160 5163 68 5157 5160 5166 71 5208 5205 5211 68 5196 5205 5208 71 5196 5205 5211 71 5193 5190 5196 71 5190 5196 5205 72 5187 5190 5193 68 5187 5190 5196 71 5238 5235 5241 68 5226 5235 5238 71 5226 5235 5241 71 5223 5220 5226 71 5220 5226 5235 72 5217 5220 5223 68 5217 5220 5226 71 5268 5265 5271 68 5256 5265 5268 71 5256 5265 5271 71 5253 5250 5256 71 5250 5256 5265 72 5247 5250 5253 68 5247 5250 5256 71 5298 5295 5301 68 5286 5295 5298 71 5286 5295 5301 71 5283 5280 5286 71 5280 5286 5295 72 5277 5280 5283 68 5277 5280 5286 71 5328 5325 5331 68 5316 5325 5328 71 5316 5325 5331 71 5313 5310 5316 71 5310 5316 5325 72 5307 5310 5313 68 5307 5310 5316 71 5358 5355 5361 68 5346 5355 5358 71 5346 5355 5361 71 5343 5340 5346 71 5340 5346 5355 72 5337 5340 5343 68 5337 5340 5346 71 5388 5385 5391 68 5376 5385 5388 71 5376 5385 5391 71 5373 5370 5376 71 5370 5376 5385 72 5367 5370 5373 68 5367 5370 5376 71 5418 5415 5421 68 5406 5415 5418 71 5406 5415 5421 71 5403 5400 5406 71 5400 5406 5415 72 5397 5400 5403 68 5397 5400 5406 71 5448 5445 5451 68 5436 5445 5448 71 5436 5445 5451 71 5433 5430 5436 71 5430 5436 5445 72 5427 5430 5433 68 5427 5430 5436 71 5478 5475 5481 68 5466 5475 5478 71 5466 5475 5481 71 5463 5460 5466 71 5460 5466 5475 72 5457 5460 5463 68 5457 5460 5466 71 5508 5505 5511 68 5496 5505 5508 71 5496 5505 5511 71 5493 5490 5496 71 5490 5496 5505 72 5487 5490 5493 68 5487 5490 5496 71 5538 5535 5541 68 5526 5535 5538 71 5526 5535 5541 71 5523 5520 5526 71 5520 5526 5535 72 5517 5520 5523 68 5517 5520 5526 71 5568 5565 5571 68 5556 5565 5568 71 5556 5565 5571 71 5553 5550 5556 71 5550 5556 5565 72 5547 5550 5553 68 5547 5550 5556 71 5598 5595 5601 68 5586 5595 5598 71 5586 5595 5601 71 5583 5580 5586 71 5580 5586 5595 72 5577 5580 5583 68 5577 5580 5586 71 5628 5625 5631 68 5616 5625 5628 71 5616 5625 5631 71 5613 5610 5616 71 5610 5616 5625 72 5607 5610 5613 68 5607 5610 5616 71 5658 5655 5661 68 5646 5655 5658 71 5646 5655 5661 71 5643 5640 5646 71 5640 5646 5655 72 5637 5640 5643 68 5637 5640 5646 71 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 54 51 57 60 1 54 51 -57 60 2 51 57 63 66 3 33 27 36 39 10 30 27 36 39 10 27 36 39 42 10 27 36 39 45 10 27 36 39 48 10 24 18 12 51 11 24 18 27 30 11 24 18 27 33 11 24 18 27 36 11 21 18 12 51 11 21 18 27 30 11 21 18 27 33 11 21 18 27 36 11 15 12 18 21 11 15 12 18 24 11 15 12 18 27 11 15 12 51 54 3 15 12 51 57 3 12 18 27 30 11 12 18 27 33 11 12 51 57 60 2 9 0 12 15 11 9 0 12 18 11 9 0 12 51 11 6 0 12 15 11 6 0 12 18 11 6 0 12 51 11 3 0 12 15 11 3 0 12 18 11 3 0 12 51 11 0 12 18 21 11 0 12 18 24 11 84 81 87 90 1 84 81 -87 90 2 81 87 93 96 3 78 69 63 81 11 75 69 63 81 11 72 69 63 81 11 66 63 69 72 11 66 63 69 75 11 66 63 69 78 11 66 63 81 84 14 66 63 -81 84 15 66 63 81 87 3 63 81 87 90 2 60 57 63 66 3 60 57 63 69 3 60 57 63 81 3 57 63 69 72 11 57 63 69 75 11 57 63 69 78 11 129 135 138 141 3 129 135 138 144 3 129 135 165 168 3 114 105 99 117 19 111 105 99 117 19 108 105 99 117 19 105 99 117 120 19 105 99 117 123 19 105 99 117 126 19 102 99 93 129 11 102 99 105 108 20 102 99 105 111 20 102 99 105 114 20 102 99 117 120 20 102 99 117 123 20 102 99 117 126 20 96 93 99 102 11 96 93 99 105 11 96 93 99 117 11 96 93 129 132 14 