HEADER PROTEIN 20-NOV-19 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-NOV-19 0 HETATM 1 O UNK 0 4.743 -0.478 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 5.436 0.906 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 6.962 1.028 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 4.560 2.188 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 4.194 3.675 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 5.680 3.267 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 7.166 3.634 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 7.594 5.120 0.000 0.00 0.00 C+0 HETATM 9 N UNK 0 3.155 1.557 0.000 0.00 0.00 N+0 HETATM 10 C UNK 0 1.914 2.473 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 2.076 4.000 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 0.509 1.842 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 0.183 0.336 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.344 0.173 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.975 1.578 0.000 0.00 0.00 C+0 HETATM 16 N UNK 0 -0.835 2.616 0.000 0.00 0.00 N+0 HETATM 17 C UNK 0 -0.997 4.143 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 0.265 5.039 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 -2.402 4.774 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -2.565 6.301 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -1.303 7.197 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -3.970 6.932 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -2.708 7.828 0.000 0.00 0.00 C+0 HETATM 24 N UNK 0 -3.644 3.858 0.000 0.00 0.00 N+0 HETATM 25 C UNK 0 -5.049 4.489 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 -5.212 6.016 0.000 0.00 0.00 O+0 HETATM 27 O UNK 0 -6.291 3.593 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 -7.695 4.204 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -8.021 5.710 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -9.548 5.873 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -10.179 4.469 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -9.039 3.451 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 -2.117 -1.150 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 -1.344 -2.494 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 0.203 -2.494 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 0.957 -3.817 0.000 0.00 0.00 C+0 HETATM 37 N UNK 0 0.203 -5.161 0.000 0.00 0.00 N+0 HETATM 38 C UNK 0 -1.344 -5.161 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -2.117 -3.817 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -3.664 -3.817 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -4.418 -5.161 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -3.664 -6.484 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -2.117 -6.484 0.000 0.00 0.00 C+0 HETATM 44 Br UNK 0 -1.344 -7.828 0.000 0.00 0.00 Br+0 HETATM 45 O UNK 0 -4.418 -7.828 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 -5.965 -7.828 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 2.504 -3.817 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 3.400 -2.575 0.000 0.00 0.00 C+0 HETATM 49 S UNK 0 4.866 -3.064 0.000 0.00 0.00 S+0 HETATM 50 C UNK 0 4.866 -4.591 0.000 0.00 0.00 C+0 HETATM 51 N UNK 0 3.400 -5.079 0.000 0.00 0.00 N+0 HETATM 52 N UNK 0 6.128 -5.507 0.000 0.00 0.00 N+0 HETATM 53 C UNK 0 7.532 -4.876 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 7.695 -3.349 0.000 0.00 0.00 O+0 HETATM 55 C UNK 0 8.774 -5.772 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 10.179 -5.161 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 8.612 -7.319 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 9 6 CONECT 5 4 6 CONECT 6 4 5 7 CONECT 7 6 8 CONECT 8 7 CONECT 9 4 10 CONECT 10 9 12 11 CONECT 11 10 CONECT 12 10 13 16 CONECT 13 12 14 CONECT 14 13 33 15 CONECT 15 14 16 CONECT 16 12 15 17 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 24 20 CONECT 20 19 21 22 23 CONECT 21 20 CONECT 22 20 CONECT 23 20 CONECT 24 19 25 CONECT 25 24 27 26 CONECT 26 25 CONECT 27 25 28 CONECT 28 27 32 29 CONECT 29 28 30 CONECT 30 29 31 CONECT 31 30 32 CONECT 32 28 31 CONECT 33 14 34 CONECT 34 33 35 39 CONECT 35 34 36 CONECT 36 35 37 47 CONECT 37 36 38 CONECT 38 37 43 39 CONECT 39 34 38 40 CONECT 40 39 41 CONECT 41 40 42 CONECT 42 41 43 45 CONECT 43 38 42 44 CONECT 44 43 CONECT 45 42 46 CONECT 46 45 CONECT 47 36 48 51 CONECT 48 47 49 CONECT 49 48 50 CONECT 50 49 51 52 CONECT 51 47 50 CONECT 52 50 53 CONECT 53 52 54 55 CONECT 54 53 CONECT 55 53 57 56 CONECT 56 55 CONECT 57 55 MASTER 0 0 0 0 0 0 0 0 57 0 124 0 END