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 3.165 -3.772 -3.851 0.00 0.00 C+0 HETATM 2 O UNK 0 2.528 -4.240 -2.660 0.00 0.00 O+0 HETATM 3 C UNK 0 1.403 -3.502 -2.391 0.00 0.00 C+0 HETATM 4 C UNK 0 1.478 -2.376 -1.562 0.00 0.00 C+0 HETATM 5 Br UNK 0 3.113 -1.806 -0.781 0.00 0.00 Br+0 HETATM 6 C UNK 0 0.327 -1.640 -1.267 0.00 0.00 C+0 HETATM 7 C UNK 0 -0.918 -2.041 -1.767 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.131 -1.277 -1.471 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.514 -1.007 -0.214 0.00 0.00 C+0 HETATM 10 C UNK 0 -3.715 -0.171 0.033 0.00 0.00 C+0 HETATM 11 O UNK 0 -4.404 0.278 -0.873 0.00 0.00 O+0 HETATM 12 N UNK 0 -3.914 0.070 1.364 0.00 0.00 N+0 HETATM 13 C UNK 0 -4.886 1.015 1.870 0.00 0.00 C+0 HETATM 14 C UNK 0 -4.196 2.286 2.367 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.347 2.082 3.633 0.00 0.00 C+0 HETATM 16 N UNK 0 -2.287 1.084 3.439 0.00 0.00 N+0 HETATM 17 C UNK 0 -1.358 1.077 4.571 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.383 -0.102 4.499 0.00 0.00 C+0 HETATM 19 C UNK 0 0.359 -0.353 3.178 0.00 0.00 C+0 HETATM 20 C UNK 0 1.014 0.870 2.529 0.00 0.00 C+0 HETATM 21 N UNK 0 0.038 1.619 1.729 0.00 0.00 N+0 HETATM 22 C UNK 0 0.671 2.776 1.084 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.342 3.606 0.285 0.00 0.00 C+0 HETATM 24 C UNK 0 -1.132 2.842 -0.780 0.00 0.00 C+0 HETATM 25 N UNK 0 -0.267 2.150 -1.731 0.00 0.00 N+0 HETATM 26 C UNK 0 -0.999 -3.178 -2.576 0.00 0.00 C+0 HETATM 27 C UNK 0 0.154 -3.914 -2.873 0.00 0.00 C+0 HETATM 28 Br UNK 0 -0.048 -5.488 -3.918 0.00 0.00 Br+0 HETATM 29 H UNK 0 2.511 -3.871 -4.723 0.00 0.00 H+0 HETATM 30 H UNK 0 3.495 -2.733 -3.750 0.00 0.00 H+0 HETATM 31 H UNK 0 4.050 -4.392 -4.021 0.00 0.00 H+0 HETATM 32 H UNK 0 0.401 -0.748 -0.649 0.00 0.00 H+0 HETATM 33 H UNK 0 -2.714 -0.934 -2.322 0.00 0.00 H+0 HETATM 34 H UNK 0 -1.956 -1.361 0.644 0.00 0.00 H+0 HETATM 35 H UNK 0 -3.253 -0.268 2.059 0.00 0.00 H+0 HETATM 36 H UNK 0 -5.431 0.526 2.684 0.00 0.00 H+0 HETATM 37 H UNK 0 -5.602 1.268 1.080 0.00 0.00 H+0 HETATM 38 H UNK 0 -3.568 2.705 1.570 0.00 0.00 H+0 HETATM 39 H UNK 0 -4.965 3.034 2.592 0.00 0.00 H+0 HETATM 40 H UNK 0 -2.910 3.050 3.907 0.00 0.00 H+0 HETATM 41 H UNK 0 -3.999 1.766 4.455 0.00 0.00 H+0 HETATM 42 H UNK 0 -1.720 1.381 2.628 0.00 0.00 H+0 HETATM 43 H UNK 0 -0.796 2.019 4.601 0.00 0.00 H+0 HETATM 44 H UNK 0 -1.911 1.000 5.515 0.00 0.00 H+0 HETATM 45 H UNK 0 0.364 0.037 5.291 0.00 0.00 H+0 HETATM 46 H UNK 0 -0.924 -1.023 4.756 0.00 0.00 H+0 HETATM 47 H UNK 0 1.146 -1.092 3.382 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.317 -0.841 2.465 0.00 0.00 H+0 HETATM 49 H UNK 0 1.822 0.522 1.874 0.00 0.00 H+0 HETATM 50 H UNK 0 1.460 1.507 3.301 0.00 0.00 H+0 HETATM 51 H UNK 0 -0.288 1.007 0.976 0.00 0.00 H+0 HETATM 52 H UNK 0 1.481 2.444 0.423 0.00 0.00 H+0 HETATM 53 H UNK 0 1.117 3.426 1.847 0.00 0.00 H+0 HETATM 54 H UNK 0 -1.057 4.063 0.982 0.00 0.00 H+0 HETATM 55 H UNK 0 0.196 4.435 -0.193 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.796 2.114 -0.305 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.773 3.544 -1.324 0.00 0.00 H+0 HETATM 58 H UNK 0 0.268 2.839 -2.260 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.857 1.676 -2.417 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.965 -3.502 -2.959 0.00 0.00 H+0 CONECT 1 2 29 30 31 CONECT 2 3 1 CONECT 3 2 27 4 CONECT 4 5 6 3 CONECT 5 4 CONECT 6 7 4 32 CONECT 7 8 6 26 CONECT 8 7 9 33 CONECT 9 8 10 34 CONECT 10 9 12 11 CONECT 11 10 CONECT 12 10 13 35 CONECT 13 12 14 36 37 CONECT 14 13 15 38 39 CONECT 15 16 14 40 41 CONECT 16 15 17 42 CONECT 17 16 18 43 44 CONECT 18 17 19 45 46 CONECT 19 18 20 47 48 CONECT 20 19 21 49 50 CONECT 21 20 22 51 CONECT 22 21 23 52 53 CONECT 23 22 24 54 55 CONECT 24 23 25 56 57 CONECT 25 24 58 59 CONECT 26 7 27 60 CONECT 27 28 26 3 CONECT 28 27 CONECT 29 1 CONECT 30 1 CONECT 31 1 CONECT 32 6 CONECT 33 8 CONECT 34 9 CONECT 35 12 CONECT 36 13 CONECT 37 13 CONECT 38 14 CONECT 39 14 CONECT 40 15 CONECT 41 15 CONECT 42 16 CONECT 43 17 CONECT 44 17 CONECT 45 18 CONECT 46 18 CONECT 47 19 CONECT 48 19 CONECT 49 20 CONECT 50 20 CONECT 51 21 CONECT 52 22 CONECT 53 22 CONECT 54 23 CONECT 55 23 CONECT 56 24 CONECT 57 24 CONECT 58 25 CONECT 59 25 CONECT 60 26 MASTER 0 0 0 0 0 0 0 0 60 0 120 0 END