%VERSION VERSION_STAMP = V0001.000 DATE = 06/25/09 06:55:51 %FLAG TITLE %FORMAT(20a4) %FLAG POINTERS %FORMAT(10I8) 2621 14 1323 1318 2989 1775 5342 3091 0 0 14389 163 1318 1775 3091 43 91 29 30 0 0 0 0 0 0 0 0 0 24 0 0 %FLAG ATOM_NAME %FORMAT(20a4) N H1 H2 H3 CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22 HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13 CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 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8 1 2 2 1 2 2 8 9 1 2 3 6 3 6 3 5 5 5 11 12 8 9 1 2 3 6 6 8 9 1 2 3 6 3 6 3 5 5 5 11 12 8 9 1 2 3 6 3 5 5 8 8 14 1 2 8 8 10 8 10 8 10 8 10 8 8 9 1 2 3 6 3 5 5 8 9 9 8 9 1 2 3 6 3 5 5 5 8 9 1 2 3 6 3 5 5 8 8 10 8 10 8 11 12 8 10 8 10 8 9 1 2 3 6 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 8 9 9 8 8 8 3 8 8 8 3 10 10 5 5 5 10 10 5 5 5 %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 12 7 10 5 4 5 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 12 5 4 10 8 4 6 3 5 3 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 10 6 5 8 3 2 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 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 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 7 4 7 4 3 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 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 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 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 14 7 10 7 6 3 2 1 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 7 4 7 4 3 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 12 5 4 10 8 4 7 3 6 4 1 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 7 4 7 4 3 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 12 7 11 5 4 8 6 5 3 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 15 6 5 10 8 7 3 2 1 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 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 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 10 5 4 5 3 2 1 1 7 3 10 4 10 7 6 3 2 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 11 7 7 4 3 2 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 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 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 7 4 7 4 3 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 12 7 10 5 4 5 3 2 1 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 7 4 7 4 3 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 14 7 10 7 6 3 2 1 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 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 10 7 6 3 2 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 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 6 3 5 3 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 8 4 3 4 3 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 10 7 6 3 2 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 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 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 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 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 12 6 5 10 5 4 9 5 4 6 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 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 16 7 12 9 8 3 2 1 4 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 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 8 5 4 3 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 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 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 10 7 6 3 2 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 10 5 4 5 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 16 7 12 9 8 3 2 1 4 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 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 7 4 7 4 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 7 4 7 4 3 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 10 7 6 3 2 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 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 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 9 5 4 7 4 3 8 3 6 5 2 1 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 15 6 5 10 8 7 3 2 1 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 13 7 11 6 5 8 4 3 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 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 12 7 12 5 4 11 7 4 7 3 8 7 4 6 3 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 10 7 6 3 2 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 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 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 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 12 7 12 5 4 11 7 4 7 3 8 7 4 6 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 12 7 10 5 4 5 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 14 7 10 7 6 3 2 1 2 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 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 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 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 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 14 7 10 7 6 3 2 1 2 1 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 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 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 11 7 4 7 3 8 7 4 6 3 4 3 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 10 7 6 3 2 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 11 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 2 1 1 13 12 11 7 9 8 8 5 1 1 2 1 1 1 1 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 92 2 3 5 8 12 17 23 30 38 47 57 68 80 93 4 5 6 9 13 18 24 31 39 48 58 69 81 94 7 8 9 10 14 19 25 32 40 49 59 70 82 95 11 12 13 14 15 20 26 33 41 50 60 71 83 96 16 17 18 19 20 21 27 34 42 51 61 72 84 97 22 23 24 25 26 27 28 35 43 52 62 73 85 98 29 30 31 32 33 34 35 36 44 53 63 74 86 99 37 38 39 40 41 42 43 44 45 54 64 75 87 100 46 47 48 49 50 51 52 53 54 55 65 76 88 101 56 57 58 59 60 61 62 63 64 65 66 77 89 102 67 68 69 70 71 72 73 74 75 76 77 78 90 103 79 80 81 82 83 84 85 86 87 88 89 90 91 104 92 93 94 95 96 97 98 99 100 101 102 103 104 105 %FLAG RESIDUE_LABEL %FORMAT(20a4) MET ASN ILE PHE GLU MET LEU ARG ILE ASP GLU GLY LEU ARG LEU LYS ILE TYR LYS ASP THR GLU GLY TYR TYR THR ILE GLY ILE GLY HIE LEU LEU THR LYS SER PRO SER LEU ASN ALA ALA LYS SER GLU LEU ASP LYS ALA ILE GLY ARG ASN THR ASN GLY VAL ILE THR LYS ASP GLU ALA GLU LYS LEU PHE ASN GLN ASP VAL ASP ALA ALA VAL ARG GLY ILE LEU ARG ASN ALA LYS LEU LYS PRO VAL TYR ASP SER LEU ASP ALA VAL ARG ARG ALA ALA ALA ILE ASN MET VAL PHE GLN MET GLY GLU THR GLY VAL ALA GLY PHE THR ASN SER LEU ARG MET LEU GLN GLN LYS ARG TRP ASP GLU ALA ALA VAL ASN LEU ALA LYS SER ARG TRP TYR ASN GLN THR PRO ASN ARG ALA LYS ARG VAL ILE THR THR PHE ARG THR GLY THR TRP ASP ALA TYR LYS TMP %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 20 34 53 73 88 105 124 148 167 179 194 201 220 244 263 285 304 325 347 359 373 388 395 416 437 451 470 477 496 503 520 539 558 572 594 605 619 630 649 663 673 683 705 716 731 750 762 784 794 813 820 844 858 872 886 893 909 928 942 964 976 991 1001 1016 1038 1057 1077 1091 1108 1120 1136 1148 1158 1168 1184 1208 1215 1234 1253 1277 1291 1301 1323 1342 1364 1378 1394 1415 1427 1438 1457 1469 1479 1495 1519 1543 1553 1563 1573 1592 1606 1623 1639 1659 1676 1693 1700 1715 1729 1736 1752 1762 1769 1789 1803 1817 1828 1847 1871 1888 1907 1924 1941 1963 1987 2011 2023 2038 2048 2058 2074 2088 2107 2117 2139 2150 2174 2198 2219 2233 2250 2264 2278 2292 2316 2326 2348 2372 2388 2407 2421 2435 2455 2479 2493 2500 2514 2538 2550 2560 2581 2604 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 4.34000000E+02 3.37000000E+02 3.40000000E+02 3.10000000E+02 3.40000000E+02 3.40000000E+02 3.67000000E+02 4.34000000E+02 3.17000000E+02 6.56000000E+02 3.17000000E+02 4.69000000E+02 3.67000000E+02 4.69000000E+02 4.50000000E+02 5.53000000E+02 4.90000000E+02 5.70000000E+02 3.17000000E+02 5.46000000E+02 3.67000000E+02 4.27000000E+02 4.34000000E+02 4.28000000E+02 4.69000000E+02 3.88000000E+02 4.47000000E+02 4.69000000E+02 3.20000000E+02 3.37000000E+02 4.34000000E+02 4.81000000E+02 2.27000000E+02 3.17000000E+02 4.10000000E+02 4.88000000E+02 3.67000000E+02 4.77000000E+02 5.18000000E+02 3.37300000E+02 3.23500000E+02 4.78400000E+02 3.44300000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.01000000E+00 1.44900000E+00 1.09000000E+00 1.52600000E+00 1.09000000E+00 1.09000000E+00 1.47100000E+00 1.01000000E+00 1.52200000E+00 1.25000000E+00 1.51000000E+00 1.40000000E+00 1.08000000E+00 1.40900000E+00 1.36400000E+00 9.60000000E-01 1.33500000E+00 1.22900000E+00 1.49500000E+00 1.35200000E+00 1.08000000E+00 1.38100000E+00 1.01000000E+00 1.38000000E+00 1.40000000E+00 1.45900000E+00 1.41900000E+00 1.40400000E+00 1.41000000E+00 1.46300000E+00 1.01000000E+00 1.34000000E+00 1.81000000E+00 1.50400000E+00 1.39400000E+00 1.33500000E+00 1.08000000E+00 1.34300000E+00 1.37100000E+00 1.09200000E+00 1.51300000E+00 1.38700000E+00 1.08700000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 3.