96 93 -129 132 15 96 93 129 135 3 93 99 105 108 19 93 99 105 111 19 93 99 105 114 19 93 99 117 120 19 93 99 117 123 19 93 99 117 126 19 90 87 93 96 3 90 87 93 99 3 90 87 93 129 3 87 93 99 102 11 174 171 177 180 1 174 171 -177 180 2 171 177 183 186 3 168 165 171 174 14 168 165 -171 174 15 168 165 171 177 3 165 171 177 180 2 162 156 165 168 11 162 156 165 171 11 159 156 165 168 11 159 156 165 171 11 153 147 156 159 20 153 147 156 162 20 153 147 156 165 19 150 147 156 159 20 150 147 156 162 20 150 147 156 165 19 147 156 165 168 11 144 138 135 165 3 144 138 147 150 11 144 138 147 153 11 144 138 147 156 11 141 138 135 165 3 141 138 147 150 11 141 138 147 153 11 141 138 147 156 11 138 135 165 168 3 138 147 156 159 19 138 147 156 162 19 135 138 147 150 11 135 138 147 153 11 135 165 156 159 11 135 165 156 162 11 219 216 222 225 1 219 216 -222 225 2 216 222 228 231 3 204 198 207 210 3 204 198 207 213 3 201 198 207 210 3 201 198 207 213 3 195 189 183 216 11 195 189 198 201 20 195 189 198 204 20 195 189 198 207 11 192 189 183 216 11 192 189 198 201 20 192 189 198 204 20 192 189 198 207 11 186 183 189 192 11 186 183 189 195 11 186 183 189 198 11 186 183 216 219 14 186 183 -216 219 15 186 183 216 222 3 183 189 198 201 19 183 189 198 204 19 183 216 222 225 2 180 177 183 186 3 180 177 183 189 3 180 177 183 216 3 177 183 189 192 11 177 183 189 195 11 261 258 264 267 1 261 258 -264 267 2 258 264 270 273 3 249 240 234 252 24 249 240 -234 252 25 246 240 234 252 24 246 240 -234 252 25 243 240 234 252 24 243 240 -234 252 25 240 234 252 255 24 240 234 -252 255 19 237 234 228 258 11 237 234 240 243 11 237 234 240 246 11 237 234 240 249 11 237 234 252 255 26 231 228 234 237 11 231 228 234 240 11 231 228 234 252 24 231 228 -234 252 25 231 228 258 261 14 231 228 -258 261 15 231 228 258 264 3 228 234 240 243 19 228 234 240 246 19 228 234 240 249 19 228 234 252 255 24 228 234 -252 255 19 228 258 264 267 2 225 222 228 231 3 225 222 228 234 3 225 222 228 258 3 222 228 234 237 11 330 336 339 342 3 330 336 339 345 3 330 336 366 369 3 318 312 309 321 27 315 312 309 321 27 312 309 321 324 27 312 309 321 327 27 306 303 309 312 27 306 303 309 321 27 303 309 312 315 27 303 309 312 318 27 303 309 321 324 27 303 309 321 327 27 300 294 303 306 25 300 294 303 309 25 297 294 303 306 25 297 294 303 309 25 291 285 294 297 11 291 285 294 300 11 291 285 294 303 11 288 285 294 297 11 288 285 294 300 11 288 285 294 303 11 285 294 303 306 25 282 276 270 330 11 282 276 285 288 20 282 276 285 291 20 282 276 285 294 19 279 276 270 330 11 279 276 285 288 20 279 276 285 291 20 279 276 285 294 19 276 285 294 297 11 276 285 294 300 11 273 270 276 279 11 273 270 276 282 11 273 270 276 285 11 273 270 330 333 14 273 270 -330 333 15 273 270 330 336 3 270 276 285 288 19 270 276 285 291 19 267 264 270 273 3 267 264 270 276 3 267 264 270 330 3 264 270 276 279 11 264 270 276 282 11 375 372 378 381 1 375 372 -378 381 2 372 378 384 387 3 369 366 372 375 14 369 366 -372 375 15 369 366 372 378 3 366 372 378 381 2 363 357 366 369 11 363 357 366 372 11 360 357 366 369 11 360 357 366 372 11 354 348 357 360 20 354 348 357 363 20 354 348 357 366 19 351 348 357 360 20 351 348 357 363 20 351 348 357 366 19 348 357 366 369 11 345 339 336 366 3 345 