HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -1.469 3.906 1.062 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.374 2.915 1.402 0.00 0.00 C+0 HETATM 3 O UNK 0 0.122 3.222 2.712 0.00 0.00 O+0 HETATM 4 C UNK 0 1.183 2.471 3.092 0.00 0.00 C+0 HETATM 5 O UNK 0 1.726 1.610 2.416 0.00 0.00 O+0 HETATM 6 N UNK 0 1.533 2.814 4.362 0.00 0.00 N+0 HETATM 7 C UNK 0 2.649 2.234 5.072 0.00 0.00 C+0 HETATM 8 C UNK 0 2.262 1.007 5.902 0.00 0.00 C+0 HETATM 9 C UNK 0 1.797 -0.210 5.095 0.00 0.00 C+0 HETATM 10 C UNK 0 2.905 -0.827 4.233 0.00 0.00 C+0 HETATM 11 C UNK 0 2.369 -1.888 3.275 0.00 0.00 C+0 HETATM 12 N UNK 0 1.556 -1.317 2.224 0.00 0.00 N+0 HETATM 13 C UNK 0 0.732 -2.092 1.448 0.00 0.00 C+0 HETATM 14 O UNK 0 0.547 -3.294 1.567 0.00 0.00 O+0 HETATM 15 C UNK 0 -0.010 -1.343 0.370 0.00 0.00 C+0 HETATM 16 N UNK 0 0.327 -0.163 -0.039 0.00 0.00 N+0 HETATM 17 O UNK 0 -0.611 0.193 -1.041 0.00 0.00 O+0 HETATM 18 C UNK 0 -1.744 -0.712 -0.954 0.00 0.00 C+0 HETATM 19 C UNK 0 -2.770 -0.021 -0.081 0.00 0.00 C+0 HETATM 20 C UNK 0 -3.813 0.662 -0.584 0.00 0.00 C+0 HETATM 21 Br UNK 0 -4.968 1.560 0.593 0.00 0.00 Br+0 HETATM 22 C UNK 0 -4.007 0.769 -2.030 0.00 0.00 C+0 HETATM 23 O UNK 0 -4.907 1.727 -2.462 0.00 0.00 O+0 HETATM 24 C UNK 0 -6.191 1.165 -2.739 0.00 0.00 C+0 HETATM 25 C UNK 0 -3.258 0.041 -2.883 0.00 0.00 C+0 HETATM 26 Br UNK 0 -3.344 0.202 -4.751 0.00 0.00 Br+0 HETATM 27 C UNK 0 -2.257 -0.985 -2.397 0.00 0.00 C+0 HETATM 28 O UNK 0 -2.893 -2.271 -2.476 0.00 0.00 O+0 HETATM 29 C UNK 0 -1.169 -1.967 -0.306 0.00 0.00 C+0 HETATM 30 H UNK 0 -2.275 3.860 1.801 0.00 0.00 H+0 HETATM 31 H UNK 0 -1.081 4.930 1.079 0.00 0.00 H+0 HETATM 32 H UNK 0 -1.885 3.702 0.071 0.00 0.00 H+0 HETATM 33 H UNK 0 0.433 2.986 0.664 0.00 0.00 H+0 HETATM 34 H UNK 0 -0.788 1.903 1.410 0.00 0.00 H+0 HETATM 35 H UNK 0 0.972 3.537 4.792 0.00 0.00 H+0 HETATM 36 H UNK 0 3.024 3.014 5.744 0.00 0.00 H+0 HETATM 37 H UNK 0 3.451 2.005 4.364 0.00 0.00 H+0 HETATM 38 H UNK 0 1.457 1.288 6.593 0.00 0.00 H+0 HETATM 39 H UNK 0 3.120 0.716 6.521 0.00 0.00 H+0 HETATM 40 H UNK 0 0.929 0.061 4.485 0.00 0.00 H+0 HETATM 41 H UNK 0 1.441 -0.974 5.798 0.00 0.00 H+0 HETATM 42 H UNK 0 3.429 -0.061 3.653 0.00 0.00 H+0 HETATM 43 H UNK 0 3.649 -1.287 4.894 0.00 0.00 H+0 HETATM 44 H UNK 0 1.785 -2.644 3.812 0.00 0.00 H+0 HETATM 45 H UNK 0 3.204 -2.402 2.787 0.00 0.00 H+0 HETATM 46 H UNK 0 1.646 -0.322 1.994 0.00 0.00 H+0 HETATM 47 H UNK 0 -2.604 -0.041 0.993 0.00 0.00 H+0 HETATM 48 H UNK 0 -6.158 0.514 -3.617 0.00 0.00 H+0 HETATM 49 H UNK 0 -6.878 1.989 -2.954 0.00 0.00 H+0 HETATM 50 H UNK 0 -6.585 0.608 -1.882 0.00 0.00 H+0 HETATM 51 H UNK 0 -1.387 -1.010 -3.066 0.00 0.00 H+0 HETATM 52 H UNK 0 -3.185 -2.385 -3.400 0.00 0.00 H+0 HETATM 53 H UNK 0 -0.780 -2.690 -1.030 0.00 0.00 H+0 HETATM 54 H UNK 0 -1.849 -2.461 0.392 0.00 0.00 H+0 CONECT 1 2 30 31 32 CONECT 2 1 3 33 34 CONECT 3 4 2 CONECT 4 5 3 6 CONECT 5 4 CONECT 6 4 7 35 CONECT 7 8 6 36 37 CONECT 8 9 7 38 39 CONECT 9 10 8 40 41 CONECT 10 11 9 42 43 CONECT 11 12 10 44 45 CONECT 12 13 11 46 CONECT 13 15 12 14 CONECT 14 13 CONECT 15 13 16 29 CONECT 16 17 15 CONECT 17 16 18 CONECT 18 27 19 29 17 CONECT 19 18 20 47 CONECT 20 19 22 21 CONECT 21 20 CONECT 22 20 23 25 CONECT 23 22 24 CONECT 24 23 48 49 50 CONECT 25 27 26 22 CONECT 26 25 CONECT 27 18 25 28 51 CONECT 28 27 52 CONECT 29 15 18 53 54 CONECT 30 1 CONECT 31 1 CONECT 32 1 CONECT 33 2 CONECT 34 2 CONECT 35 6 CONECT 36 7 CONECT 37 7 CONECT 38 8 CONECT 39 8 CONECT 40 9 CONECT 41 9 CONECT 42 10 CONECT 43 10 CONECT 44 11 CONECT 45 11 CONECT 46 12 CONECT 47 19 CONECT 48 24 CONECT 49 24 CONECT 50 24 CONECT 51 27 CONECT 52 28 CONECT 53 29 CONECT 54 29 MASTER 0 0 0 0 0 0 0 0 54 0 110 0 END