HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 0.779 -1.341 -6.041 0.00 0.00 C+0 HETATM 2 O UNK 0 0.539 -2.556 -5.329 0.00 0.00 O+0 HETATM 3 C UNK 0 0.685 -2.380 -3.964 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.356 -2.052 -3.171 0.00 0.00 C+0 HETATM 5 Br UNK 0 -2.099 -1.848 -3.853 0.00 0.00 Br+0 HETATM 6 C UNK 0 -0.240 -1.940 -1.664 0.00 0.00 C+0 HETATM 7 O UNK 0 -0.890 -0.734 -1.232 0.00 0.00 O+0 HETATM 8 C UNK 0 1.232 -1.999 -1.119 0.00 0.00 C+0 HETATM 9 C UNK 0 2.224 -2.586 -2.088 0.00 0.00 C+0 HETATM 10 C UNK 0 1.974 -2.757 -3.396 0.00 0.00 C+0 HETATM 11 Br UNK 0 3.289 -3.526 -4.493 0.00 0.00 Br+0 HETATM 12 C UNK 0 1.775 -0.683 -0.563 0.00 0.00 C+0 HETATM 13 C UNK 0 1.358 -0.875 0.840 0.00 0.00 C+0 HETATM 14 C UNK 0 1.365 0.274 1.810 0.00 0.00 C+0 HETATM 15 O UNK 0 2.336 1.011 1.850 0.00 0.00 O+0 HETATM 16 N UNK 0 0.243 0.342 2.598 0.00 0.00 N+0 HETATM 17 C UNK 0 0.148 1.231 3.735 0.00 0.00 C+0 HETATM 18 C UNK 0 -1.293 1.640 4.013 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.780 2.714 3.036 0.00 0.00 C+0 HETATM 20 C UNK 0 -3.259 2.667 2.885 0.00 0.00 C+0 HETATM 21 N UNK 0 -4.134 3.310 3.723 0.00 0.00 N+0 HETATM 22 C UNK 0 -5.404 3.021 3.308 0.00 0.00 C+0 HETATM 23 N UNK 0 -6.466 3.512 3.944 0.00 0.00 N+0 HETATM 24 N UNK 0 -5.396 2.241 2.259 0.00 0.00 N+0 HETATM 25 C UNK 0 -4.065 2.014 1.967 0.00 0.00 C+0 HETATM 26 C UNK 0 -3.642 1.164 0.794 0.00 0.00 C+0 HETATM 27 C UNK 0 -4.569 1.371 -0.421 0.00 0.00 C+0 HETATM 28 C UNK 0 -4.038 0.746 -1.711 0.00 0.00 C+0 HETATM 29 N UNK 0 -2.705 1.205 -2.026 0.00 0.00 N+0 HETATM 30 C UNK 0 -2.437 2.390 -2.655 0.00 0.00 C+0 HETATM 31 O UNK 0 -3.238 3.140 -3.188 0.00 0.00 O+0 HETATM 32 C UNK 0 -0.979 2.770 -2.619 0.00 0.00 C+0 HETATM 33 N UNK 0 -0.220 2.514 -1.602 0.00 0.00 N+0 HETATM 34 O UNK 0 1.038 3.087 -1.898 0.00 0.00 O+0 HETATM 35 C UNK 0 1.093 3.351 -3.324 0.00 0.00 C+0 HETATM 36 C UNK 0 1.890 4.624 -3.488 0.00 0.00 C+0 HETATM 37 C UNK 0 3.223 4.610 -3.663 0.00 0.00 C+0 HETATM 38 Br UNK 0 4.155 6.218 -3.897 0.00 0.00 Br+0 HETATM 39 C UNK 0 3.950 3.342 -3.654 0.00 0.00 C+0 HETATM 40 O UNK 0 5.327 3.404 -3.541 0.00 0.00 O+0 HETATM 41 C UNK 0 5.729 3.397 -2.170 0.00 0.00 C+0 HETATM 42 C UNK 0 3.300 2.179 -3.856 0.00 0.00 C+0 HETATM 43 Br UNK 0 4.157 0.518 -3.973 0.00 0.00 Br+0 HETATM 44 C UNK 0 1.792 2.126 -4.000 0.00 0.00 C+0 HETATM 45 O UNK 0 1.468 2.048 -5.396 0.00 0.00 O+0 HETATM 46 C UNK 0 -0.368 3.524 -3.732 0.00 0.00 C+0 HETATM 47 C UNK 0 -3.496 -0.282 1.198 0.00 0.00 C+0 HETATM 48 C UNK 0 -4.457 -1.155 1.668 0.00 0.00 C+0 HETATM 49 N UNK 0 -3.796 -2.323 1.918 0.00 0.00 N+0 HETATM 50 C UNK 0 -2.480 -2.134 1.602 0.00 0.00 C+0 HETATM 51 N UNK 0 -1.585 -3.105 1.768 0.00 0.00 N+0 HETATM 52 N UNK 0 -2.264 -0.925 1.143 0.00 0.00 N+0 HETATM 53 N UNK 0 1.057 -2.085 1.195 0.00 0.00 N+0 HETATM 54 O UNK 0 1.211 -2.882 0.036 0.00 0.00 O+0 HETATM 55 H UNK 0 1.810 -1.002 -5.904 0.00 0.00 H+0 HETATM 56 H UNK 0 0.625 -1.540 -7.106 0.00 0.00 H+0 HETATM 57 H UNK 0 0.082 -0.554 -5.737 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.814 -2.776 -1.239 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.303 -0.942 -0.359 0.00 0.00 H+0 HETATM 60 H