339 348 351 11 345 339 348 354 11 345 339 348 357 11 342 339 336 366 3 342 339 348 351 11 342 339 348 354 11 342 339 348 357 11 339 336 366 369 3 339 348 357 360 19 339 348 357 363 19 336 339 348 351 11 336 339 348 354 11 336 366 357 360 11 336 366 357 363 11 417 414 420 423 1 417 414 -420 423 2 414 420 426 429 3 402 399 405 408 1 402 399 -405 408 2 402 399 405 411 1 402 399 -405 411 2 396 390 384 414 11 396 390 399 402 14 396 390 -399 402 3 396 390 -399 402 15 396 390 399 405 3 393 390 384 414 11 393 390 399 402 14 393 390 -399 402 3 393 390 -399 402 15 393 390 399 405 3 390 399 405 408 2 390 399 405 411 2 387 384 390 393 11 387 384 390 396 11 387 384 390 399 11 387 384 414 417 14 387 384 -414 417 15 387 384 414 420 3 384 414 420 423 2 381 378 384 387 3 381 378 384 390 3 381 378 384 414 3 378 384 390 393 11 378 384 390 396 11 468 465 471 474 1 468 465 -471 474 2 465 471 477 480 3 456 453 459 462 28 450 447 453 456 29 450 447 453 459 29 447 453 459 462 28 444 441 459 462 30 444 447 453 456 29 441 444 447 450 31 441 459 453 456 28 438 432 426 465 11 438 432 441 444 3 438 432 441 459 3 435 432 426 465 11 435 432 441 444 3 435 432 441 459 3 432 441 459 462 30 429 426 432 435 11 429 426 432 438 11 429 426 432 441 11 429 426 465 468 14 429 426 -465 468 15 429 426 465 471 3 426 465 471 474 2 423 420 426 429 3 423 420 426 432 3 423 420 426 465 3 420 426 432 435 11 420 426 432 438 11 510 507 513 516 1 510 507 -513 516 2 507 513 519 522 3 498 489 483 501 24 498 489 -483 501 25 495 489 483 501 24 495 489 -483 501 25 492 489 483 501 24 492 489 -483 501 25 489 483 501 504 24 489 483 -501 504 19 486 483 477 507 11 486 483 489 492 11 486 483 489 495 11 486 483 489 498 11 486 483 501 504 26 480 477 483 486 11 480 477 483 489 11 480 477 483 501 24 480 477 -483 501 25 480 477 507 510 14 480 477 -507 510 15 480 477 507 513 3 477 483 489 492 19 477 483 489 495 19 477 483 489 498 19 477 483 501 504 24 477 483 -501 504 19 477 507 513 516 2 474 471 477 480 3 474 471 477 483 3 474 471 477 507 3 471 477 483 486 11 567 564 570 573 1 567 564 -570 573 2 564 570 576 579 3 549 543 552 555 20 549 543 552 558 20 549 543 552 561 20 546 543 552 555 20 546 543 552 558 20 546 543 552 561 20 540 531 525 543 19 537 531 525 543 19 534 531 525 543 19 531 525 543 546 19 531 525 543 549 19 528 525 519 564 11 528 525 531 534 20 528 525 531 537 20 528 525 531 540 20 528 525 543 546 20 528 525 543 549 20 528 525 543 552 19 525 543 552 555 19 525 543 552 558 19 525 543 552 561 19 522 519 525 528 11 522 519 525 531 11 522 519 525 543 11 522 519 564 567 14 522 519 -564 567 15 522 519 564 570 3 519 525 531 534 19 519 525 531 537 19 519 525 531 540 19 519 525 543 546 19 519 525 543 549 19 519 564 570 573 2 516 513 519 522 3 516 513 519 525 3 516 513 519 564 3 513 519 525 528 11 630 627 633 636 1 630 627 -633 636 2 627 633 639 642 3 618 615 621 624 32 612 609 606 615 33 609 606 615 618 32 606 615 621 624 32 603 600 606 609 32 603 600 606 615 32 600 606 609 612 33 600 606 615 618 32 597 594 591 621 32 597 594 600 603 32 597 594 600 606 32 594 591 621 624 32 591 594 600 603 32 591 621 615 618 32 588 582 576 627 11 588 582 591 594 3 588 582 591 621 3 585 582 576 627 11 585 582 591 594 3 585 582 591 621 3 582 591 594 597 32 582 