D0R7UI AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -5.077 -2.640 0.000 1.00 0.00 C HETATM 2 C UNL 1 -5.789 -3.051 0.000 1.00 0.00 C HETATM 3 C UNL 1 -6.501 -2.640 0.000 1.00 0.00 C HETATM 4 C UNL 1 -7.213 -3.051 0.000 1.00 0.00 C HETATM 5 C UNL 1 -7.925 -2.640 0.000 1.00 0.00 C HETATM 6 C UNL 1 -8.637 -3.051 0.000 1.00 0.00 C HETATM 7 C UNL 1 -9.349 -2.640 0.000 1.00 0.00 C HETATM 8 C UNL 1 -10.061 -3.051 0.000 1.00 0.00 C HETATM 9 O UNL 1 -5.077 -1.818 0.000 1.00 0.00 O HETATM 10 C ACE A 0 -4.365 -3.051 0.000 1.00 0.00 C HETATM 11 CB UNL 1 -2.941 -3.873 0.000 1.00 0.00 C HETATM 12 CA UNL 1 -2.941 -3.051 0.000 1.00 0.00 C HETATM 13 C UNL 1 -2.229 -2.640 0.000 1.00 0.00 C HETATM 14 N UNL 1 -3.653 -2.640 0.000 1.00 0.00 N HETATM 15 O UNL 1 -2.229 -1.818 0.000 1.00 0.00 O HETATM 16 CG UNL 1 -3.653 -4.284 0.000 1.00 0.00 C HETATM 17 CD UNL 1 -3.653 -5.106 0.000 1.00 0.00 C HETATM 18 OE1 UNL 1 -2.941 -5.517 0.000 1.00 0.00 O HETATM 19 NE2 UNL 1 -4.365 -5.517 0.000 1.00 0.00 N HETATM 20 CB UNL 1 -0.805 -1.818 0.000 1.00 0.00 C HETATM 21 CA UNL 1 -0.805 -2.640 0.000 1.00 0.00 C HETATM 22 C UNL 1 -0.093 -3.051 0.000 1.00 0.00 C HETATM 23 N UNL 1 -1.517 -3.051 0.000 1.00 0.00 N HETATM 24 O UNL 1 -0.093 -3.873 0.000 1.00 0.00 O HETATM 25 OG1 UNL 1 -0.093 -1.407 0.000 1.00 0.00 O HETATM 26 CG2 UNL 1 -1.517 -1.407 0.000 1.00 0.00 C HETATM 27 HA UNL 1 -0.805 -3.462 0.000 1.00 0.00 H HETATM 28 CB UNL 1 1.331 -3.873 0.000 1.00 0.00 C HETATM 29 CA UNL 1 1.331 -3.051 0.000 1.00 0.00 C HETATM 30 C UNL 1 2.043 -2.640 0.000 1.00 0.00 C HETATM 31 N UNL 1 0.619 -2.640 0.000 1.00 0.00 N HETATM 32 O UNL 1 2.043 -1.818 0.000 1.00 0.00 O HETATM 33 CB UNL 1 3.467 -1.818 0.000 1.00 0.00 C HETATM 34 CA UNL 1 3.467 -2.640 0.000 1.00 0.00 C HETATM 35 C UNL 1 4.179 -3.051 0.000 1.00 0.00 C HETATM 36 N UNL 1 2.755 -3.051 0.000 1.00 0.00 N HETATM 37 O UNL 1 4.179 -3.873 0.000 1.00 0.00 O HETATM 38 O UNL 1 4.179 -1.407 0.000 1.00 0.00 O HETATM 39 CB UNL 1 5.603 -3.873 0.000 1.00 0.00 C HETATM 40 CA UNL 1 5.603 -3.051 0.000 1.00 0.00 C HETATM 41 C UNL 1 6.315 -2.640 0.000 1.00 0.00 C HETATM 42 N UNL 1 4.891 -2.640 0.000 1.00 0.00 N HETATM 43 O UNL 1 6.315 -1.818 0.000 1.00 0.00 O HETATM 44 CG2 UNL 1 4.891 -4.284 0.000 1.00 0.00 C HETATM 45 CG1 UNL 1 6.315 -4.284 0.000 1.00 0.00 C HETATM 46 CD1 UNL 1 6.315 -5.106 0.000 1.00 0.00 C HETATM 47 HA UNL 1 5.603 -2.229 0.000 1.00 0.00 H HETATM 48 C UNL 1 7.949 -1.912 0.000 1.00 0.00 C HETATM 49 N UNL 1 7.027 -3.051 0.000 1.00 0.00 N HETATM 50 CA UNL 1 7.778 -2.716 0.000 1.00 0.00 C HETATM 51 CB UNL 1 8.328 -3.327 0.000 1.00 0.00 C HETATM 52 CG UNL 1 7.917 -4.039 0.000 1.00 0.00 C HETATM 53 CD UNL 1 7.113 -3.868 0.000 1.00 0.00 C HETATM 54 O UNL 1 7.338 -1.362 0.000 1.00 0.00 O HETATM 55 C UNL 1 8.502 -0.211 0.000 1.00 0.00 C HETATM 56 N UNL 1 8.731 -1.658 0.000 1.00 0.00 N HETATM 57 CA UNL 1 8.985 -0.876 0.000 1.00 0.00 C HETATM 58 CB UNL 1 9.807 -0.876 0.000 1.00 0.00 C HETATM 59 CG UNL 1 10.061 -1.658 0.000 1.00 0.00 C