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 4.00000000E+01 5.00000000E+01 3.50000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 6.30000000E+01 5.00000000E+01 6.30000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 3.50000000E+01 6.30000000E+01 6.30000000E+01 3.50000000E+01 7.00000000E+01 3.50000000E+01 6.30000000E+01 3.00000000E+01 5.00000000E+01 8.00000000E+01 8.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 3.50000000E+01 7.00000000E+01 3.50000000E+01 3.00000000E+01 7.00000000E+01 3.00000000E+01 6.30000000E+01 7.00000000E+01 3.50000000E+01 6.30000000E+01 6.30000000E+01 6.30000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 6.30000000E+01 6.30000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 3.50000000E+01 8.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 3.50000000E+01 7.00000000E+01 3.50000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 6.20000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 3.50000000E+01 7.00000000E+01 3.50000000E+01 7.00000000E+01 3.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 3.50000000E+01 8.00000000E+01 5.00000000E+01 3.94000000E+01 4.85000000E+01 4.70000000E+01 6.38000000E+01 6.72000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.06018753E+00 1.91113635E+00 1.91462701E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.92160833E+00 1.91113635E+00 1.93906163E+00 2.04203610E+00 2.19911580E+00 2.03505478E+00 1.98967620E+00 1.91113635E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.97222290E+00 2.09439600E+00 2.09439600E+00 2.12755727E+00 2.10137732E+00 2.14501057E+00 1.91113635E+00 2.01760148E+00 1.91113635E+00 2.18166250E+00 2.09439600E+00 1.89717371E+00 2.09439600E+00 2.09439600E+00 1.94778828E+00 2.14850123E+00 1.89891904E+00 2.31779824E+00 2.09439600E+00 2.09439600E+00 2.35445017E+00 2.02807346E+00 2.24449438E+00 1.85703112E+00 1.82212452E+00 2.14151991E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 1.94080696E+00 1.91113635E+00 2.06647072E+00 2.15024656E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.05948940E+00 2.00189351E+00 1.91113635E+00 1.72613137E+00 1.97396823E+00 1.91113635E+00 2.09439600E+00 2.04203610E+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 1.94080696E+00 1.91113635E+00 1.89106506E+00 2.09457053E+00 1.92248100E+00 2.10539158E+00 2.09387240E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 0.00000000E+00 1.55555556E-01 8.50000000E-01 3.00000000E-01 2.50000000E+00 7.00000000E-02 1.00000000E-01 3.62500000E+00 9.00000000E-01 5.30000000E-01 1.50000000E-01 5.00000000E-01 2.00000000E+00 6.52500000E+00 3.00000000E+00 1.50000000E+00 1.67500000E+00 1.52500000E+00 3.50000000E+00 1.66666667E-01 0.00000000E+00 2.40000000E+00 3.33333333E-01 5.00000000E+00 5.37500000E+00 2.32500000E+00 1.00000000E+00 1.05000000E+01 1.10000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+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 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+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 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 7.91627154E+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 5.71629601E+03 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 6.00750218E+04 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 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 3.76169105E+03 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 4.64559155E+03 4.96707306E+04 0.00000000E+00 3.03448006E+03 3.76169105E+03 %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 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 1.85196588E+01 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 1.16187983E+02 6.99746810E+02 0.00000000E+00 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138 5 147 138 5 60 57 1 66 63 3 72 69 5 75 69 5 87 84 1 90 84 1 3 0 8 6 0 8 9 0 8 15 12 6 21 18 5 24 18 5 30 27 3 33 27 3 42 39 3 45 39 3 48 39 3 7830 7854 40 7830 7857 40 7830 7860 40 7824 7851 43 7821 7848 43 7818 7839 40 7818 7842 40 7818 7845 40 7815 7836 43 7812 7833 43 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 7746 7740 2 7752 7746 4 7761 7752 4 7770 7761 4 7779 7770 4 7788 7779 7 7800 7746 9 7803 7800 10 7806 7800 10 7683 7677 2 7689 7683 4 7698 7689 11 7701 7698 12 7707 7701 12 7713 7707 14 7716 7713 15 7722 7713 14 7728 7698 12 7728 7722 12 7734 7683 9 7734 7740 17 7737 7734 18 7653 7647 2 7659 7653 4 7671 7653 9 7671 7677 17 7674 7671 18 7617 7611 2 7623 7617 4 7632 7623 9 7635 7632 10 7638 7632 10 7641 7617 9 7641 7647 17 7644 7641 18 7545 7539 2 7551 7545 4 7560 7551 19 7563 7560 20 7569 7563 22 7575 7569 24 7578 7575 25 7584 7578 12 7590 7584 12 7596 7590 12 7602 7560 26 7602 7575 27 7602 7596 28 7605 7545 9 7605 7611 17 7608 7605 18 7503 7497 2 7509 7503 4 7515 7509 4 7527 7509 29 7533 7503 9 7533 7539 17 7536 7533 18 7482 7476 2 7491 7482 9 7491 7497 17 7494 7491 18 7440 7434 2 7446 7440 4 7452 7446 4 7464 7446 29 7470 7440 9 7470 7476 17 7473 7470 18 7368 7362 2 7374 7368 4 7383 7374 4 7392 7383 4 7401 7392 30 7407 7401 32 7410 7407 32 7419 7407 32 7428 7368 9 7428 7434 17 7431 7428 18 7308 7302 2 7314 7308 4 7323 7314 11 7326 7323 12 7332 7326 12 7338 7332 12 7344 7338 12 7350 7323 12 7350 7344 12 7356 7308 9 7356 7362 17 7359 7356 18 7266 7260 2 7272 7266 4 7278 7272 4 7290 7272 29 7296 7266 9 7296 7302 17 7299 7296 18 7224 7218 2 7230 7224 4 7236 7230 4 7248 7230 29 7254 7224 9 7254 7260 17 7257 7254 18 7167 7161 2 7173 7167 4 7179 7173 4 7191 7173 4 7200 7191 4 7212 7167 9 7212 7218 17 7215 7212 18 7119 7113 2 7125 7119 4 7131 7125 4 7143 7125 4 7155 7119 9 7155 7161 17 7158 7155 18 7047 7041 2 7053 7047 4 7062 7053 4 7071 7062 4 7080 7071 30 7086 7080 32 7089 7086 32 7098 7086 32 7107 7047 9 7107 7113 17 7110 7107 18 6981 6975 2 6987 6981 4 6996 6987 4 7005 6996 4 7014 7005 4 7023 7014 7 7035 6981 9 7035 7041 17 7038 7035 18 6951 6945 2 6957 6951 4 6969 6951 9 6969 6975 17 6972 6969 18 6879 6873 2 6885 6879 4 6894 6885 4 6903 6894 4 6912 6903 30 6918 6912 32 6921 6918 32 6930 6918 32 6939 6879 9 6939 6945 17 6942 6939 18 6837 6831 2 6843 6837 4 6852 6843 9 6855 6852 18 6858 6852 17 6867 6837 9 6867 6873 17 6870 6867 18 6792 6789 2 6801 6792 4 6810 6801 4 6819 6789 2 6819 6810 4 6825 6819 9 6825 6831 17 6828 6825 18 6753 6747 2 6759 6753 4 6765 6759 4 6777 6759 29 6783 6753 9 6783 6789 17 6786 6783 18 6702 6696 2 6708 6702 4 6717 6708 4 6726 6717 9 6729 6726 18 6732 6726 17 6741 6702 9 6741 6747 17 6744 6741 18 6660 6654 2 6666 6660 4 6675 6666 9 6678 6675 18 6681 6675 17 6690 6660 9 6690 6696 17 6693 6690 18 6597 6591 2 6603 6597 4 6612 6603 11 6615 6612 12 6621 6615 12 6627 6621 14 6630 6627 15 6636 6627 14 6642 6612 12 6642 6636 12 6648 6597 9 6648 6654 17 6651 6648 18 6525 6519 2 6531 6525 4 6540 6531 19 6543 6540 20 6549 6543 22 6555 6549 24 6558 6555 25 6564 6558 12 6570 6564 12 6576 6570 12 6582 6540 26 6582 6555 27 6582 6576 28 6585 6525 9 6585 6591 17 6588 6585 18 6453 6447 2 6459 6453 4 6468 6459 4 6477 6468 4 6486 6477 30 6492 6486 32 6495 6492 32 6504 6492 32 6513 6453 9 6513 6519 17 6516 6513 18 6420 6414 2 6426 6420 4 6435 6426 29 6441 6420 9 6441 6447 17 6444 6441 18 6354 6348 2 6360 6354 4 6369 6360 4 6378 6369 4 6387 6378 4 