591 621 624 32 579 576 582 585 11 579 576 582 588 11 579 576 582 591 11 579 576 627 630 14 579 576 -627 630 15 579 576 627 633 3 576 627 633 636 2 573 570 576 579 3 573 570 576 582 3 573 570 576 627 3 570 576 582 585 11 570 576 582 588 11 687 684 690 693 1 687 684 -690 693 2 684 690 696 699 3 669 663 672 675 20 669 663 672 678 20 669 663 672 681 20 666 663 672 675 20 666 663 672 678 20 666 663 672 681 20 660 651 645 663 19 657 651 645 663 19 654 651 645 663 19 651 645 663 666 19 651 645 663 669 19 648 645 639 684 11 648 645 651 654 20 648 645 651 657 20 648 645 651 660 20 648 645 663 666 20 648 645 663 669 20 648 645 663 672 19 645 663 672 675 19 645 663 672 678 19 645 663 672 681 19 642 639 645 648 11 642 639 645 651 11 642 639 645 663 11 642 639 684 687 14 642 639 -684 687 15 642 639 684 690 3 639 645 651 654 19 639 645 651 657 19 639 645 651 660 19 639 645 663 666 19 639 645 663 669 19 639 684 690 693 2 636 633 639 642 3 636 633 639 645 3 636 633 639 684 3 633 639 645 648 11 729 726 732 735 1 729 726 -732 735 2 726 732 738 741 3 714 711 717 720 1 714 711 -717 720 2 714 711 717 723 1 714 711 -717 723 2 708 702 696 726 11 708 702 711 714 14 708 702 -711 714 3 708 702 -711 714 15 708 702 711 717 3 705 702 696 726 11 705 702 711 714 14 705 702 -711 714 3 705 702 -711 714 15 705 702 711 717 3 702 711 717 720 2 702 711 717 723 2 699 696 702 705 11 699 696 702 708 11 699 696 702 711 11 699 696 726 729 14 699 696 -726 729 15 699 696 726 732 3 696 726 732 735 2 693 690 696 699 3 693 690 696 702 3 693 690 696 726 3 690 696 702 705 11 690 696 702 708 11 771 768 774 777 1 771 768 -774 777 2 768 774 780 783 3 756 753 759 762 1 756 753 -759 762 2 756 753 759 765 1 756 753 -759 765 2 750 744 738 768 11 750 744 753 756 14 750 744 -753 756 3 750 744 -753 756 15 750 744 753 759 3 747 744 738 768 11 747 744 753 756 14 747 744 -753 756 3 747 744 -753 756 15 747 744 753 759 3 744 753 759 762 2 744 753 759 765 2 741 738 744 747 11 741 738 744 750 11 741 738 744 753 11 741 738 768 771 14 741 738 -768 771 15 741 738 768 774 3 738 768 774 777 2 735 732 738 741 3 735 732 738 744 3 735 732 738 768 3 732 738 744 747 11 732 738 744 750 11 828 825 831 834 1 828 825 -831 834 2 825 831 837 840 3 810 801 795 813 19 807 801 795 813 19 804 801 795 813 19 801 795 813 816 19 801 795 813 819 19 801 795 813 822 19 798 795 801 804 20 798 795 801 807 20 798 795 801 810 20 798 795 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2664 3 2649 2655 2661 2667 3 2637 2631 2628 2640 27 2634 2631 2628 2640 27 2631 2628 2640 2643 27 2631 2628 2640 2646 27 2625 2622 2628 2631 27 2625 2622 2628 2640 27 2622 2628 2631 2634 27 2622 2628 2631 2637 27 2622 2628 2640 2643 27 2622 2628 2640 2646 27 2619 2613 2622 2625 25 2619 2613 2622 2628 25 2616 2613 2622 2625 25 2616 2613 2622 2628 25 2610 2604 2613 2616 11 2610 2604 2613 2619 11 2610 2604 2613 2622 11 2607 2604 2613 2616 11 2607 2604 2613 2619 11 2607 2604 2613 2622 11 2604 2613 2622 2625 25 2601 2595 2589 2649 11 2601 2595 2604 2607 20 2601 2595 2604 2610 20 2601 2595 2604 2613 19 2598 2595 2589 2649 11 2598 2595 2604 2607 20 2598 2595 2604 2610 20 2598 2595 2604 2613 19 2595 2604 2613 2616 11 2595 2604 2613 2619 11 2592 2589 2595 2598 11 2592 2589 2595 2601 11 2592 