HEADER PROTEIN 26-AUG-20 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 26-AUG-20 0 HETATM 1 H UNK 0 8.231 -2.462 0.000 0.00 0.00 H+0 HETATM 2 O UNK 0 9.703 -2.008 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 10.046 -0.507 0.000 0.00 0.00 C+0 HETATM 4 H UNK 0 11.228 -1.494 0.000 0.00 0.00 H+0 HETATM 5 C UNK 0 11.462 0.098 0.000 0.00 0.00 C+0 HETATM 6 H UNK 0 12.878 -0.507 0.000 0.00 0.00 H+0 HETATM 7 H UNK 0 12.910 0.621 0.000 0.00 0.00 H+0 HETATM 8 C UNK 0 11.324 1.632 0.000 0.00 0.00 C+0 HETATM 9 H UNK 0 12.753 1.058 0.000 0.00 0.00 H+0 HETATM 10 C UNK 0 12.484 2.645 0.000 0.00 0.00 C+0 HETATM 11 H UNK 0 11.027 3.143 0.000 0.00 0.00 H+0 HETATM 12 C UNK 0 13.941 2.146 0.000 0.00 0.00 C+0 HETATM 13 H UNK 0 14.644 0.776 0.000 0.00 0.00 H+0 HETATM 14 H UNK 0 15.449 2.462 0.000 0.00 0.00 H+0 HETATM 15 H UNK 0 14.036 3.684 0.000 0.00 0.00 H+0 HETATM 16 C UNK 0 12.187 4.156 0.000 0.00 0.00 C+0 HETATM 17 H UNK 0 13.719 4.000 0.000 0.00 0.00 H+0 HETATM 18 H UNK 0 12.782 5.576 0.000 0.00 0.00 H+0 HETATM 19 H UNK 0 11.002 5.139 0.000 0.00 0.00 H+0 HETATM 20 C UNK 0 9.823 1.975 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 10.747 3.207 0.000 0.00 0.00 C+0 HETATM 22 H UNK 0 11.297 4.645 0.000 0.00 0.00 H+0 HETATM 23 H UNK 0 10.355 4.696 0.000 0.00 0.00 H+0 HETATM 24 H UNK 0 9.560 4.187 0.000 0.00 0.00 H+0 HETATM 25 C UNK 0 9.073 3.320 0.000 0.00 0.00 C+0 HETATM 26 H UNK 0 8.283 1.998 0.000 0.00 0.00 H+0 HETATM 27 H UNK 0 8.305 4.655 0.000 0.00 0.00 H+0 HETATM 28 C UNK 0 7.534 3.343 0.000 0.00 0.00 C+0 HETATM 29 H UNK 0 7.282 4.863 0.000 0.00 0.00 H+0 HETATM 30 H UNK 0 6.367 4.348 0.000 0.00 0.00 H+0 HETATM 31 C UNK 0 6.743 2.022 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 5.994 3.367 0.000 0.00 0.00 C+0 HETATM 33 H UNK 0 5.882 4.903 0.000 0.00 0.00 H+0 HETATM 34 H UNK 0 7.268 4.232 0.000 0.00 0.00 H+0 HETATM 35 H UNK 0 4.672 4.157 0.000 0.00 0.00 H+0 HETATM 36 C UNK 0 5.204 2.045 0.000 0.00 0.00 C+0 HETATM 37 H UNK 0 5.953 0.700 0.000 0.00 0.00 H+0 HETATM 38 C UNK 0 4.413 0.723 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 5.163 -0.622 0.000 0.00 0.00 C+0 HETATM 40 H UNK 0 5.140 -2.162 0.000 0.00 0.00 H+0 HETATM 41 C UNK 0 6.703 -0.645 0.000 0.00 0.00 C+0 HETATM 42 H UNK 0 6.154 -2.084 0.000 0.00 0.00 H+0 HETATM 43 H UNK 0 7.207 -2.100 0.000 0.00 0.00 H+0 HETATM 44 C UNK 0 7.493 0.676 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 8.243 -0.669 0.000 0.00 0.00 C+0 HETATM 46 H UNK 0 8.857 -2.081 0.000 0.00 0.00 H+0 HETATM 47 H UNK 0 9.376 -1.712 0.000 0.00 0.00 H+0 HETATM 48 H UNK 0 9.701 -1.164 0.000 0.00 0.00 H+0 HETATM 49 C UNK 0 9.033 0.653 0.000 0.00 0.00 C+0 HETATM 50 H UNK 0 10.567 0.791 0.000 0.00 0.00 H+0 HETATM 51 C UNK 0 2.874 0.747 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 3.623 -0.599 0.000 0.00 0.00 C+0 HETATM 53 H UNK 0 2.518 -1.671 