HEADER PROTEIN 14-MAR-24 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 14-MAR-24 0 HETATM 1 Br UNK 0 -12.396 0.884 0.000 0.00 0.00 Br+0 HETATM 2 C UNK 0 -11.252 -0.146 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -9.787 0.330 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -8.643 -0.701 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -7.178 -0.225 0.000 0.00 0.00 C+0 HETATM 6 N UNK 0 -6.702 1.240 0.000 0.00 0.00 N+0 HETATM 7 C UNK 0 -5.162 1.240 0.000 0.00 0.00 C+0 HETATM 8 H UNK 0 -3.641 0.999 0.000 0.00 0.00 H+0 HETATM 9 C UNK 0 -4.686 -0.225 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 -5.932 -1.130 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 -4.257 2.485 0.000 0.00 0.00 C+0 HETATM 12 N UNK 0 -2.725 2.324 0.000 0.00 0.00 N+0 HETATM 13 C UNK 0 -1.820 3.570 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -2.447 4.977 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.541 6.223 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -2.168 7.630 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.263 8.876 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 0.269 8.715 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 0.895 7.308 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.010 6.062 0.000 0.00 0.00 C+0 HETATM 21 Br UNK 0 1.174 9.961 0.000 0.00 0.00 Br+0 HETATM 22 C UNK 0 -0.289 3.409 0.000 0.00 0.00 C+0 HETATM 23 N UNK 0 0.617 4.655 0.000 0.00 0.00 N+0 HETATM 24 C UNK 0 2.148 4.494 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 2.774 3.087 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 3.053 5.740 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 2.427 7.147 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 4.585 5.579 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 6.116 5.418 0.000 0.00 0.00 C+0 HETATM 30 N UNK 0 7.147 6.563 0.000 0.00 0.00 N+0 HETATM 31 C UNK 0 8.554 5.936 0.000 0.00 0.00 C+0 HETATM 32 H UNK 0 9.845 5.098 0.000 0.00 0.00 H+0 HETATM 33 C UNK 0 8.393 4.405 0.000 0.00 0.00 C+0 HETATM 34 S UNK 0 6.886 4.085 0.000 0.00 0.00 S+0 HETATM 35 C UNK 0 9.887 6.706 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 10.657 8.040 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 9.478 9.030 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 11.427 6.706 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 11.837 9.030 0.000 0.00 0.00 C+0 HETATM 40 N UNK 0 11.730 10.566 0.000 0.00 0.00 N+0 HETATM 41 C UNK 0 13.158 11.143 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 12.435 12.503 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 10.896 12.556 0.000 0.00 0.00 O+0 HETATM 44 H UNK 0 10.173 13.916 0.000 0.00 0.00 H+0 HETATM 45 O UNK 0 13.251 13.809 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 14.147 9.963 0.000 0.00 0.00 C+0 HETATM 47 S UNK 0 13.331 8.657 0.000 0.00 0.00 S+0 HETATM 48 C UNK 0 14.434 12.004 0.000 0.00 0.00 C+0 HETATM 49 N UNK 0 4.424 4.048 0.000 0.00 0.00 N+0 HETATM 50 C UNK 0 4.746 7.111 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 0.338 2.003 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 -4.883 3.892 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 -8.963 -2.207 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 -10.427 -2.683 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 -11.572 -1.653 0.000 0.00 0.00 C+0 HETATM 56 O UNK 0 -9.467 1.836 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 55 CONECT 3 2 4 56 CONECT 4 3 5 53 CONECT 5 4 6 10 CONECT 6 5 7 CONECT 7 6 8 9 11 CONECT 8 7 CONECT 9 7 10 CONECT 10 9 5 CONECT 11 7 12 52 CONECT 12 11 13 CONECT 13 12 14 22 CONECT 14 13 15 CONECT 15 14 16 20 CONECT 16 15 17 CONECT 17 16 18 CONECT 18 17 19 21 CONECT 19 18 20 CONECT 20 19 15 CONECT 21 18 CONECT 22 13 23 51 CONECT 23 22 24 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 28 CONECT 27 26 CONECT 28 26 29 49 50 CONECT 29 28 30 34 CONECT 30 29 31 CONECT 31 30 32 33 35 CONECT 32 31 CONECT 33 31 34 CONECT 34 33 29 CONECT 35 31 36 38 CONECT 36 35 37 38 39 CONECT 37 36 CONECT 38 36 35 CONECT 39 36 40 47 CONECT 40 39 41 CONECT 41 40 42 46 48 CONECT 42 41 43 45 CONECT 43 42 44 CONECT 44 43 CONECT 45 42 CONECT 46 41 47 CONECT 47 46 39 CONECT 48 41 CONECT 49 28 CONECT 50 28 CONECT 51 22 CONECT 52 11 CONECT 53 4 54 CONECT 54 53 55 CONECT 55 54 2 CONECT 56 3 MASTER 0 0 0 0 0 0 0 0 56 0 122 0 END