2589 2595 2604 11 2592 2589 2649 2652 14 2592 2589 -2649 2652 15 2592 2589 2649 2655 3 2589 2595 2604 2607 19 2589 2595 2604 2610 19 2589 2649 2655 2658 2 2586 2583 2589 2592 3 2586 2583 2589 2595 3 2586 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2826 2823 2859 2865 3 2823 2829 2835 2838 19 2823 2829 2835 2841 19 2823 2829 2835 2844 19 2823 2829 2847 2850 19 2823 2829 2847 2853 19 2823 2829 2847 2856 19 2823 2859 2865 2868 2 2820 2817 2823 2826 3 2820 2817 2823 2829 3 2820 2817 2823 2859 3 2817 2823 2829 2832 11 2919 2916 2922 2925 1 2919 2916 -2922 2925 2 2916 2922 2928 2931 3 2901 2895 2904 2907 20 2901 2895 2904 2910 20 2901 2895 2904 2913 20 2898 2895 2904 2907 20 2898 2895 2904 2910 20 2898 2895 2904 2913 20 2892 2883 2877 2895 19 2889 2883 2877 2895 19 2886 2883 2877 2895 19 2883 2877 2895 2898 19 2883 2877 2895 2901 19 2880 2877 2871 2916 11 2880 2877 2883 2886 20 2880 2877 2883 2889 20 2880 2877 2883 2892 20 2880 2877 2895 2898 20 2880 2877 2895 2901 20 2880 2877 2895 2904 19 2877 2895 2904 2907 19 2877 2895 2904 2910 19 2877 2895 2904 2913 19 2874 2871 2877 2880 11 2874 2871 2877 2883 11 2874 2871 2877 2895 11 2874 2871 2916 2919 14 2874 2871 -2916 2919 15 2874 2871 2916 2922 3 2871 2877 2883 2886 19 2871 2877 2883 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2937 11 2922 2928 2934 2940 11 3045 3042 3048 3051 1 3045 3042 -3048 3051 2 3042 3048 3054 3057 3 3027 3021 3030 3033 11 3027 3021 3030 3036 11 3027 3021 3030 3039 11 3024 3021 3030 3033 11 3024 3021 3030 3036 11 3024 3021 3030 3039 11 3018 3012 3021 3024 11 3018 3012 3021 3027 11 3018 3012 3021 3030 11 3015 3012 3021 3024 11 3015 3012 3021 3027 11 3015 3012 3021 3030 11 3012 3021 3030 3033 11 3012 3021 3030 3036 11 3012 3021 3030 3039 11 3009 3003 3012 3015 20 3009 3003 3012 3018 20 3009 3003 3012 3021 19 3006 3003 3012 3015 20 3006 3003 3012 3018 20 3006 3003 3012 3021 19 3003 3012 3021 3024 11 3003 3012 3021 3027 11 3000 2994 2988 3042 11 3000 2994 3003 3006 20 3000 2994 3003 3009 20 3000 2994 3003 3012 19 2997 2994 2988 3042 11 2997 2994 3003 3006 20 2997 2994 3003 3009 20 2997 2994 3003 3012 19 2994 3003 3012 3015 19 2994 3003 3012 3018 19 2991 2988 2994 2997 11 2991 2988 2994 3000 11 2991 2988 2994 3003 11 2991 2988 3042 3045 14 2991 2988 -3042 3045 15 2991 2988 3042 3048 3 2988 2994 3003 3006 19 2988 2994 3003 3009 19 2988 3042 3048 3051 2 2985 2982 2988 2991 3 2985 2982 2988 2994 3 2985 2982 2988 3042 3 2982 2988 2994 2997 11 2982 2988 2994 3000 11 3090 3087 3093 3096 1 3090 3087 -3093 3096 2 3087 3093 3099 3102 3 3075 3069 3078 3081 3 3075 3069 3078 3084 3 3072 3069 3078 3081 3 3072 3069 3078 3084 3 3066 3060 3054 3087 11 3066 3060 3069 3072 20 3066 3060 3069 3075 20 3066 3060 3069 3078 11 3063 3060 3054 3087 11 3063 3060 3069 3072 20 3063 3060 3069 3075 20 3063 3060 3069 3078 11 3057 3054 3060 3063 11 3057 3054 3060 3066 11 3057 3054 3060 3069 11 3057 3054 3087 3090 14 3057 3054 -3087 3090 15 3057 3054 3087 3093 3 3054 3060 3069 3072 19 3054 3060 3069 3075 19 3054 3087 3093 3096 2 3051 3048 3054 3057 3 3051 3048 3054 3060 3 3051 3048 3054 3087 3 3048 3054 3060 3063 11 3048 3054 3060 3066 11 3138 3135 3141 3144 1 3138 3135 -3141 3144 2 3135 3141 3147 3150 3 3120 3111 3105 3123 19 3117 