0.000 0.00 0.00 H+0 HETATM 54 H UNK 0 3.600 -2.138 0.000 0.00 0.00 H+0 HETATM 55 H UNK 0 4.695 -1.704 0.000 0.00 0.00 H+0 HETATM 56 C UNK 0 2.083 -0.575 0.000 0.00 0.00 C+0 HETATM 57 H UNK 0 1.334 0.770 0.000 0.00 0.00 H+0 HETATM 58 H UNK 0 1.208 -1.843 0.000 0.00 0.00 H+0 HETATM 59 C UNK 0 0.543 -0.552 0.000 0.00 0.00 C+0 HETATM 60 H UNK 0 -0.996 -0.512 0.000 0.00 0.00 H+0 HETATM 61 H UNK 0 -0.275 -1.856 0.000 0.00 0.00 H+0 HETATM 62 C UNK 0 -0.206 0.793 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 -1.746 0.817 0.000 0.00 0.00 O+0 HETATM 64 C UNK 0 0.584 2.115 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 -0.855 2.664 0.000 0.00 0.00 C+0 HETATM 66 H UNK 0 -0.306 4.103 0.000 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.294 3.213 0.000 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.404 1.225 0.000 0.00 0.00 H+0 HETATM 69 C UNK 0 0.875 3.628 0.000 0.00 0.00 C+0 HETATM 70 H UNK 0 2.118 2.719 0.000 0.00 0.00 H+0 HETATM 71 H UNK 0 2.227 4.365 0.000 0.00 0.00 H+0 HETATM 72 H UNK 0 0.785 5.165 0.000 0.00 0.00 H+0 HETATM 73 C UNK 0 2.124 2.092 0.000 0.00 0.00 C+0 HETATM 74 H UNK 0 3.664 2.068 0.000 0.00 0.00 H+0 HETATM 75 C UNK 0 2.914 3.414 0.000 0.00 0.00 C+0 HETATM 76 H UNK 0 4.070 4.431 0.000 0.00 0.00 H+0 HETATM 77 H UNK 0 3.085 4.944 0.000 0.00 0.00 H+0 HETATM 78 C UNK 0 4.454 3.390 0.000 0.00 0.00 C+0 HETATM 79 H UNK 0 5.776 2.600 0.000 0.00 0.00 H+0 HETATM 80 O UNK 0 5.244 4.712 0.000 0.00 0.00 O+0 HETATM 81 H UNK 0 4.844 6.199 0.000 0.00 0.00 H+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 5 49 CONECT 4 3 CONECT 5 3 6 7 8 CONECT 6 5 CONECT 7 5 CONECT 8 5 9 10 20 CONECT 9 8 CONECT 10 8 11 12 16 CONECT 11 10 CONECT 12 10 13 14 15 CONECT 13 12 CONECT 14 12 CONECT 15 12 CONECT 16 10 17 18 19 CONECT 17 16 CONECT 18 16 CONECT 19 16 CONECT 20 8 21 25 49 CONECT 21 20 22 23 24 CONECT 22 21 CONECT 23 21 CONECT 24 21 CONECT 25 20 26 27 28 CONECT 26 25 CONECT 27 25 CONECT 28 25 29 30 31 CONECT 29 28 CONECT 30 28 CONECT 31 28 32 36 44 CONECT 32 31 33 34 35 CONECT 33 32 CONECT 34 32 CONECT 35 32 CONECT 36 31 37 38 78 CONECT 37 36 CONECT 38 36 39 51 CONECT 39 38 40 41 CONECT 40 39 CONECT 41 39 42 43 44 CONECT 42 41 CONECT 43 41 CONECT 44 41 31 45 49 CONECT 45 44 46 47 48 CONECT 46 45 CONECT 47 45 CONECT 48 45 CONECT 49 44 3 20 50 CONECT 50 49 CONECT 51 38 52 56 73 CONECT 52 51 53 54 55 CONECT 53 52 CONECT 54 52 CONECT 55 52 CONECT 56 51 57 58 59 CONECT 57 56 CONECT 58 56 CONECT 59 56 60 61 62 CONECT 60 59 CONECT 61 59 CONECT 62 59 63 64 CONECT 63 62 CONECT 64 62 65 69 73 CONECT 65 64 66 67 68 CONECT 66 65 CONECT 67 65 CONECT 68 65 CONECT 69 64 70 71 72 CONECT 70 69 CONECT 71 69 CONECT 72 69 CONECT 73 64 51 74 75 CONECT 74 73 CONECT 75 73 76 77 78 CONECT 76 75 CONECT 77 75 CONECT 78 75 36 79 80 CONECT 79 78 CONECT 80 78 81 CONECT 81 80 MASTER 0 0 0 0 0 0 0 0 81 0 170 0 END