HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 0.009 4.591 -2.805 0.00 0.00 C+0 HETATM 2 O UNK 0 -1.198 4.109 -2.257 0.00 0.00 O+0 HETATM 3 C UNK 0 -1.206 3.693 -0.916 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.680 2.542 -0.526 0.00 0.00 C+0 HETATM 5 N UNK 0 -0.708 2.167 0.847 0.00 0.00 N+0 HETATM 6 C UNK 0 -0.872 0.883 1.366 0.00 0.00 C+0 HETATM 7 O UNK 0 -0.387 0.681 2.533 0.00 0.00 O+0 HETATM 8 C UNK 0 -1.550 -0.260 0.700 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.889 0.198 0.162 0.00 0.00 C+0 HETATM 10 C UNK 0 -3.640 -0.853 -0.518 0.00 0.00 C+0 HETATM 11 C UNK 0 -4.508 -1.635 0.184 0.00 0.00 C+0 HETATM 12 C UNK 0 -5.220 -2.627 -0.435 0.00 0.00 C+0 HETATM 13 C UNK 0 -5.057 -2.839 -1.793 0.00 0.00 C+0 HETATM 14 O UNK 0 -5.793 -3.862 -2.421 0.00 0.00 O+0 HETATM 15 C UNK 0 -4.186 -2.065 -2.532 0.00 0.00 C+0 HETATM 16 Br UNK 0 -3.969 -2.368 -4.407 0.00 0.00 Br+0 HETATM 17 C UNK 0 -3.487 -1.074 -1.866 0.00 0.00 C+0 HETATM 18 N UNK 0 -1.756 -1.346 1.633 0.00 0.00 N+0 HETATM 19 C UNK 0 -2.353 -0.990 2.924 0.00 0.00 C+0 HETATM 20 C UNK 0 -1.447 -2.700 1.430 0.00 0.00 C+0 HETATM 21 O UNK 0 -2.281 -3.555 1.904 0.00 0.00 O+0 HETATM 22 C UNK 0 -0.289 -3.278 0.742 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.235 -2.966 -0.732 0.00 0.00 C+0 HETATM 24 N UNK 0 0.919 -2.775 1.418 0.00 0.00 N+0 HETATM 25 C UNK 0 2.039 -3.586 1.732 0.00 0.00 C+0 HETATM 26 O UNK 0 2.685 -3.401 2.813 0.00 0.00 O+0 HETATM 27 C UNK 0 2.548 -4.686 0.870 0.00 0.00 C+0 HETATM 28 C UNK 0 3.984 -4.279 0.504 0.00 0.00 C+0 HETATM 29 C UNK 0 3.885 -2.814 0.112 0.00 0.00 C+0 HETATM 30 C UNK 0 5.119 -2.284 -0.478 0.00 0.00 C+0 HETATM 31 C UNK 0 5.294 -0.969 -0.541 0.00 0.00 C+0 HETATM 32 C UNK 0 6.594 -0.521 -1.164 0.00 0.00 C+0 HETATM 33 C UNK 0 4.325 0.033 -0.054 0.00 0.00 C+0 HETATM 34 C UNK 0 2.963 -0.113 -0.637 0.00 0.00 C+0 HETATM 35 C UNK 0 2.286 1.230 -0.954 0.00 0.00 C+0 HETATM 36 C UNK 0 2.341 2.159 0.217 0.00 0.00 C+0 HETATM 37 O UNK 0 1.018 0.910 -1.412 0.00 0.00 O+0 HETATM 38 C UNK 0 -0.097 1.675 -1.559 0.00 0.00 C+0 HETATM 39 O UNK 0 -0.740 1.682 -2.671 0.00 0.00 O+0 HETATM 40 C UNK 0 -1.834 4.597 0.042 0.00 0.00 C+0 HETATM 41 C UNK 0 -1.647 5.948 0.063 0.00 0.00 C+0 HETATM 42 C UNK 0 -2.319 6.731 1.012 0.00 0.00 C+0 HETATM 43 C UNK 0 -3.171 6.158 1.931 0.00 0.00 C+0 HETATM 44 C UNK 0 -3.374 4.794 1.927 0.00 0.00 C+0 HETATM 45 C UNK 0 -2.691 4.046 0.971 0.00 0.00 C+0 HETATM 46 H UNK 0 -0.119 4.885 -3.878 0.00 0.00 H+0 HETATM 47 H UNK 0 0.840 3.863 -2.796 0.00 0.00 H+0 HETATM 48 H UNK 0 0.421 5.483 -2.254 0.00 0.00 H+0 HETATM 49 H UNK 0 -0.579 2.985 1.521 0.00 0.00 H+0 HETATM 50 H UNK 0 -0.948 -0.532 -0.165 0.00 0.00 H+0 HETATM 51 H UNK 0 -2.736 1.045 -0.543 0.00 0.00 H+0 HETATM 52 H UNK 0 -3.463 0.633 1.023 0.00 0.00 H+0 HETATM 53 H UNK 0 -4.645 -1.480 1.238 0.00 0.00 H+0 HETATM 54 H UNK 0 -5.927 -3.267 0.127 0.00 0.00 H+0 HETATM 55 H UNK 0 -6.432 -4.440 -1.916 0.00 0.00 H+0 HETATM 56 H UNK 0 -2.804 -0.477 -2.487 0.00 0.00 H+0 HETATM 57 H UNK 0 -3.146 -1.731 3.143 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.599 -1.105 3.756 0.00 0.00 H+0 HETATM 59 H UNK 0 -2.689 0.046 2.964 0.00 0.00 H+0 HETATM 60 H UNK 0 -0.346 -4.382 0.835 0.00 0.00 H+0 HETATM 61 H UNK 0 0.101 -3.880 -1.262 0.00 0.00 H+0 HETATM 62 H UNK 0 -1.230 -2.723 -1.102 0.00 0.00 H+0 HETATM 63 H UNK 0 0.550 -2.210 -0.970 0.00 0.00 H+0 HETATM 64 H UNK 0 0.918 -1.764 1.667 0.00 0.00 H+0 HETATM 65 H UNK 0 2.631 -5.647 1.444 0.00 0.00 H+0 HETATM 66 H UNK 0 1.935 -4.846 -0.029 0.00 0.00 H+0 HETATM 67 H UNK 0 4.568 -4.393 1.438 0.00 0.00 H+0 HETATM 68 H UNK 0 4.370 -4.889 -0.313 0.00 0.00 H+0 HETATM 69 H UNK 0 3.091 -2.777 -0.663 0.00 0.00 H+0 HETATM 70 H UNK 0 3.668 -2.260 1.025 0.00 0.00 H+0 HETATM 71 H UNK 0 5.858 -2.985 -0.849 0.00 0.00 H+0 HETATM 72 H UNK 0 7.295 -0.329 -0.306 0.00 0.00 H+0 HETATM 73 H UNK 0 6.372 0.440 -1.685 0.00 0.00 H+0 HETATM 74 H UNK 0 6.982 -1.262 -1.859 0.00 0.00 H+0 HETATM 75 H UNK 0 4.715 1.035 -0.236 0.00 0.00 H+0 HETATM 76 H UNK 0 4.209 -0.050 1.067 0.00 0.00 H+0 HETATM 77 H UNK 0 2.232 -0.644 -0.001 0.00 0.00 H+0 HETATM 78 H UNK 0 3.085 -0.595 -1.648 0.00 0.00 H+0 HETATM 79 H UNK 0 2.946 1.683 -1.750 0.00 0.00 H+0 HETATM 80 H UNK 0 2.030 1.703 1.176 0.00 0.00 H+0 HETATM 81 H UNK 0 3.413 2.506 0.301 0.00 0.00 H+0 HETATM 82 H UNK 0 1.779 3.070 -0.054 0.00 0.00 H+0 HETATM 83 H UNK 0 -0.988 6.436 -0.641 0.00 0.00 H+0 HETATM 84 H UNK 0 -2.160 7.800 1.015 0.00 0.00 H+0 HETATM 85 H UNK 0 -3.675 6.793 2.651 0.00 0.00 H+0 HETATM 86 H UNK 0 -4.041 4.312 2.639 0.00 0.00 H+0 HETATM 87 H UNK 0 -2.908 2.967 1.020 0.00 0.00 H+0 CONECT 1 2 46 47 48 CONECT 2 1 3 CONECT 3 2 4 40 CONECT 4 3 5 38 CONECT 5 4 6 49 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 18 50 CONECT 9 8 10 51 52 CONECT 10 9 11 17 CONECT 11 10 12 53 CONECT 12 11 13 54 CONECT 13 12 14 15 CONECT 14 13 55 CONECT 15 13 16 17 CONECT 16 15 CONECT 17 15 10 56 CONECT 18 8 19 20 CONECT 19 18 57 58 59 CONECT 20 18 21 22 CONECT 21 20 CONECT 22 20 23 24 60 CONECT 23 22 61 62 63 CONECT 24 22 25 64 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 65 66 CONECT 28 27 29 67 68 CONECT 29 28 30 69 70 CONECT 30 29 31 71 CONECT 31 30 32 33 CONECT 32 31 72 73 74 CONECT 33 31 34 75 76 CONECT 34 33 35 77 78 CONECT 35 34 36 37 79 CONECT 36 35 80 81 82 CONECT 37 35 38 CONECT 38 37 39 4 CONECT 39 38 CONECT 40 3 41 45 CONECT 41 40 42 83 CONECT 42 41 43 84 CONECT 43 42 44 85 CONECT 44 43 45 86 CONECT 45 44 40 87 CONECT 46 1 CONECT 47 1 CONECT 48 1 CONECT 49 5 CONECT 50 8 CONECT 51 9 CONECT 52 9 CONECT 53 11 CONECT 54 12 CONECT 55 14 CONECT 56 17 CONECT 57 19 CONECT 58 19 CONECT 59 19 CONECT 60 22 CONECT 61 23 CONECT 62 23 CONECT 63 23 CONECT 64 24 CONECT 65 27 CONECT 66 27 CONECT 67 28 CONECT 68 28 CONECT 69 29 CONECT 70 29 CONECT 71 30 CONECT 72 32 CONECT 73 32 CONECT 74 32 CONECT 75 33 CONECT 76 33 CONECT 77 34 CONECT 78 34 CONECT 79 35 CONECT 80 36 CONECT 81 36 CONECT 82 36 CONECT 83 41 CONECT 84 42 CONECT 85 43 CONECT 86 44 CONECT 87 45 MASTER 0 0 0 0 0 0 0 0 87 0 178 0 END