3111 3105 3123 19 3114 3111 3105 3123 19 3111 3105 3123 3126 19 3111 3105 3123 3129 19 3111 3105 3123 3132 19 3108 3105 3099 3135 11 3108 3105 3111 3114 20 3108 3105 3111 3117 20 3108 3105 3111 3120 20 3108 3105 3123 3126 20 3108 3105 3123 3129 20 3108 3105 3123 3132 20 3102 3099 3105 3108 11 3102 3099 3105 3111 11 3102 3099 3105 3123 11 3102 3099 3135 3138 14 3102 3099 -3135 3138 15 3102 3099 3135 3141 3 3099 3105 3111 3114 19 3099 3105 3111 3117 19 3099 3105 3111 3120 19 3099 3105 3123 3126 19 3099 3105 3123 3129 19 3099 3105 3123 3132 19 3099 3135 3141 3144 2 3096 3093 3099 3102 3 3096 3093 3099 3105 3 3096 3093 3099 3135 3 3093 3099 3105 3108 11 3171 3168 3174 3177 1 3171 3168 -3174 3177 2 3168 3174 3180 3183 3 3159 3153 3147 3168 11 3159 3153 3162 3165 26 3156 3153 3147 3168 11 3156 3153 3162 3165 26 3150 3147 3153 3156 11 3150 3147 3153 3159 11 3150 3147 3153 3162 24 3150 3147 -3153 3162 25 3150 3147 3168 3171 14 3150 3147 -3168 3171 15 3150 3147 3168 3174 3 3147 3153 3162 3165 24 3147 3153 -3162 3165 19 3147 3168 3174 3177 2 3144 3141 3147 3150 3 3144 3141 3147 3153 3 3144 3141 3147 3168 3 3141 3147 3153 3156 11 3141 3147 3153 3159 11 3204 3201 3207 3210 1 3204 3201 -3207 3210 2 3201 3207 3213 3216 3 3192 3186 3180 3201 11 3192 3186 3195 3198 26 3189 3186 3180 3201 11 3189 3186 3195 3198 26 3183 3180 3186 3189 11 3183 3180 3186 3192 11 3183 3180 3186 3195 24 3183 3180 -3186 3195 25 3183 3180 3201 3204 14 3183 3180 -3201 3204 15 3183 3180 3201 3207 3 3180 3186 3195 3198 24 3180 3186 -3195 3198 19 3180 3201 3207 3210 2 3177 3174 3180 3183 3 3177 3174 3180 3186 3 3177 3174 3180 3201 3 3174 3180 3186 3189 11 3174 3180 3186 3192 11 3234 3231 3237 3240 1 3234 3231 -3237 3240 2 3231 3237 3243 3246 3 3228 3219 3213 3231 11 3225 3219 3213 3231 11 3222 3219 3213 3231 11 3216 3213 3219 3222 11 3216 3213 3219 3225 11 3216 3213 3219 3228 11 3216 3213 3231 3234 14 3216 3213 -3231 3234 15 3216 3213 3231 3237 3 3213 3231 3237 3240 2 3210 3207 3213 3216 3 3210 3207 3213 3219 3 3210 3207 3213 3231 3 3207 3213 3219 3222 11 3207 3213 3219 3225 11 3207 3213 3219 3228 11 3276 3273 3279 3282 1 3276 3273 -3279 3282 2 3273 3279 3285 3288 3 3264 3255 3249 3267 24 3264 3255 -3249 3267 25 3261 3255 3249 3267 24 3261 3255 -3249 3267 25 3258 3255 3249 3267 24 3258 3255 -3249 3267 25 3255 3249 3267 3270 24 3255 3249 -3267 3270 19 3252 3249 3243 3273 11 3252 3249 3255 3258 11 3252 3249 3255 3261 11 3252 3249 3255 3264 11 3252 3249 3267 3270 26 3246 3243 3249 3252 11 3246 3243 3249 3255 11 3246 3243 3249 3267 24 3246 3243 -3249 3267 25 3246 3243 3273 3276 14 3246 3243 -3273 3276 15 3246 3243 3273 3279 3 3243 3249 3255 3258 19 3243 3249 3255 3261 19 3243 3249 3255 3264 19 3243 3249 3267 3270 24 3243 3249 -3267 3270 19 3243 3273 3279 3282 2 3240 3237 3243 3246 3 3240 3237 3243 3249 3 3240 3237 3243 3273 3 3237 3243 3249 3252 11 3318 3315 3321 3324 1 3318 3315 -3321 3324 2 3315 3321 3327 3330 3 3303 3300 3306 3309 1 3303 3300 -3306 3309 2 3303 3300 3306 3312 1 3303 3300 -3306 3312 2 3297 3291 3285 3315 11 3297 3291 3300 3303 14 3297 3291 -3300 3303 3 3297 3291 -3300 3303 15 3297 3291 3300 3306 3 3294 3291 3285 3315 11 3294 3291 3300 3303 14 3294 3291 -3300 3303 3 3294 3291 -3300 3303 15 3294 3291 3300 