HETATM 60 CD UNL 1 9.396 -2.141 0.000 1.00 0.00 C HETATM 61 O UNL 1 8.836 0.540 0.000 1.00 0.00 O HETATM 62 CB UNL 1 7.535 1.119 0.000 1.00 0.00 C HETATM 63 CA UNL 1 7.201 0.368 0.000 1.00 0.00 C HETATM 64 C UNL 1 6.383 0.282 0.000 1.00 0.00 C HETATM 65 N UNL 1 7.684 -0.297 0.000 1.00 0.00 N HETATM 66 O UNL 1 6.049 -0.469 0.000 1.00 0.00 O HETATM 67 CG UNL 1 8.353 1.205 0.000 1.00 0.00 C HETATM 68 CD UNL 1 8.687 1.956 0.000 1.00 0.00 C HETATM 69 OE1 UNL 1 9.505 2.042 0.000 1.00 0.00 O HETATM 70 NE2 UNL 1 8.204 2.621 0.000 1.00 0.00 N HETATM 71 CB UNL 1 4.748 0.110 0.000 1.00 0.00 C HETATM 72 CA UNL 1 5.082 0.861 0.000 1.00 0.00 C HETATM 73 C UNL 1 4.599 1.526 0.000 1.00 0.00 C HETATM 74 N UNL 1 5.900 0.947 0.000 1.00 0.00 N HETATM 75 O UNL 1 4.933 2.277 0.000 1.00 0.00 O HETATM 76 OG1 UNL 1 5.231 -0.555 0.000 1.00 0.00 O HETATM 77 CG2 UNL 1 3.930 0.024 0.000 1.00 0.00 C HETATM 78 HA UNL 1 5.417 1.612 0.000 1.00 0.00 H HETATM 79 CB UNL 1 3.632 2.857 0.000 1.00 0.00 C HETATM 80 CA UNL 1 3.298 2.106 0.000 1.00 0.00 C HETATM 81 C UNL 1 2.480 2.020 0.000 1.00 0.00 C HETATM 82 N UNL 1 3.781 1.440 0.000 1.00 0.00 N HETATM 83 O UNL 1 1.997 2.685 0.000 1.00 0.00 O HETATM 84 CG UNL 1 3.149 3.522 0.000 1.00 0.00 C HETATM 85 CD1 UNL 1 2.332 3.436 0.000 1.00 0.00 C HETATM 86 CE1 UNL 1 1.848 4.101 0.000 1.00 0.00 C HETATM 87 CZ UNL 1 2.183 4.852 0.000 1.00 0.00 C HETATM 88 CE2 UNL 1 3.000 4.938 0.000 1.00 0.00 C HETATM 89 CD2 UNL 1 3.484 4.273 0.000 1.00 0.00 C HETATM 90 OH UNL 1 1.700 5.517 0.000 1.00 0.00 O CONECT 1 10 2 9 CONECT 2 3 1 CONECT 3 4 2 CONECT 4 5 3 CONECT 5 6 4 CONECT 6 7 5 CONECT 7 8 6 CONECT 8 7 CONECT 9 1 CONECT 10 14 1 CONECT 11 16 12 CONECT 12 13 14 11 CONECT 13 15 23 12 CONECT 14 12 10 CONECT 15 13 CONECT 16 17 11 CONECT 17 18 19 16 CONECT 18 17 CONECT 19 17 CONECT 20 26 25 21 CONECT 21 27 22 23 20 CONECT 22 31 24 21 CONECT 23 21 13 CONECT 24 22 CONECT 25 20 CONECT 26 20 CONECT 27 21 CONECT 28 29 CONECT 29 31 30 28 CONECT 30 36 32 29 CONECT 31 29 22 CONECT 32 30 CONECT 33 34 38 CONECT 34 36 35 33 CONECT 35 37 42 34 CONECT 36 34 30 CONECT 37 35 CONECT 38 33 CONECT 39 45 40 44 CONECT 40 47 42 41 39 CONECT 41 43 49 40 CONECT 42 40 35 CONECT 43 41 CONECT 44 39 CONECT 45 46 39 CONECT 46 45 CONECT 47 40 CONECT 48 56 50 54 CONECT 49 53 50 41 CONECT 50 51 49 48 CONECT 51 52 50 CONECT 52 53 51 CONECT 53 52 49 CONECT 54 48 CONECT 55 57 61 65 CONECT 56 57 60 48 CONECT 57 58 56 55 CONECT 58 59 57 CONECT 59 60 58 CONECT 60 59 56 CONECT 61 55 CONECT 62 63 67 CONECT 63 65 64 62 CONECT 64 66 74 63 CONECT 65 63 55 CONECT 66 64 CONECT 67 68 62 CONECT 68 69 70 67 CONECT 69 68 CONECT 70 68 CONECT 71 77 76 72 CONECT 72 78 73 74 71 CONECT 73 82 75 72 CONECT 74 72 64 CONECT 75 73 CONECT 76 71 CONECT 77 71 CONECT 78 72 CONECT 79 84 80 CONECT 80 82 81 79 CONECT 81 83 80 CONECT 82 80 73 CONECT 83 81 CONECT 84 85 89 79 CONECT 85 86 84 CONECT 86 87 85 CONECT 87 90 88 86 CONECT 88 89 87 CONECT 89 88 84 CONECT 90 87 MASTER 0 0 0 0 0 0 0 0 90 0 90 0 END M END $$$$