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 -3.188 1.292 1.045 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.549 2.058 2.196 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.135 3.435 2.337 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.481 4.590 2.550 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.004 4.798 2.723 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.478 5.803 1.737 0.00 0.00 C+0 HETATM 7 C UNK 0 0.181 5.570 0.589 0.00 0.00 C+0 HETATM 8 C UNK 0 0.533 4.227 -0.010 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.236 3.887 -1.318 0.00 0.00 C+0 HETATM 10 O UNK 0 -1.641 3.817 -1.107 0.00 0.00 O+0 HETATM 11 C UNK 0 -0.001 4.870 -2.419 0.00 0.00 C+0 HETATM 12 C UNK 0 0.595 4.340 -3.489 0.00 0.00 C+0 HETATM 13 Br UNK 0 1.077 5.183 -5.043 0.00 0.00 Br+0 HETATM 14 C UNK 0 0.810 2.898 -3.235 0.00 0.00 C+0 HETATM 15 O UNK 0 1.378 2.127 -3.987 0.00 0.00 O+0 HETATM 16 C UNK 0 0.223 2.571 -1.901 0.00 0.00 C+0 HETATM 17 C UNK 0 0.098 1.361 -1.331 0.00 0.00 C+0 HETATM 18 C UNK 0 0.530 0.091 -1.867 0.00 0.00 C+0 HETATM 19 C UNK 0 0.310 -1.073 -1.235 0.00 0.00 C+0 HETATM 20 C UNK 0 0.763 -2.405 -1.757 0.00 0.00 C+0 HETATM 21 O UNK 0 1.357 -3.084 -0.660 0.00 0.00 O+0 HETATM 22 C UNK 0 -0.388 -3.216 -2.375 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.416 -3.753 -1.374 0.00 0.00 C+0 HETATM 24 C UNK 0 -0.895 -4.935 -0.589 0.00 0.00 C+0 HETATM 25 O UNK 0 0.144 -5.536 -0.834 0.00 0.00 O+0 HETATM 26 O UNK 0 -1.766 -5.244 0.411 0.00 0.00 O+0 HETATM 27 C UNK 0 -1.356 -6.349 1.216 0.00 0.00 C+0 HETATM 28 H UNK 0 -3.048 1.812 0.092 0.00 0.00 H+0 HETATM 29 H UNK 0 -4.263 1.161 1.206 0.00 0.00 H+0 HETATM 30 H UNK 0 -2.738 0.298 0.958 0.00 0.00 H+0 HETATM 31 H UNK 0 -2.724 1.508 3.127 0.00 0.00 H+0 HETATM 32 H UNK 0 -1.468 2.090 2.034 0.00 0.00 H+0 HETATM 33 H UNK 0 -4.223 3.483 2.283 0.00 0.00 H+0 HETATM 34 H UNK 0 -3.087 5.491 2.652 0.00 0.00 H+0 HETATM 35 H UNK 0 -0.443 3.862 2.676 0.00 0.00 H+0 HETATM 36 H UNK 0 -0.827 5.189 3.733 0.00 0.00 H+0 HETATM 37 H UNK 0 -0.652 6.843 2.013 0.00 0.00 H+0 HETATM 38 H UNK 0 0.508 6.439 0.017 0.00 0.00 H+0 HETATM 39 H UNK 0 1.615 4.222 -0.198 0.00 0.00 H+0 HETATM 40 H UNK 0 0.349 3.437 0.725 0.00 0.00 H+0 HETATM 41 H UNK 0 -1.848 4.263 -0.267 0.00 0.00 H+0 HETATM 42 H UNK 0 -0.297 5.908 -2.350 0.00 0.00 H+0 HETATM 43 H UNK 0 -0.389 1.313 -0.358 0.00 0.00 H+0 HETATM 44 H UNK 0 1.056 0.084 -2.820 0.00 0.00 H+0 HETATM 45 H UNK 0 -0.208 -1.086 -0.279 0.00 0.00 H+0 HETATM 46 H UNK 0 1.542 -2.265 -2.516 0.00 0.00 H+0 HETATM 47 H UNK 0 1.510 -4.011 -0.932 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.906 -2.595 -3.117 0.00 0.00 H+0 HETATM 49 H UNK 0 0.043 -4.061 -2.927 0.00 0.00 H+0 HETATM 50 H UNK 0 -1.730 -2.968 -0.679 0.00 0.00 H+0 HETATM 51 H UNK 0 -2.297 -4.100 -1.926 0.00 0.00 H+0 HETATM 52 H UNK 0 -2.111 -6.502 1.992 0.00 0.00 H+0 HETATM 53 H UNK 0 -1.292 -7.260 0.612 0.00 0.00 H+0 HETATM 54 H UNK 0 -0.398 -6.137 1.702 0.00 0.00 H+0 CONECT 1 2 28 29 30 CONECT 2 3 1 31 32 CONECT 3 4 2 33 CONECT 4 5 3 34 CONECT 5 4 6 35 36 CONECT 6 5 7 37 CONECT 7 8 6 38 CONECT 8 7 9 39 40 CONECT 9 11 16 10 8 CONECT 10 9 41 CONECT 11 9 12 42 CONECT 12 14 13 11 CONECT 13 12 CONECT 14 16 15 12 CONECT 15 14 CONECT 16 9 14 17 CONECT 17 16 18 43 CONECT 18 19 17 44 CONECT 19 18 20 45 CONECT 20 19 22 21 46 CONECT 21 20 47 CONECT 22 20 23 48 49 CONECT 23 22 24 50 51 CONECT 24 23 26 25 CONECT 25 24 CONECT 26 24 27 CONECT 27 26 52 53 54 CONECT 28 1 CONECT 29 1 CONECT 30 1 CONECT 31 2 CONECT 32 2 CONECT 33 3 CONECT 34 4 CONECT 35 5 CONECT 36 5 CONECT 37 6 CONECT 38 7 CONECT 39 8 CONECT 40 8 CONECT 41 10 CONECT 42 11 CONECT 43 17 CONECT 44 18 CONECT 45 19 CONECT 46 20 CONECT 47 21 CONECT 48 22 CONECT 49 22 CONECT 50 23 CONECT 51 23 CONECT 52 27 CONECT 53 27 CONECT 54 27 MASTER 0 0 0 0 0 0 0 0 54 0 108 0 END