6396 6387 7 6408 6354 9 6408 6414 17 6411 6408 18 6324 6318 2 6330 6324 4 6342 6324 9 6342 6348 17 6345 6342 18 6267 6261 2 6273 6267 4 6282 6273 4 6288 6282 4 6300 6282 4 6312 6267 9 6312 6318 17 6315 6312 18 6225 6219 2 6231 6225 4 6240 6231 9 6243 6240 18 6246 6240 17 6255 6225 9 6255 6261 17 6258 6255 18 6177 6171 2 6183 6177 4 6189 6183 4 6201 6183 4 6213 6177 9 6213 6219 17 6216 6213 18 6147 6141 2 6153 6147 4 6165 6147 9 6165 6171 17 6168 6165 18 6117 6111 2 6123 6117 4 6135 6117 9 6135 6141 17 6138 6135 18 6072 6066 2 6078 6072 4 6087 6078 4 6096 6087 9 6099 6096 10 6102 6096 10 6105 6072 9 6105 6111 17 6108 6105 18 6036 6030 2 6042 6036 4 6051 6042 9 6054 6051 10 6057 6051 10 6060 6036 9 6060 6066 17 6063 6060 18 5964 5958 2 5970 5964 4 5979 5970 19 5982 5979 20 5988 5982 22 5994 5988 24 5997 5994 25 6003 5997 12 6009 6003 12 6015 6009 12 6021 5979 26 6021 5994 27 6021 6015 28 6024 5964 9 6024 6030 17 6027 6024 18 5892 5886 2 5898 5892 4 5907 5898 4 5916 5907 4 5925 5916 30 5931 5925 32 5934 5931 32 5943 5931 32 5952 5892 9 5952 5958 17 5955 5952 18 5826 5820 2 5832 5826 4 5841 5832 4 5850 5841 4 5859 5850 4 5868 5859 7 5880 5826 9 5880 5886 17 5883 5880 18 5775 5769 2 5781 5775 4 5790 5781 4 5799 5790 9 5802 5799 18 5805 5799 17 5814 5775 9 5814 5820 17 5817 5814 18 5724 5718 2 5730 5724 4 5739 5730 4 5748 5739 9 5751 5748 18 5754 5748 17 5763 5724 9 5763 5769 17 5766 5763 18 5667 5661 2 5673 5667 4 5682 5673 4 5688 5682 4 5700 5682 4 5712 5667 9 5712 5718 17 5715 5712 18 5616 5610 2 5622 5616 4 5631 5622 4 5640 5631 33 5643 5640 33 5655 5616 9 5655 5661 17 5658 5655 18 5544 5538 2 5550 5544 4 5559 5550 4 5568 5559 4 5577 5568 30 5583 5577 32 5586 5583 32 5595 5583 32 5604 5544 9 5604 5610 17 5607 5604 18 5487 5481 2 5493 5487 4 5502 5493 4 5508 5502 4 5520 5502 4 5532 5487 9 5532 5538 17 5535 5532 18 5454 5448 2 5460 5454 4 5469 5460 29 5475 5454 9 5475 5481 17 5478 5475 18 5412 5406 2 5418 5412 4 5427 5418 9 5430 5427 18 5433 5427 17 5442 5412 9 5442 5448 17 5445 5442 18 5370 5364 2 5376 5370 4 5382 5376 4 5394 5376 29 5400 5370 9 5400 5406 17 5403 5400 18 5310 5304 2 5316 5310 4 5325 5316 11 5328 5325 12 5334 5328 12 5340 5334 12 5346 5340 12 5352 5325 12 5352 5346 12 5358 5310 9 5358 5364 17 5361 5358 18 5289 5283 2 5298 5289 9 5298 5304 17 5301 5298 18 5259 5253 2 5265 5259 4 5277 5259 9 5277 5283 17 5280 5277 18 5211 5205 2 5217 5211 4 5223 5217 4 5235 5217 4 5247 5211 9 5247 5253 17 5250 5247 18 5190 5184 2 5199 5190 9 5199 5205 17 5202 5199 18 5148 5142 2 5154 5148 4 5160 5154 4 5172 5154 29 5178 5148 9 5178 5184 17 5181 5178 18 5103 5097 2 5109 5103 4 5118 5109 4 5127 5118 9 5130 5127 10 5133 5127 10 5136 5103 9 5136 5142 17 5139 5136 18 5082 5076 2 5091 5082 9 5091 5097 17 5094 5091 18 5031 5025 2 5037 5031 4 5046 5037 4 5055 5046 33 5058 5055 33 5070 5031 9 5070 5076 17 5073 5070 18 4980 4974 2 4986 4980 4 4995 4986 4 5004 4995 9 5007 5004 18 5010 5004 17 5019 4980 9 5019 5025 17 5022 5019 18 4920 4914 2 4926 4920 4 4935 4926 11 4938 4935 12 4944 4938 12 4950 4944 12 4956 4950 12 4962 4935 12 4962 4956 12 4968 4920 9 4968 4974 17 4971 4968 18 4872 4866 2 4878 4872 4 4884 4878 4 4896 4878 4 4908 4872 9 4908 4914 17 4911 4908 18 4821 4815 2 4827 4821 4 4836 4827 4 4845 4836 33 4848 4845 33 4860 4821 9 4860 4866 17 4863 4860 18 4779 4773 2 4785 4779 4 4794 4785 9 4797 4794 18 4800 4794 17 4809 4779 9 4809 4815 17 4812 4809 18 4722 4716 2 4728 4722 4 4734 4728 4 4746 4728 4 4755 4746 4 4767 4722 9 4767 4773 17 4770 4767 18 4692 4686 2 4698 4692 4 4710 4692 9 4710 4716 17 4713 4710 18 4662 4656 2 4668 4662 4 4680 4662 9 4680 4686 17 4683 4680 18 4632 4626 2 4638 4632 4 4650 4632 9 4650 4656 17 4653 4650 18 4560 4554 2 4566 4560 4 4575 4566 4 4584 4575 4 4593 4584 30 4599 4593 32 4602 4599 32 4611 4599 32 4620 4560 9 4620 4626 17 4623 4620 18 4488 4482 2 4494 4488 4 4503 4494 4 4512 4503 4 4521 4512 30 4527 4521 32 4530 4527 32 4539 4527 32 4548 4488 9 4548 4554 17 4551 4548 18 4440 4434 2 4446 4440 4 4452 4446 4 4464 4446 4 4476 4440 9 4476 4482 17 4479 4476 18 4410 4404 2 4416 4410 4 4428 4410 9 4428 4434 17 4431 4428 18 4374 4368 2 4380 4374 4 4389 4380 9 4392 4389 10 4395 4389 10 4398 4374 9 4398 4404 17 4401 4398 18 4317 4311 2 4323 4317 4 4332 4323 4 4338 4332 4 4350 4332 4 4362 4317 9 4362 4368 17 4365 4362 18 4284 4278 2 4290 4284 4 4299 4290 29 4305 4284 9 4305 4311 17 4308 4305 18 4248 4242 2 4254 4248 4 4263 4254 9 4266 4263 10 4269 4263 10 4272 4248 9 4272 4278 17 4275 4272 18 4185 4179 2 4191 4185 4 4200 4191 11 4203 4200 12 4209 4203 12 4215 4209 14 4218 4215 15 4224 4215 14 4230 4200 12 4230 4224 12 4236 4185 9 4236 4242 17 4239 4236 18 4137 4131 2 4143 4137 4 4149 4143 4 4161 4143 4 4173 4137 9 4173 4179 17 4176 4173 18 4092 4089 2 4101 4092 4 4110 4101 4 4119 4089 2 4119 4110 4 4125 4119 9 4125 4131 17 4128 4125 18 4029 4023 2 4035 4029 4 4044 4035 4 4053 4044 4 4062 4053 4 4071 4062 7 4083 4029 9 4083 4089 17 4086 4083 18 3972 3966 2 3978 3972 4 3987 3978 4 3993 3987 4 4005 3987 4 4017 3972 9 4017 4023 17 4020 4017 18 3906 3900 2 3912 3906 4 3921 3912 4 3930 3921 4 3939 3930 4 3948 3939 7 3960 3906 9 3960 3966 17 3963 3960 18 3876 3870 2 3882 3876 4 3894 3876 9 3894 3900 17 3897 3894 18 3834 3828 2 3840 3834 4 3849 3840 9 3852 3849 18 3855 3849 17 3864 3834 9 3864 3870 17 3867 3864 18 3762 3756 2 3768 3762 4 3777 3768 4 3786 3777 4 3795 3786 30 3801 3795 32 3804 3801 32 3813 3801 32 3822 3762 9 3822 3828 17 3825 3822 18 3705 3699 2 3711 3705 4 3720 3711 4 3726 3720 4 3738 3720 4 3750 3705 9 3750 3756 17 3753 3750 18 3648 3642 2 3654 3648 4 3660 3654 4 3672 3654 4 3681 3672 4 3693 3648 9 3693 3699 17 3696 3693 18 3627 3621 2 3636 3627 9 3636 3642 17 3639 3636 18 3555 3549 2 3561 3555 4 3570 3561 4 3579 3570 4 3588 3579 30 3594 3588 32 3597 3594 32 3606 3594 32 3615 3555 9 3615 3621 17 3618 3615 18 3507 3501 2 3513 3507 4 3519 3513 4 3531 3513 4 3543 3507 9 3543 3549 17 3546 3543 18 3477 3471 2 3483 3477 4 3495 3477 9 3495 3501 17 3498 3495 18 3447 3441 2 3453 3447 4 3465 3447 9 3465 3471 17 3468 3465 18 3411 3405 2 3417 3411 4 3426 3417 9 3429 3426 10 3432 3426 10 3435 3411 9 3435 3441 17 3438 3435 18 3363 3357 2 3369 3363 4 3375 3369 4 3387 3369 4 3399 3363 9 3399 3405 17 3402 3399 18 3327 3321 2 3333 3327 4 3342 3333 9 3345 3342 10 3348 3342 10 3351 3327 9 3351 3357 17 3354 3351 18 3276 3270 2 3282 3276 4 3291 3282 4 3300 3291 9 3303 3300 18 3306 3300 17 3315 3276 9 3315 3321 17 3318 3315 18 3234 3228 2 3240 3234 4 3249 3240 9 3252 3249 18 3255 3249 17 3264 3234 9 3264 3270 17 3267 3264 18 3174 3168 2 3180 3174 4 3189 3180 11 3192 3189 12 3198 3192 12 3204 3198 12 3210 3204 12 3216 3189 12 3216 3210 12 3222 3174 9 3222 3228 17 3225 3222 18 3117 3111 2 3123 3117 4 3132 3123 4 3138 3132 4 3150 3132 4 3162 3117 9 3162 3168 17 3165 3162 18 3051 3045 2 3057 3051 4 3066 3057 4 3075 3066 4 3084 3075 4 3093 3084 7 3105 3051 9 3105 3111 17 3108 3105 18 3006 3000 2 3012 3006 4 3021 3012 4 3030 3021 9 3033 3030 10 3036 3030 10 3039 3006 9 3039 3045 17 3042 3039 18 2976 2970 2 2982 2976 4 2994 2976 9 2994 3000 17 2997 2994 18 2931 2925 2 2937 2931 4 2946 2937 4 2955 2946 9 2958 2955 10 2961 2955 10 2964 2931 9 2964 2970 17 2967 2964 18 2895 2889 2 2901 2895 4 2910 2901 9 2913 2910 10 2916 2910 10 2919 2895 9 2919 2925 17 2922 2919 18 2829 2823 2 2835 2829 4 2844 2835 4 2853 2844 4 2862 2853 4 2871 2862 7 2883 2829 9 2883 2889 17 2886 2883 18 2787 2781 2 2793 2787 4 2799 2793 4 2811 2793 29 2817 2787 9 2817 2823 17 2820 2817 18 2730 2724 2 2736 2730 4 2742 2736 4 2754 2736 4 2763 2754 4 2775 2730 9 2775 2781 17 2778 2775 18 2682 2676 2 2688 2682 4 2694 2688 4 2706 2688 4 2718 2682 9 2718 2724 17 2721 2718 18 2661 2655 2 2670 2661 9 2670 2676 17 2673 2670 18 2619 2613 2 2625 2619 4 2634 2625 9 2637 2634 18 2640 2634 17 2649 2619 9 2649 2655 17 2652 2649 18 2577 2571 2 2583 2577 4 2589 2583 4 2601 2583 29 2607 2577 9 2607 2613 17 2610 2607 18 2535 2529 2 2541 2535 4 2550 2541 9 2553 2550 18 2556 2550 17 2565 2535 9 2565 2571 17 2568 2565 18 2463 2457 2 2469 2463 4 2478 2469 4 2487 2478 4 2496 2487 30 2502 2496 32 2505 2502 32 2514 2502 32 2523 2463 9 