UNK 0 3.187 -2.882 -1.677 0.00 0.00 H+0 HETATM 61 H UNK 0 1.357 0.214 -1.019 0.00 0.00 H+0 HETATM 62 H UNK 0 2.869 -0.618 -0.582 0.00 0.00 H+0 HETATM 63 H UNK 0 -0.496 -0.344 2.436 0.00 0.00 H+0 HETATM 64 H UNK 0 0.540 0.672 4.592 0.00 0.00 H+0 HETATM 65 H UNK 0 0.792 2.104 3.588 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.937 0.751 3.979 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.365 2.039 5.032 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.466 3.704 3.389 0.00 0.00 H+0 HETATM 69 H UNK 0 -1.317 2.582 2.051 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.898 3.890 4.513 0.00 0.00 H+0 HETATM 71 H UNK 0 -6.438 4.127 4.746 0.00 0.00 H+0 HETATM 72 H UNK 0 -7.388 3.280 3.590 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.642 1.516 0.508 0.00 0.00 H+0 HETATM 74 H UNK 0 -4.702 2.449 -0.588 0.00 0.00 H+0 HETATM 75 H UNK 0 -5.568 0.965 -0.219 0.00 0.00 H+0 HETATM 76 H UNK 0 -4.704 0.998 -2.544 0.00 0.00 H+0 HETATM 77 H UNK 0 -4.001 -0.345 -1.627 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.912 0.655 -1.687 0.00 0.00 H+0 HETATM 79 H UNK 0 1.357 5.569 -3.440 0.00 0.00 H+0 HETATM 80 H UNK 0 5.334 4.265 -1.631 0.00 0.00 H+0 HETATM 81 H UNK 0 5.418 2.473 -1.672 0.00 0.00 H+0 HETATM 82 H UNK 0 6.822 3.448 -2.141 0.00 0.00 H+0 HETATM 83 H UNK 0 1.415 1.207 -3.533 0.00 0.00 H+0 HETATM 84 H UNK 0 2.210 1.608 -5.850 0.00 0.00 H+0 HETATM 85 H UNK 0 -0.631 3.104 -4.704 0.00 0.00 H+0 HETATM 86 H UNK 0 -0.721 4.559 -3.675 0.00 0.00 H+0 HETATM 87 H UNK 0 -5.514 -1.030 1.860 0.00 0.00 H+0 HETATM 88 H UNK 0 -4.193 -3.172 2.290 0.00 0.00 H+0 HETATM 89 H UNK 0 -0.593 -2.934 1.572 0.00 0.00 H+0 HETATM 90 H UNK 0 -1.782 -4.026 2.138 0.00 0.00 H+0 CONECT 1 2 55 56 57 CONECT 2 3 1 CONECT 3 10 4 2 CONECT 4 3 6 5 CONECT 5 4 CONECT 6 8 4 7 58 CONECT 7 6 59 CONECT 8 9 6 12 54 CONECT 9 8 10 60 CONECT 10 9 3 11 CONECT 11 10 CONECT 12 13 8 61 62 CONECT 13 14 12 53 CONECT 14 16 13 15 CONECT 15 14 CONECT 16 17 14 63 CONECT 17 18 16 64 65 CONECT 18 19 17 66 67 CONECT 19 20 18 68 69 CONECT 20 21 19 25 CONECT 21 20 22 70 CONECT 22 21 24 23 CONECT 23 22 71 72 CONECT 24 22 25 CONECT 25 24 26 20 CONECT 26 27 25 47 73 CONECT 27 28 26 74 75 CONECT 28 29 27 76 77 CONECT 29 30 28 78 CONECT 30 32 29 31 CONECT 31 30 CONECT 32 30 46 33 CONECT 33 34 32 CONECT 34 35 33 CONECT 35 36 46 34 44 CONECT 36 35 37 79 CONECT 37 38 36 39 CONECT 38 37 CONECT 39 40 37 42 CONECT 40 39 41 CONECT 41 40 80 81 82 CONECT 42 43 39 44 CONECT 43 42 CONECT 44 45 35 42 83 CONECT 45 44 84 CONECT 46 32 35 85 86 CONECT 47 26 48 52 CONECT 48 47 49 87 CONECT 49 48 50 88 CONECT 50 51 49 52 CONECT 51 50 89 90 CONECT 52 50 47 CONECT 53 54 13 CONECT 54 8 53 CONECT 55 1 CONECT 56 1 CONECT 57 1 CONECT 58 6 CONECT 59 7 CONECT 60 9 CONECT 61 12 CONECT 62 12 CONECT 63 16 CONECT 64 17 CONECT 65 17 CONECT 66 18 CONECT 67 18 CONECT 68 19 CONECT 69 19 CONECT 70 21 CONECT 71 23 CONECT 72 23 CONECT 73 26 CONECT 74 27 CONECT 75 27 CONECT 76 28 CONECT 77 28 CONECT 78 29 CONECT 79 36 CONECT 80 41 CONECT 81 41 CONECT 82 41 CONECT 83 44 CONECT 84 45 CONECT 85 46 CONECT 86 46 CONECT 87 48 CONECT 88 49 CONECT 89 51 CONECT 90 51 MASTER 0 0 0 0 0 0 0 0 90 0 190 0 END