3306 3 3291 3300 3306 3309 2 3291 3300 3306 3312 2 3288 3285 3291 3294 11 3288 3285 3291 3297 11 3288 3285 3291 3300 11 3288 3285 3315 3318 14 3288 3285 -3315 3318 15 3288 3285 3315 3321 3 3285 3315 3321 3324 2 3282 3279 3285 3288 3 3282 3279 3285 3291 3 3282 3279 3285 3315 3 3279 3285 3291 3294 11 3279 3285 3291 3297 11 3348 3345 3351 3354 1 3348 3345 -3351 3354 2 3345 3351 3357 3360 3 3342 3333 3327 3345 11 3339 3333 3327 3345 11 3336 3333 3327 3345 11 3330 3327 3333 3336 11 3330 3327 3333 3339 11 3330 3327 3333 3342 11 3330 3327 3345 3348 14 3330 3327 -3345 3348 15 3330 3327 3345 3351 3 3327 3345 3351 3354 2 3324 3321 3327 3330 3 3324 3321 3327 3333 3 3324 3321 3327 3345 3 3321 3327 3333 3336 11 3321 3327 3333 3339 11 3321 3327 3333 3342 11 3405 3402 3408 3411 1 3405 3402 -3408 3411 2 3402 3408 3414 3417 3 3387 3378 3372 3390 19 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HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 H1 C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT H1 H1 S CT H1 H1 H1 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 H1 C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC HC C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT H1 H1 S CT H1 H1 H1 C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 H1 C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CT H1 H1 S CT H1 H1 H1 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT H1 H1 S CT H1 H1 H1 C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 H1 C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O2 O2 Cl- Cl- Cl- Cl- Cl- Cl- Cl- Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ o c2 o c3 hc hc c2 o o Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ Na+ %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA M E M E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E B E B E E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E 3 E E E S E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E B E B E E M E M E M E 3 E E B E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E B E B E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E B E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E S E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E S E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E S E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E S E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E S E M E M E M E 3 E E S E M E M E M E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E B E B E E M E M E M E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E S E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E E 3 E E B E B E E M E M E M E E M E M E M E 3 E E B B E B E B E S E S E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E B E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E B E E M E M E M E 3 E E S E M E M E M E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E B B E B E B E S E S E M E BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA M M M M M M M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M E M E E M E M M M M M M M M M M M M M M M M M M M M M %FLAG JOIN_ARRAY %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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