2523 2529 17 2526 2523 18 2442 2436 2 2451 2442 9 2451 2457 17 2454 2451 18 2385 2379 2 2391 2385 4 2397 2391 4 2409 2391 4 2418 2409 4 2430 2385 9 2430 2436 17 2433 2430 18 2355 2349 2 2361 2355 4 2373 2355 9 2373 2379 17 2376 2373 18 2289 2283 2 2295 2289 4 2304 2295 4 2313 2304 4 2322 2313 4 2331 2322 7 2343 2289 9 2343 2349 17 2346 2343 18 2253 2247 2 2259 2253 4 2268 2259 9 2271 2268 10 2274 2268 10 2277 2253 9 2277 2283 17 2280 2277 18 2196 2190 2 2202 2196 4 2211 2202 4 2217 2211 4 2229 2211 4 2241 2196 9 2241 2247 17 2244 2241 18 2151 2145 2 2157 2151 4 2166 2157 4 2175 2166 9 2178 2175 10 2181 2175 10 2184 2151 9 2184 2190 17 2187 2184 18 2118 2112 2 2124 2118 4 2133 2124 29 2139 2118 9 2139 2145 17 2142 2139 18 2052 2046 2 2058 2052 4 2067 2058 4 2076 2067 4 2085 2076 4 2094 2085 7 2106 2052 9 2106 2112 17 2109 2106 18 2022 2016 2 2028 2022 4 2040 2022 9 2040 2046 17 2043 2040 18 1992 1986 2 1998 1992 4 2010 1992 9 2010 2016 17 2013 2010 18 1950 1944 2 1956 1950 4 1965 1956 9 1968 1965 18 1971 1965 17 1980 1950 9 1980 1986 17 1983 1980 18 1893 1887 2 1899 1893 4 1908 1899 4 1914 1908 4 1926 1908 4 1938 1893 9 1938 1944 17 1941 1938 18 1860 1854 2 1866 1860 4 1875 1866 29 1881 1860 9 1881 1887 17 1884 1881 18 1815 1812 2 1824 1815 4 1833 1824 4 1842 1812 2 1842 1833 4 1848 1842 9 1848 1854 17 1851 1848 18 1785 1779 2 1791 1785 4 1800 1791 29 1806 1785 9 1806 1812 17 1809 1806 18 1719 1713 2 1725 1719 4 1734 1725 4 1743 1734 4 1752 1743 4 1761 1752 7 1773 1719 9 1773 1779 17 1776 1773 18 1677 1671 2 1683 1677 4 1689 1683 4 1701 1683 29 1707 1677 9 1707 1713 17 1710 1707 18 1620 1614 2 1626 1620 4 1635 1626 4 1641 1635 4 1653 1635 4 1665 1620 9 1665 1671 17 1668 1665 18 1563 1557 2 1569 1563 4 1578 1569 4 1584 1578 4 1596 1578 4 1608 1563 9 1608 1614 17 1611 1608 18 1512 1506 2 1518 1512 4 1527 1518 34 1530 1527 35 1533 1530 36 1539 1533 38 1545 1527 39 1545 1539 22 1551 1512 9 1551 1557 17 1554 1551 18 1491 1485 2 1500 1491 9 1500 1506 17 1503 1500 18 1434 1428 2 1440 1434 4 1446 1440 4 1458 1440 4 1467 1458 4 1479 1434 9 1479 1485 17 1482 1479 18 1413 1407 2 1422 1413 9 1422 1428 17 1425 1422 18 1356 1350 2 1362 1356 4 1368 1362 4 1380 1362 4 1389 1380 4 1401 1356 9 1401 1407 17 1404 1401 18 1314 1308 2 1320 1314 4 1326 1320 4 1338 1320 29 1344 1314 9 1344 1350 17 1347 1344 18 1251 1245 2 1257 1251 4 1266 1257 11 1269 1266 12 1275 1269 12 1281 1275 14 1284 1281 15 1290 1281 14 1296 1266 12 1296 1290 12 1302 1251 9 1302 1308 17 1305 1302 18 1188 1182 2 1194 1188 4 1203 1194 11 1206 1203 12 1212 1206 12 1218 1212 14 1221 1218 15 1227 1218 14 1233 1203 12 1233 1227 12 1239 1188 9 1239 1245 17 1242 1239 18 1167 1161 2 1176 1167 9 1176 1182 17 1179 1176 18 1122 1116 2 1128 1122 4 1137 1128 4 1146 1137 9 1149 1146 10 1152 1146 10 1155 1122 9 1155 1161 17 1158 1155 18 1080 1074 2 1086 1080 4 1092 1086 4 1104 1086 29 1110 1080 9 1110 1116 17 1113 1110 18 1044 1038 2 1050 1044 4 1059 1050 9 1062 1059 10 1065 1059 10 1068 1044 9 1068 1074 17 1071 1068 18 978 972 2 984 978 4 993 984 4 1002 993 4 1011 1002 4 1020 1011 7 1032 978 9 1032 1038 17 1035 1032 18 915 909 2 921 915 4 930 921 11 933 930 12 939 933 12 945 939 14 948 945 15 954 945 14 960 930 12 960 954 12 966 915 9 966 972 17 969 966 18 858 852 2 864 858 4 870 864 4 882 864 4 891 882 4 903 858 9 903 909 17 906 903 18 792 786 2 798 792 4 807 798 4 816 807 4 825 816 4 834 825 7 846 792 9 846 852 17 849 846 18 735 729 2 741 735 4 750 741 4 756 750 4 768 750 4 780 735 9 780 786 17 783 780 18 663 657 2 669 663 4 678 669 4 687 678 4 696 687 30 702 696 32 705 702 32 714 702 32 723 663 9 723 729 17 726 723 18 606 600 2 612 606 4 621 612 4 627 621 4 639 621 4 651 606 9 651 657 17 654 651 18 585 579 2 594 585 9 594 600 17 597 594 18 540 534 2 546 540 4 555 546 4 564 555 9 567 564 10 570 564 10 573 540 9 573 579 17 576 573 18 504 498 2 510 504 4 519 510 9 522 519 10 525 519 10 528 504 9 528 534 17 531 528 18 447 441 2 453 447 4 459 453 4 471 453 4 480 471 4 492 447 9 492 498 17 495 492 18 375 369 2 381 375 4 390 381 4 399 390 4 408 399 30 414 408 32 417 414 32 426 414 32 435 375 9 435 441 17 438 435 18 318 312 2 324 318 4 333 324 4 339 333 4 351 333 4 363 318 9 363 369 17 366 363 18 267 261 2 273 267 4 282 273 4 291 282 33 294 291 33 306 267 9 306 312 17 309 306 18 222 216 2 228 222 4 237 228 4 246 237 9 249 246 10 252 246 10 255 222 9 255 261 17 258 255 18 162 156 2 168 162 4 177 168 11 180 177 12 186 180 12 192 186 12 198 192 12 204 177 12 204 198 12 210 162 9 210 216 17 213 210 18 105 99 2 111 105 4 117 111 4 129 111 4 138 129 4 150 105 9 150 156 17 153 150 18 63 57 2 69 63 4 78 69 9 81 78 18 84 78 17 93 63 9 93 99 17 96 93 18 12 0 7 18 12 4 27 18 4 36 27 33 39 36 33 51 12 9 51 57 17 54 51 18 7827 7830 41 7824 7827 42 7821 7827 42 7815 7824 42 7812 7821 42 7809 7812 42 7809 7815 42 7809 7818 41 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 7746 7740 7743 1 7749 7746 7740 2 7752 7746 7749 4 7755 7752 7746 5 7758 7752 7746 5 7758 7752 7755 6 7761 7752 7755 5 7761 7752 7758 5 7764 7761 7752 5 7767 7761 7752 5 7767 7761 7764 6 7770 7761 7764 5 7770 7761 7767 5 7773 7770 7761 5 7776 7770 7761 5 7776 7770 7773 6 7779 7770 7773 5 7779 7770 7776 5 7782 7779 7770 8 7785 7779 7770 8 7785 7779 7782 9 7788 7779 7782 11 7788 7779 7785 11 7791 7788 7779 12 7794 7788 7779 12 7794 7788 7791 13 7797 7788 7779 12 7797 7788 7791 13 7797 7788 7794 13 7800 7746 7749 15 7683 7677 7680 1 7686 7683 7677 2 7689 7683 7686 4 7692 7689 7683 5 7695 7689 7683 5 7695 7689 7692 6 7698 7689 7692 21 7698 7689 7695 21 7704 7701 7698 23 7707 7701 7704 23 7710 7707 7701 23 7713 7707 7710 26 7719 7716 7713 28 7725 7722 7713 26 7728 7722 7725 23 7731 7728 7698 23 7731 7728 7722 23 7734 7683 7686 15 7734 7740 7743 30 7653 7647 7650 1 7656 7653 7647 2 7659 7653 7656 4 7662 7659 7653 5 7665 7659 7653 5 7665 7659 7662 6 7668 7659 7653 5 7668 7659 7662 6 7668 7659 7665 6 7671 7653 7656 15 7671 7677 7680 30 7617 7611 7614 1 7620 7617 7611 2 7623 7617 7620 4 7626 7623 7617 5 7629 7623 7617 5 7629 7623 7626 6 7632 7623 7626 34 7632 7623 7629 34 7641 7617 7620 15 7641 7647 7650 30 7545 7539 7542 1 7548 7545 7539 2 7551 7545 7548 4 7554 7551 7545 5 7557 7551 7545 5 7557 7551 7554 6 7560 7551 7554 36 7560 7551 7557 36 7566 7563 7560 38 7569 7563 7566 40 7572 7569 7563 41 7575 7569 7572 43 7581 7578 7575 46 7584 7578 7581 23 7587 7584 7578 23 7590 7584 7587 23 7593 7590 7584 23 7596 7590 7593 23 7599 7596 7590 23 7602 7596 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1500 1491 1497 15 1500 1506 1509 30 1434 1428 1431 1 1437 1434 1428 2 1440 1434 1437 4 1443 1440 1434 5 1446 1440 1443 5 1449 1446 1440 5 1452 1446 1440 5 1452 1446 1449 6 1455 1446 1440 5 1455 1446 1449 6 1455 1446 1452 6 1458 1440 1443 5 1461 1458 1440 5 1464 1458 1440 5 1464 1458 1461 6 1467 1458 1461 5 1467 1458 1464 5 1470 1467 1458 5 1473 1467 1458 5 1473 1467 1470 6 1476 1467 1458 5 1476 1467 1470 6 1476 1467 1473 6 1479 1434 1437 15 1479 1485 1488 30 1413 1407 1410 1 1416 1413 1407 2 1419 1413 1407 2 1419 1413 1416 59 1422 1413 1416 15 1422 1413 1419 15 1422 1428 1431 30 1356 1350 1353 1 1359 1356 1350 2 1362 1356 1359 4 1365 1362 1356 5 1368 1362 1365 5 1371 1368 1362 5 1374 1368 1362 5 1374 1368 1371 6 1377 1368 1362 5 1377 1368 1371 6 1377 1368 1374 6 1380 1362 1365 5 1383 1380 1362 5 1386 1380 1362 5 1386 1380 1383 6 1389 1380 1383 5 1389 1380 1386 5 1392 1389 1380 5 1395 1389 1380 5 1395 1389 1392 6 1398 1389 1380 5 1398 1389 1392 6 1398 1389 1395 6 1401 1356 1359 15 1401 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1167 1170 59 1176 1167 1170 15 1176 1167 1173 15 1176 1182 1185 30 1122 1116 1119 1 1125 1122 1116 2 1128 1122 1125 4 1131 1128 1122 5 1134 1128 1122 5 1134 1128 1131 6 1137 1128 1131 5 1137 1128 1134 5 1140 1137 1128 5 1143 1137 1128 5 1143 1137 1140 6 1146 1137 1140 34 1146 1137 1143 34 1155 1122 1125 15 1155 1161 1164 30 1080 1074 1077 1 1083 1080 1074 2 1086 1080 1083 4 1089 1086 1080 4 1092 1086 1089 4 1095 1092 1086 5 1098 1092 1086 5 1098 1092 1095 6 1101 1092 1086 5 1101 1092 1095 6 1101 1092 1098 6 1104 1086 1089 57 1107 1104 1086 58 1110 1080 1083 15 