HEADER PROTEIN 10-SEP-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 10-SEP-22 0 HETATM 1 O UNK 0 -5.206 2.467 0.000 0.00 0.00 O+0 HETATM 2 S UNK 0 -3.666 2.482 0.000 0.00 0.00 S+0 HETATM 3 O UNK 0 -3.652 0.942 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 -3.681 4.022 0.000 0.00 0.00 O+0 HETATM 5 O UNK 0 -2.126 2.497 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 -1.344 1.170 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.146 -0.163 0.000 0.00 0.00 C+0 HETATM 8 Br UNK 0 -3.685 -0.155 0.000 0.00 0.00 Br+0 HETATM 9 C UNK 0 -1.358 -1.503 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 0.203 -1.548 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 0.955 -0.173 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 0.224 1.228 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 0.946 2.674 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 1.966 3.933 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 3.371 3.250 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 4.687 4.063 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 4.689 5.627 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 3.283 6.330 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 1.967 5.506 0.000 0.00 0.00 C+0 HETATM 20 Br UNK 0 0.620 6.253 0.000 0.00 0.00 Br+0 HETATM 21 C UNK 0 6.247 6.055 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 7.835 6.076 0.000 0.00 0.00 C+0 HETATM 23 N UNK 0 9.400 5.751 0.000 0.00 0.00 N+0 HETATM 24 C UNK 0 10.839 5.048 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 11.710 6.318 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 12.016 3.959 0.000 0.00 0.00 C+0 HETATM 27 N UNK 0 13.196 4.948 0.000 0.00 0.00 N+0 HETATM 28 O UNK 0 14.643 4.420 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 12.869 2.630 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 13.582 1.218 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 15.144 1.174 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 15.931 -0.166 0.000 0.00 0.00 C+0 HETATM 33 Br UNK 0 17.471 -0.174 0.000 0.00 0.00 Br+0 HETATM 34 C UNK 0 15.129 -1.500 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 15.912 -2.826 0.000 0.00 0.00 O+0 HETATM 36 S UNK 0 17.452 -2.812 0.000 0.00 0.00 S+0 HETATM 37 O UNK 0 18.992 -2.797 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 17.466 -4.352 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 17.437 -1.272 0.000 0.00 0.00 O+0 HETATM 40 C UNK 0 13.562 -1.558 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 12.831 -0.157 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 12.839 -3.004 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 11.820 -4.262 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 11.818 -5.836 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 10.503 -6.660 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 9.096 -5.956 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 9.098 -4.392 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 10.414 -3.580 0.000 0.00 0.00 C+0 HETATM 49 Br UNK 0 10.336 -2.042 0.000 0.00 0.00 Br+0 HETATM 50 C UNK 0 7.538 -6.385 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 5.951 -6.406 0.000 0.00 0.00 C+0 HETATM 52 N UNK 0 5.804 -7.939 0.000 0.00 0.00 N+0 HETATM 53 O UNK 0 7.058 -8.833 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 4.386 -6.081 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 3.887 -7.538 0.000 0.00 0.00 O+0 HETATM 56 N UNK 0 2.946 -5.377 0.000 0.00 0.00 N+0 HETATM 57 C UNK 0 1.769 -4.289 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 0.917 -2.960 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 4 5 CONECT 3 2 CONECT 4 2 CONECT 5 2 6 CONECT 6 5 7 12 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 CONECT 10 9 11 58 CONECT 11 10 12 CONECT 12 11 6 13 CONECT 13 12 14 CONECT 14 13 15 19 CONECT 15 14 16 CONECT 16 15 17 CONECT 17 16 18 21 CONECT 18 17 19 CONECT 19 18 14 20 CONECT 20 19 CONECT 21 17 22 CONECT 22 21 23 CONECT 23 22 24 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 29 CONECT 27 26 28 CONECT 28 27 CONECT 29 26 30 CONECT 30 29 31 41 CONECT 31 30 32 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 40 CONECT 35 34 36 CONECT 36 35 37 38 39 CONECT 37 36 CONECT 38 36 CONECT 39 36 CONECT 40 34 41 42 CONECT 41 40 30 CONECT 42 40 43 CONECT 43 42 44 48 CONECT 44 43 45 CONECT 45 44 46 CONECT 46 45 47 50 CONECT 47 46 48 CONECT 48 47 43 49 CONECT 49 48 CONECT 50 46 51 CONECT 51 50 52 54 CONECT 52 51 53 CONECT 53 52 CONECT 54 51 55 56 CONECT 55 54 CONECT 56 54 57 CONECT 57 56 58 CONECT 58 57 10 MASTER 0 0 0 0 0 0 0 0 58 0 124 0 END