1110 1116 1119 30 1044 1038 1041 1 1047 1044 1038 2 1050 1044 1047 4 1053 1050 1044 5 1056 1050 1044 5 1056 1050 1053 6 1059 1050 1053 34 1059 1050 1056 34 1068 1044 1047 15 1068 1074 1077 30 978 972 975 1 981 978 972 2 984 978 981 4 987 984 978 5 990 984 978 5 990 984 987 6 993 984 987 5 993 984 990 5 996 993 984 5 999 993 984 5 999 993 996 6 1002 993 996 5 1002 993 999 5 1005 1002 993 5 1008 1002 993 5 1008 1002 1005 6 1011 1002 1005 5 1011 1002 1008 5 1014 1011 1002 8 1017 1011 1002 8 1017 1011 1014 9 1020 1011 1014 11 1020 1011 1017 11 1023 1020 1011 12 1026 1020 1011 12 1026 1020 1023 13 1029 1020 1011 12 1029 1020 1023 13 1029 1020 1026 13 1032 978 981 15 1032 1038 1041 30 915 909 912 1 918 915 909 2 921 915 918 4 924 921 915 5 927 921 915 5 927 921 924 6 930 921 924 21 930 921 927 21 936 933 930 23 939 933 936 23 942 939 933 23 945 939 942 26 951 948 945 28 957 954 945 26 960 954 957 23 963 960 930 23 963 960 954 23 966 915 918 15 966 972 975 30 858 852 855 1 861 858 852 2 864 858 861 4 867 864 858 5 870 864 867 5 873 870 864 5 876 870 864 5 876 870 873 6 879 870 864 5 879 870 873 6 879 870 876 6 882 864 867 5 885 882 864 5 888 882 864 5 888 882 885 6 891 882 885 5 891 882 888 5 894 891 882 5 897 891 882 5 897 891 894 6 900 891 882 5 900 891 894 6 900 891 897 6 903 858 861 15 903 909 912 30 792 786 789 1 795 792 786 2 798 792 795 4 801 798 792 5 804 798 792 5 804 798 801 6 807 798 801 5 807 798 804 5 810 807 798 5 813 807 798 5 813 807 810 6 816 807 810 5 816 807 813 5 819 816 807 5 822 816 807 5 822 816 819 6 825 816 819 5 825 816 822 5 828 825 816 8 831 825 816 8 831 825 828 9 834 825 828 11 834 825 831 11 837 834 825 12 840 834 825 12 840 834 837 13 843 834 825 12 843 834 837 13 843 834 840 13 846 792 795 15 846 852 855 30 735 729 732 1 738 735 729 2 741 735 738 4 744 741 735 5 747 741 735 5 747 741 744 6 750 741 744 5 750 741 747 5 753 750 741 5 756 750 753 5 759 756 750 5 762 756 750 5 762 756 759 6 765 756 750 5 765 756 759 6 765 756 762 6 768 750 753 5 771 768 750 5 774 768 750 5 774 768 771 6 777 768 750 5 777 768 771 6 777 768 774 6 780 735 738 15 780 786 789 30 663 657 660 1 666 663 657 2 669 663 666 4 672 669 663 5 675 669 663 5 675 669 672 6 678 669 672 5 678 669 675 5 681 678 669 5 684 678 669 5 684 678 681 6 687 678 681 5 687 678 684 5 690 687 678 4 693 687 678 4 693 687 690 59 696 687 690 61 696 687 693 61 699 696 687 62 702 696 699 64 708 705 702 64 711 705 702 64 711 705 708 66 717 714 702 64 720 714 702 64 720 714 717 66 723 663 666 15 723 729 732 30 606 600 603 1 609 606 600 2 612 606 609 4 615 612 606 5 618 612 606 5 618 612 615 6 621 612 615 5 621 612 618 5 624 621 612 5 627 621 624 5 630 627 621 5 633 627 621 5 633 627 630 6 636 627 621 5 636 627 630 6 636 627 633 6 639 621 624 5 642 639 621 5 645 639 621 5 645 639 642 6 648 639 621 5 648 639 642 6 648 639 645 6 651 606 609 15 651 657 660 30 585 579 582 1 588 585 579 2 591 585 579 2 591 585 588 59 594 585 588 15 594 585 591 15 594 600 603 30 540 534 537 1 543 540 534 2 546 540 543 4 549 546 540 5 552 546 540 5 552 546 549 6 555 546 549 5 555 546 552 5 558 555 546 5 561 555 546 5 561 555 558 6 564 555 558 34 564 555 561 34 573 540 543 15 573 579 582 30 504 498 501 1 507 504 498 2 510 504 507 4 513 510 504 5 516 510 504 5 516 510 513 6 519 510 513 34 519 510 516 34 528 504 507 15 528 534 537 30 447 441 444 1 450 447 441 2 453 447 450 4 456 453 447 5 459 453 456 5 462 459 453 5 465 459 453 5 465 459 462 6 468 459 453 5 468 459 462 6 468 459 465 6 471 453 456 5 474 471 453 5 477 471 453 5 477 471 474 6 480 471 474 5 480 471 477 5 483 480 471 5 486 480 471 5 486 480 483 6 489 480 471 5 489 480 483 6 489 480 486 6 492 447 450 15 492 498 501 30 375 369 372 1 378 375 369 2 381 375 378 4 384 381 375 5 387 381 375 5 387 381 384 6 390 381 384 5 390 381 387 5 393 390 381 5 396 390 381 5 396 390 393 6 399 390 393 5 399 390 396 5 402 399 390 4 405 399 390 4 405 399 402 59 408 399 402 61 408 399 405 61 411 408 399 62 414 408 411 64 420 417 414 64 423 417 414 64 423 417 420 66 429 426 414 64 432 426 414 64 432 426 429 66 435 375 378 15 435 441 444 30 318 312 315 1 321 318 312 2 324 318 321 4 327 324 318 5 330 324 318 5 330 324 327 6 333 324 327 5 333 324 330 5 336 333 324 5 339 333 336 5 342 339 333 5 345 339 333 5 345 339 342 6 348 339 333 5 348 339 342 6 348 339 345 6 351 333 336 5 354 351 333 5 357 351 333 5 357 351 354 6 360 351 333 5 360 351 354 6 360 351 357 6 363 318 321 15 363 369 372 30 267 261 264 1 270 267 261 2 273 267 270 4 276 273 267 5 279 273 267 5 279 273 276 6 282 273 276 5 282 273 279 5 285 282 273 4 288 282 273 4 288 282 285 59 291 282 285 70 291 282 288 70 297 294 291 70 300 294 291 70 300 294 297 59 303 294 291 70 303 294 297 59 303 294 300 59 306 267 270 15 306 312 315 30 222 216 219 1 225 222 216 2 228 222 225 4 231 228 222 5 234 228 222 5 234 228 231 6 237 228 231 5 237 228 234 5 240 237 228 5 243 237 228 5 243 237 240 6 246 237 240 34 246 237 243 34 255 222 225 15 255 261 264 30 162 156 159 1 165 162 156 2 168 162 165 4 171 168 162 5 174 168 162 5 174 168 171 6 177 168 171 21 177 168 174 21 183 180 177 23 186 180 183 23 189 186 180 23 192 186 189 23 195 192 186 23 198 192 195 23 201 198 192 23 204 198 201 23 207 204 177 23 207 204 198 23 210 162 165 15 210 216 219 30 105 99 102 1 108 105 99 2 111 105 108 4 114 111 105 5 117 111 114 5 120 117 111 5 123 117 111 5 123 117 120 6 126 117 111 5 126 117 120 6 126 117 123 6 129 111 114 5 132 129 111 5 135 129 111 5 135 129 132 6 138 129 132 5 138 129 135 5 141 138 129 5 144 138 129 5 144 138 141 6 147 138 129 5 147 138 141 6 147 138 144 6 150 105 108 15 150 156 159 30 63 57 60 1 66 63 57 2 69 63 66 4 72 69 63 5 75 69 63 5 75 69 72 6 78 69 72 34 78 69 75 34 87 84 78 30 90 84 78 30 90 84 87 67 93 63 66 15 93 99 102 30 6 0 3 13 9 0 3 13 9 0 6 13 12 0 3 12 12 0 6 12 12 0 9 12 15 12 0 11 18 12 15 8 21 18 12 5 24 18 12 5 24 18 21 6 27 18 21 5 27 18 24 5 30 27 18 4 33 27 18 4 33 27 30 59 36 27 30 70 36 27 33 70 42 39 36 70 45 39 36 70 45 39 42 59 48 39 36 70 48 39 42 59 48 39 45 59 51 12 15 86 51 57 60 30 7857 7830 7860 87 7854 7830 7857 87 7854 7830 7860 87 7842 7818 7845 87 7839 7818 7842 87 7839 7818 7845 87 7827 7821 7848 88 7827 7824 7851 88 7827 7830 7854 89 7827 7830 7857 89 7827 7830 7860 89 7824 7815 7836 88 7821 7812 7833 88 7815 7824 7851 88 7812 7821 7848 88 7809 7812 7833 88 7809 7815 7836 88 7809 7818 7839 89 7809 7818 7842 89 7809 7818 7845 89 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 7752 7746 7740 3 7761 7752 7746 7 7770 7761 7752 7 7779 7770 7761 7 7788 7779 7770 10 7800 7746 7740 14 7800 7746 7752 16 7803 7800 7746 17 7806 7800 7746 17 7806 7800 7803 18 7683 7734 7740 19 7689 7683 7677 3 7698 7689 7683 20 7701 7698 7689 22 7707 7701 7698 24 7713 7707 7701 25 7716 7713 7707 27 7722 7713 7707 29 7722 7713 7716 27 7722 7728 7698 24 7728 7698 7689 22 7728 7698 7701 24 7728 7722 7713 25 7734 7683 7677 14 7734 7683 7689 16 7734 7740 7746 31 7737 7734 7683 32 7737 7734 7740 33 7653 7671 7677 19 7659 7653 7647 3 7671 7653 7647 14 7671 7653 7659 16 7671 7677 7683 31 7674 7671 7653 32 7674 7671 7677 33 7617 7641 7647 19 7623 7617 7611 3 7632 7623 7617 16 7635 7632 7623 17 7638 7632 7623 17 7638 7632 7635 18 7641 7617 7611 14 7641 7617 7623 16 7641 7647 7653 31 7644 7641 7617 32 7644 7641 7647 33 7545 7605 7611 19 7551 7545 7539 3 7560 7551 7545 35 7563 7560 7551 37 7569 7563 7560 39 7575 7569 7563 42 7575 7602 7560 44 7578 7575 7569 45 7584 7578 7575 47 7590 7584 7578 24 7596 7590 7584 24 7596 7602 7560 48 7596 7602 7575 49 7602 7560 7551 50 7602 7560 7563 51 7602 7575 7569 52 7602 7575 7578 53 7602 7596 7590 54 7605 7545 7539 14 7605 7545 7551 16 7605 7611 7617 31 7608 7605 7545 32 7608 7605 7611 33 7503 7533 7539 19 7509 7503 7497 3 7515 7509 7503 7 7527 7509 7503 56 7527 7509 7515 56 7533 7503 7497 14 7533 7503 7509 16 7533 7539 7545 31 7536 7533 7503 32 7536 7533 7539 33 7482 7491 7497 19 7491 7482 7476 14 7491 7497 7503 31 7494 7491 7482 32 7494 7491 7497 33 7440 7470 7476 19 7446 7440 7434 3 7452 7446 7440 7 7464 7446 7440 56 7464 7446 7452 56 7470 7440 7434 14 7470 7440 7446 16 7470 7476 7482 31 7473 7470 7440 32 7473 7470 7476 33 7368 7428 7434 19 7374 7368 7362 3 7383 7374 7368 7 7392 7383 7374 7 7401 7392 7383 60 7407 7401 7392 63 7410 7407 7401 65 7419 7407 7401 65 7419 7407 7410 65 7428 7368 7362 14 7428 7368 7374 16 7428 7434 7440 31 7431 7428 7368 32 7431 7428 7434 33 7308 7356 7362 19 7314 7308 7302 3 7323 7314 7308 20 7326 7323 7314 22 7332 7326 7323 24 7338 7332 7326 24 7344 7338 7332 24 7344 7350 7323 24 7350 7323 7314 22 7350 7323 7326 24 7350 7344 7338 24 7356 7308 7302 14 7356 7308 7314 16 7356 7362 7368 31 7359 7356 7308 32 7359 7356 7362 33 7266 7296 7302 19 7272 7266 7260 3 7278 7272 7266 7 7290 7272 7266 56 7290 7272 7278 56 7296 7266 7260 14 7296 7266 7272 16 7296 7302 7308 31 7299 7296 7266 32 7299 7296 7302 33 7224 7254 7260 19 7230 7224 7218 3 7236 7230 7224 7 7248 7230 7224 56 7248 7230 7236 56 7254 7224 7218 14 7254 7224 7230 16 7254 7260 7266 31 7257 7254 7224 32 7257 7254 7260 33 7167 7212 7218 19 7173 7167 7161 3 7179 7173 7167 7 7191 7173 7167 7 7191 7173 7179 7 7200 7191 7173 7 7212 7167 7161 14 7212 7167 7173 16 7212 7218 7224 31 7215 7212 7167 32 7215 7212 7218 33 7119 7155 7161 19 7125 7119 7113 3 7131 7125 7119 7 7143 7125 7119 7 7143 7125 7131 7 7155 7119 7113 14 7155 7119 7125 16 7155 7161 7167 31 7158 7155 7119 32 7158 7155 7161 33 7047 7107 7113 19 7053 7047 7041 3 7062 7053 7047 7 7071 7062 7053 7 7080 7071 7062 60 7086 7080 7071 63 7089 7086 7080 65 7098 7086 7080 65 7098 7086 7089 65 7107 7047 7041 14 7107 7047 7053 16 7107 7113 7119 31 7110 7107 7047 32 7110 7107 7113 33 6981 7035 7041 19 6987 6981 6975 3 6996 6987 6981 7 7005 6996 6987 7 7014 7005 6996 7 7023 7014 7005 10 7035 6981 6975 14 7035 6981 6987 16 7035 7041 7047 31 7038 7035 6981 32 7038 7035 7041 33 6951 6969 6975 19 6957 6951 6945 3 6969 6951 6945 14 6969 6951 6957 16 6969 6975 6981 31 6972 6969 6951 32 6972 6969 6975 33 6879 6939 6945 19 6885 6879 6873 3 6894 6885 6879 7 6903 6894 6885 7 6912 6903 6894 60 6918 6912 6903 63 6921 6918 6912 65 6930 6918 6912 65 6930 6918 6921 65 6939 6879 6873 14 6939 6879 6885 16 6939 6945 6951 31 6942 6939 6879 32 6942 6939 6945 33 6837 6867 6873 19 6843 6837 6831 3 6852 6843 6837 16 6855 6852 6843 32 6858 6852 6843 19 6858 6852 6855 33 6867 6837 6831 14 6867 6837 6843 16 6867 6873 6879 31 6870 6867 6837 32 6870 6867 6873 33 6801 6792 6789 3 6810 6801 6792 7 6810 6819 6789 3 6819 6789 6792 68 6819 6810 6801 7 6819 6825 6831 19 6825 6819 6789 14 6825 6819 6810 16 6825 6831 6837 31 6828 6825 6819 32 6828 6825 6831 33 6753 6783 6789 19 6759 6753 6747 3 6765 6759 6753 7 6777 6759 6753 56 6777 6759 6765 56 6783 6753 6747 14 6783 6753 6759 16 6783 6789 6792 31 6783 6789 6819 31 6786 6783 6753 32 6786 6783 6789 33 6702 6741 6747 19 6708 6702 6696 3 6717 6708 6702 7 6726 6717 6708 16 6729 6726 6717 32 6732 6726 6717 19 6732 6726 6729 33 6741 6702 6696 14 6741 6702 6708 16 6741 6747 6753 31 6744 6741 6702 32 6744 6741 6747 33 6660 6690 6696 19 6666 6660 6654 3 6675 6666 6660 16 6678 6675 6666 32 6681 6675 6666 19 6681 6675 6678 33 6690 6660 6654 14 6690 6660 6666 16 6690 6696 6702 31 6693 6690 6660 32 6693 6690 6696 33 6597 6648 6654 19 6603 6597 6591 3 6612 6603 6597 20 6615 6612 6603 22 6621 6615 6612 24 6627 6621 6615 25 6630 6627 6621 27 6636 6627 6621 29 6636 6627 6630 27 6636 6642 6612 24 6642 6612 6603 22 6642 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1356 32 1404 1401 1407 33 1314 1344 1350 19 1320 1314 1308 3 1326 1320 1314 7 1338 1320 1314 56 1338 1320 1326 56 1344 1314 1308 14 1344 1314 1320 16 1344 1350 1356 31 1347 1344 1314 32 1347 1344 1350 33 1251 1302 1308 19 1257 1251 1245 3 1266 1257 1251 20 1269 1266 1257 22 1275 1269 1266 24 1281 1275 1269 25 1284 1281 1275 27 1290 1281 1275 29 1290 1281 1284 27 1290 1296 1266 24 1296 1266 1257 22 1296 1266 1269 24 1296 1290 1281 25 1302 1251 1245 14 1302 1251 1257 16 1302 1308 1314 31 1305 1302 1251 32 1305 1302 1308 33 1188 1239 1245 19 1194 1188 1182 3 1203 1194 1188 20 1206 1203 1194 22 1212 1206 1203 24 1218 1212 1206 25 1221 1218 1212 27 1227 1218 1212 29 1227 1218 1221 27 1227 1233 1203 24 1233 1203 1194 22 1233 1203 1206 24 1233 1227 1218 25 1239 1188 1182 14 1239 1188 1194 16 1239 1245 1251 31 1242 1239 1188 32 1242 1239 1245 33 1167 1176 1182 19 1176 1167 1161 14 1176 1182 1188 31 1179 1176 1167 32 1179 1176 1182 33 1122 1155 1161 19 1128 1122 1116 3 1137 1128 1122 7 1146 1137 1128 16 1149 1146 1137 17 1152 1146 1137 17 1152 1146 1149 18 1155 1122 1116 14 1155 1122 1128 16 1155 1161 1167 31 1158 1155 1122 32 1158 1155 1161 33 1080 1110 1116 19 1086 1080 1074 3 1092 1086 1080 7 1104 1086 1080 56 1104 1086 1092 56 1110 1080 1074 14 1110 1080 1086 16 1110 1116 1122 31 1113 1110 1080 32 1113 1110 1116 33 1044 1068 1074 19 1050 1044 1038 3 1059 1050 1044 16 1062 1059 1050 17 1065 1059 1050 17 1065 1059 1062 18 1068 1044 1038 14 1068 1044 1050 16 1068 1074 1080 31 1071 1068 1044 32 1071 1068 1074 33 978 1032 1038 19 984 978 972 3 993 984 978 7 1002 993 984 7 1011 1002 993 7 1020 1011 1002 10 1032 978 972 14 1032 978 984 16 1032 1038 1044 31 1035 1032 978 32 1035 1032 1038 33 915 966 972 19 921 915 909 3 930 921 915 20 933 930 921 22 939 933 930 24 945 939 933 25 948 945 939 27 954 945 939 29 954 945 948 27 954 960 930 24 960 930 921 22 960 930 933 24 960 954 945 25 966 915 909 14 966 915 921 16 966 972 978 31 969 966 915 32 969 966 972 33 858 903 909 19 864 858 852 3 870 864 858 7 882 864 858 7 882 864 870 7 891 882 864 7 903 858 852 14 903 858 864 16 903 909 915 31 906 903 858 32 906 903 909 33 792 846 852 19 798 792 786 3 807 798 792 7 816 807 798 7 825 816 807 7 834 825 816 10 846 792 786 14 846 792 798 16 846 852 858 31 849 846 792 32 849 846 852 33 735 780 786 19 741 735 729 3 750 741 735 7 756 750 741 7 768 750 741 7 768 750 756 7 780 735 729 14 780 735 741 16 780 786 792 31 783 780 735 32 783 780 786 33 663 723 729 19 669 663 657 3 678 669 663 7 687 678 669 7 696 687 678 60 702 696 687 63 705 702 696 65 714 702 696 65 714 702 705 65 723 663 657 14 723 663 669 16 723 729 735 31 726 723 663 32 726 723 729 33 606 651 657 19 612 606 600 3 621 612 606 7 627 621 612 7 639 621 612 7 639 621 627 7 651 606 600 14 651 606 612 16 651 657 663 31 654 651 606 32 654 651 657 33 585 594 600 19 594 585 579 14 594 600 606 31 597 594 585 32 597 594 600 33 540 573 579 19 546 540 534 3 555 546 540 7 564 555 546 16 567 564 555 17 570 564 555 17 570 564 567 18 573 540 534 14 573 540 546 16 573 579 585 31 576 573 540 32 576 573 579 33 504 528 534 19 510 504 498 3 519 510 504 16 522 519 510 17 525 519 510 17 525 519 522 18 528 504 498 14 528 504 510 16 528 534 540 31 531 528 504 32 531 528 534 33 447 492 498 19 453 447 441 3 459 453 447 7 471 453 447 7 471 453 459 7 480 471 453 7 492 447 441 14 492 447 453 16 492 498 504 31 495 492 447 32 495 492 498 33 375 435 441 19 381 375 369 3 390 381 375 7 399 390 381 7 408 399 390 60 414 408 399 63 417 414 408 65 426 414 408 65 426 414 417 65 435 375 369 14 435 375 381 16 435 441 447 31 438 435 375 32 438 435 441 33 318 363 369 19 324 318 312 3 333 324 318 7 339 333 324 7 351 333 324 7 351 333 339 7 363 318 312 14 363 318 324 16 363 369 375 31 366 363 318 32 366 363 369 33 267 306 312 19 273 267 261 3 282 273 267 7 291 282 273 69 294 291 282 71 306 267 261 14 306 267 273 16 306 312 318 31 309 306 267 32 309 306 312 33 222 255 261 19 228 222 216 3 237 228 222 7 246 237 228 16 249 246 237 17 252 246 237 17 252 246 249 18 255 222 216 14 255 222 228 16 255 261 267 31 258 255 222 32 258 255 261 33 162 210 216 19 168 162 156 3 177 168 162 20 180 177 168 22 186 180 177 24 192 186 180 24 198 192 186 24 198 204 177 24 204 177 168 22 204 177 180 24 204 198 192 24 210 162 156 14 210 162 168 16 210 216 222 31 213 210 162 32 213 210 216 33 105 150 156 19 111 105 99 3 117 111 105 7 129 111 105 7 129 111 117 7 138 129 111 7 150 105 99 14 150 105 111 16 150 156 162 31 153 150 105 32 153 150 156 33 63 93 99 19 69 63 57 3 78 69 63 16 81 78 69 32 84 78 69 19 84 78 81 33 93 63 57 14 93 63 69 16 93 99 105 31 96 93 63 32 96 93 99 33 12 51 57 19 18 12 0 10 27 18 12 7 36 27 18 69 39 36 27 71 51 12 0 85 51 12 18 16 51 57 63 31 54 51 12 32 54 51 57 33 7824 7827 7830 90 7821 7827 7824 91 7821 7827 7830 90 7815 7809 7818 90 7815 7824 7827 91 7812 7809 7815 91 7812 7809 7818 90 7812 7821 7827 91 7809 7812 7821 91 7809 7815 7824 91 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 7749 7746 7740 7743 1 7752 7746 7740 7743 1 7755 7752 7746 7740 2 7755 7752 7746 7749 2 7758 7752 7746 7740 2 7758 7752 7746 7749 2 7761 7752 7746 7749 2 7764 7761 7752 7746 2 7764 7761 7752 7755 2 7764 7761 7752 7758 2 7767 7761 7752 7746 2 7767 7761 7752 7755 2 7767 7761 7752 7758 2 7770 7761 7752 7755 2 7770 7761 7752 7758 2 7773 7770 7761 7752 2 7773 7770 7761 7764 2 7773 7770 7761 7767 2 7776 7770 7761 7752 2 7776 7770 7761 7764 2 7776 7770 7761 7767 2 7779 7770 7761 7764 2 7779 7770 7761 7767 2 7782 7779 7770 7761 2 7782 7779 7770 7773 2 7782 7779 7770 7776 2 7785 7779 7770 7761 2 7785 7779 7770 7773 2 7785 7779 7770 7776 2 7788 7779 7770 7773 2 7788 7779 7770 7776 2 7791 7788 7779 7770 2 7791 7788 7779 7782 2 7791 7788 7779 7785 2 7794 7788 7779 7770 2 7794 7788 7779 7782 2 7794 7788 7779 7785 2 7797 7788 7779 7770 2 7797 7788 7779 7782 2 7797 7788 7779 7785 2 7800 7746 7740 7743 1 7800 7746 7752 7755 2 7800 7746 7752 7758 2 7803 7800 7746 7749 1 7806 7800 7746 7749 1 7683 7734 7740 7743 5 7686 7683 7677 7680 1 7686 7683 7734 7740 1 7689 7683 7677 7680 1 7692 7689 7683 7677 2 7692 7689 7683 7686 2 7695 7689 7683 7677 2 7695 7689 7683 7686 2 7698 7689 7683 7686 2 7701 7698 7689 7692 1 7701 7698 7689 7695 1 7704 7701 7698 7689 8 7710 7707 7701 7698 8 7710 7707 7701 7704 8 7713 7707 7701 7704 8 7716 7713 7707 7710 8 7719 7716 7713 7707 9 7722 7713 7707 7710 8 7722 7713 7716 7719 9 7725 7722 7713 7707 8 7725 7722 7713 7716 8 7725 7722 7728 7698 8 7728 7698 7689 7692 1 7728 7698 7689 7695 1 7728 7698 7701 7704 8 7731 7728 7698 7689 8 7731 7728 7698 7701 8 7731 7728 7722 7713 8 7731 7728 7722 7725 8 7734 7683 7677 7680 1 7734 7683 7689 7692 2 7734 7683 7689 7695 2 7734 7740 7746 7749 1 7737 7734 7683 7686 1 7737 7734 7740 7743 13 7737 7734 -7740 7743 5 7653 7671 7677 7680 5 7656 7653 7647 7650 1 7656 7653 7671 7677 1 7659 7653 7647 7650 1 7662 7659 7653 7647 2 7662 7659 7653 7656 2 7665 7659 7653 7647 2 7665 7659 7653 7656 2 7668 7659 7653 7647 2 7668 7659 7653 7656 2 7671 7653 7647 7650 1 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7305 1 7311 7308 7356 7362 1 7314 7308 7302 7305 1 7317 7314 7308 7302 2 7317 7314 7308 7311 2 7320 7314 7308 7302 2 7320 7314 7308 7311 2 7323 7314 7308 7311 2 7326 7323 7314 7317 1 7326 7323 7314 7320 1 7329 7326 7323 7314 8 7335 7332 7326 7323 8 7335 7332 7326 7329 8 7338 7332 7326 7329 8 7341 7338 7332 7326 8 7341 7338 7332 7335 8 7344 7338 7332 7335 8 7347 7344 7338 7332 8 7347 7344 7338 7341 8 7347 7344 7350 7323 8 7350 7323 7314 7317 1 7350 7323 7314 7320 1 7350 7323 7326 7329 8 7350 7344 7338 7341 8 7353 7350 7323 7314 8 7353 7350 7323 7326 8 7353 7350 7344 7338 8 7353 7350 7344 7347 8 7356 7308 7302 7305 1 7356 7308 7314 7317 2 7356 7308 7314 7320 2 7356 7362 7368 7371 1 7359 7356 7308 7311 1 7359 7356 7362 7365 13 7359 7356 -7362 7365 5 7266 7296 7302 7305 5 7269 7266 7260 7263 1 7269 7266 7296 7302 1 7272 7266 7260 7263 1 7275 7272 7266 7260 2 7275 7272 7266 7269 2 7278 7272 7266 7269 2 7281 7278 7272 7266 2 7281 7278 7272 7275 2 7284 7278 7272 7266 2 7284 7278 7272 7275 2 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2455 2456 2457 2456 2457 2458 2459 2460 2461 2462 2477 2478 2479 2457 2458 2459 2477 2458 2459 2460 2461 2462 2463 2464 2465 2477 2478 2479 2480 2481 2459 2460 2461 2462 2477 2478 2479 2460 2461 2462 2463 2464 2465 2466 2467 2468 2477 2478 2479 2461 2462 2463 2464 2465 2477 2462 2463 2464 2465 2477 2463 2464 2465 2466 2467 2468 2469 2470 2477 2464 2465 2466 2467 2468 2465 2466 2467 2468 2466 2467 2468 2469 2470 2471 2474 2467 2468 2469 2470 2468 2469 2470 2469 2470 2471 2472 2473 2474 2475 2476 2470 2471 2474 2471 2472 2473 2474 2475 2476 2472 2473 2474 2475 2476 2473 2474 2474 2475 2476 2476 0 2478 2479 2480 2481 2482 2483 2491 2479 2480 2481 2480 2481 2482 2483 2484 2485 2489 2491 2492 2493 2481 2482 2483 2491 2482 2483 2484 2485 2486 2487 2488 2489 2490 2491 2492 2493 2494 2495 2483 2484 2485 2489 2491 2492 2493 2484 2485 2486 2487 2488 2489 2490 2491 2492 2493 2485 2486 2487 2488 2489 2490 2491 2486 2487 2488 2489 2490 2491 2487 2488 2489 2488 2489 2489 2490 2491 0 2492 2493 2494 2495 2496 2497 2498 2493 2494 2495 2494 2495 2496 2497 2498 2499 2500 2495 2496 2497 2498 2496 2497 2498 2499 2500 2501 2502 2497 2498 2499 2500 2498 2499 2500 2499 2500 2501 2502 2503 2504 2512 2500 2501 2502 2501 2502 2503 2504 2505 2506 2510 2512 2513 2514 2502 2503 2504 2512 2503 2504 2505 2506 2507 2508 2509 2510 2511 2512 2513 2514 2515 2516 2504 2505 2506 2510 2512 2513 2514 2505 2506 2507 2508 2509 2510 2511 2512 2513 2514 2506 2507 2508 2509 2510 2511 2512 2507 2508 2509 2510 2511 2512 2508 2509 2510 2509 2510 2510 2511 2512 0 2513 2514 2515 2516 2517 2518 2536 2514 2515 2516 2515 2516 2517 2518 2519 2520 2521 2536 2537 2538 2516 2517 2518 2536 2517 2518 2519 2520 2521 2522 2535 2536 2537 2538 2539 2540 2518 2519 2520 2521 2536 2537 2538 2519 2520 2521 2522 2523 2524 2526 2533 2535 2536 2537 2538 2520 2521 2522 2535 2536 2521 2522 2535 2536 2522 2523 2524 2525 2526 2527 2531 2533 2534 2535 2536 2523 2524 2525 2526 2527 2533 2535 2524 2525 2526 2535 2525 2526 2527 2528 2529 2533 2535 2526 2527 2535 2527 2528 2529 2530 2531 2533 2534 2535 2528 2529 2530 2531 2532 2533 2535 2529 2530 2531 2535 2530 2531 2532 2533 2534 2535 2531 2532 2533 2532 2533 2534 2535 2533 2534 2535 2534 2535 2535 0 2537 2538 2539 2540 2541 2542 2548 2538 2539 2540 2539 2540 2541 2542 2543 2544 2545 2548 2549 2550 2540 2541 2542 2548 2541 2542 2543 2544 2545 2546 2547 2548 2549 2550 2551 2552 2542 2543 2544 2545 2548 2549 2550 2543 2544 2545 2546 2547 2548 2549 2550 2544 2545 2546 2547 2548 2545 2546 2547 2548 2546 2547 2548 2547 0 2549 2550 2551 2552 2553 2554 2558 2550 2551 2552 2551 2552 2553 2554 2555 2556 2557 2558 2559 2560 2552 2553 2554 2558 2553 2554 2555 2556 2557 2558 2559 2560 2561 2562 2554 2555 2556 2557 2558 2559 2560 2555 2556 2557 2558 2559 2560 2556 2557 2558 2557 2558 2558 2559 2560 2561 2562 2563 2564 2579 2560 2561 2562 2561 2562 2563 2564 2565 2566 2567 2579 2580 2581 2562 2563 2564 2579 2563 2564 2565 2566 2567 2568 2577 2579 2580 2581 2582 2583 2564 2565 2566 2567 2579 2580 2581 2565 2566 2567 2568 2569 2570 2575 2577 2578 2579 2580 2581 2566 2567 2568 2577 2579 2567 2568 2577 2579 2568 2569 2570 2571 2572 2575 2576 2577 2578 2579 2569 2570 2571 2572 2573 2575 2577 2578 2570 2571 2572 2577 2571 2572 2573 2574 2575 2576 2577 2572 2573 2575 2573 2574 2575 2576 2577 2578 2574 2575 2576 2577 2575 2576 2577 2578 2577 2578 2578 0 2580 2581 2582 2583 2584 2585 2601 2581 2582 2583 2582 2583 2584 2585 2586 2587 2588 2601 2602 2603 2583 2584 2585 2601 2584 2585 2586 2587 2588 2589 2590 2591 2601 2602 2603 2585 2586 2587 2588 2601 2602 2603 2586 2587 2588 2589 2590 2591 2592 2593 2594 2601 2602 2603 2587 2588 2589 2590 2591 2601 2588 2589 2590 2591 2601 2589 2590 2591 2592 2593 2594 2595 2596 2597 2601 2590 2591 2592 2593 2594 2591 2592 2593 2594 2592 2593 2594 2595 2596 2597 2598 2599 2600 2593 2594 2595 2596 2597 2594 2595 2596 2597 2595 2596 2597 2598 2599 2600 2596 2597 2598 2599 2600 2597 2598 2599 2600 2598 2599 2600 2599 2600 2600 0 2602 2603 2603 0 2605 2606 2607 2608 2609 2610 2612 2613 2614 2615 2616 2617 2618 2606 2607 2608 2609 2610 2611 2612 2613 2614 2615 2616 2617 2607 2608 2609 2610 2611 2612 2613 2614 2615 2616 2618 2608 2609 2612 2613 2614 2615 2616 2609 2610 2611 2612 2617 2618 2619 2620 2621 2610 2611 2613 2617 2618 2619 2620 2621 2611 2612 2613 2617 2618 2619 2620 2621 2617 2618 2619 2620 2621 2617 2618 2615 2616 2616 0 0 0 2620 2621 2621 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) N3 H H H CT HP CT HC HC CT H1 H1 S CT H1 H1 H1 C O N H CT H1 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 CA CA HA CA HA CA HA CA HA CA HA 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 H1 H1 S CT H1 H1 H1 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 HC CT HC HC HC CT 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 HC CT HC HC C O2 O2 C O N H CT H1 H1 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 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 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 C OH HO 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 C O2 O2 C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 H1 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 CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 CT H1 CT HC HC HC OH HO 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 H1 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 H1 C O N H CT H1 CT HC HC CC NB CR H5 NA H CW H4 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 CT HC HC HC 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 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 CT H1 H1 CT HC HC CT HC HC CT H1 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 C O N H H C O N H CT H1 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 H1 H1 OH HO 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 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 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 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 HC C O N 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 O N H H C O N H CT H1 H1 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 H1 CT HC HC HC OH HO 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 HC 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 HC CT HC HC CT HP HP N3 H H H 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 CA HA CA HA CA HA C O N H CT H1 CT HC HC C O N H H 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 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 HC HC C O2 O2 C O N H CT H1 CT HC HC HC 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 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 H1 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 CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H 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 HC CT HC HC CT HP HP N3 H H H 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 CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 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 C O2 O2 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 C O2 O2 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 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 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 HC HC C O N H CT H1 CT HC HC HC 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 C O N 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 CT HC 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 C O N 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 H1 C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 H1 C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC HC 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 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 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 H1 H1 N2 H CA N2 H H N2 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 CT HC 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 CT HC HC C O N 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 CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB 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 HC 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 HC C O N H CT H1 CT HC HC C O N H H 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 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 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 HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB 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 O N H H C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT H1 CT HC HC HC OH HO C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC C O N H H 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 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 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 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 H1 CT HC HC HC OH HO 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 HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT H1 CT HC HC HC OH HO 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 C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 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 CT HC HC CT HC HC CT HP HP N3 H H H C O2 O2 ca ca ca c3 ca ca ca c3 ha ha hc hc hc ha ha hc hc hc %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 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 B B E B E B E S E S 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 S 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 3 E 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 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 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 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 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 3 E E E S E M E M E M E 3 E E 3 E 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 S 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 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 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 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 E 3 E 3 E 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 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 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 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 E B E E M E M E M 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 S 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 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 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 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 B 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 B E B E E M E M E M 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 3 E 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 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 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 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 E S 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 3 E E B E B 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 E M E M E M E 3 E E B E E M E M E M E 3 E E 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 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 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 3 E E 3 E E B E B B E 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 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 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 3 E E 3 E E B E E M 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 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 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 E 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 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 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E E M E M E M E 3 E E 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 E B 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 3 E 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 B E B 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 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 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 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 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 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 B E B B E E B 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 3 E 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 3 E E B 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 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 B B E B E S B E B E B E S 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 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 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 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 E 3 E E B E B B E E B E E M E M E M E 3 E E B B 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