HEADER PROTEIN 06-SEP-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 06-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 C UNK 0 -1.358 -1.503 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 0.203 -1.548 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 0.955 -0.173 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 0.224 1.228 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 0.946 2.674 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 1.966 3.933 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 3.371 3.250 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 4.687 4.063 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 4.689 5.627 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 3.283 6.330 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 1.967 5.506 0.000 0.00 0.00 C+0 HETATM 19 Br UNK 0 0.620 6.253 0.000 0.00 0.00 Br+0 HETATM 20 C UNK 0 6.247 6.055 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 7.835 6.076 0.000 0.00 0.00 C+0 HETATM 22 N UNK 0 9.400 5.751 0.000 0.00 0.00 N+0 HETATM 23 C UNK 0 10.839 5.048 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 11.710 6.318 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 12.016 3.959 0.000 0.00 0.00 C+0 HETATM 26 N UNK 0 13.196 4.948 0.000 0.00 0.00 N+0 HETATM 27 O UNK 0 14.643 4.420 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 12.869 2.630 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 13.582 1.218 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 15.144 1.174 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 15.931 -0.166 0.000 0.00 0.00 C+0 HETATM 32 Br UNK 0 17.471 -0.174 0.000 0.00 0.00 Br+0 HETATM 33 C UNK 0 15.129 -1.500 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 15.912 -2.826 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 13.562 -1.558 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 12.831 -0.157 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 12.839 -3.004 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 11.820 -4.262 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 11.818 -5.836 0.000 0.00 0.00 C+0 HETATM 40 Br UNK 0 13.165 -6.583 0.000 0.00 0.00 Br+0 HETATM 41 C UNK 0 10.503 -6.660 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 9.096 -5.956 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 9.098 -4.392 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 10.414 -3.580 0.000 0.00 0.00 C+0 HETATM 45 Br UNK 0 10.336 -2.042 0.000 0.00 0.00 Br+0 HETATM 46 C UNK 0 7.538 -6.385 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 5.951 -6.406 0.000 0.00 0.00 C+0 HETATM 48 N UNK 0 5.804 -7.939 0.000 0.00 0.00 N+0 HETATM 49 O UNK 0 7.058 -8.833 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 4.386 -6.081 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 3.887 -7.538 0.000 0.00 0.00 O+0 HETATM 52 N UNK 0 2.946 -5.377 0.000 0.00 0.00 N+0 HETATM 53 C UNK 0 1.769 -4.289 0.000 0.00 0.00 C+0 HETATM 54 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 11 CONECT 7 6 8 CONECT 8 7 9 CONECT 9 8 10 54 CONECT 10 9 11 CONECT 11 10 6 12 CONECT 12 11 13 CONECT 13 12 14 18 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 17 20 CONECT 17 16 18 CONECT 18 17 13 19 CONECT 19 18 CONECT 20 16 21 CONECT 21 20 22 CONECT 22 21 23 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 28 CONECT 26 25 27 CONECT 27 26 CONECT 28 25 29 CONECT 29 28 30 36 CONECT 30 29 31 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 35 CONECT 34 33 CONECT 35 33 36 37 CONECT 36 35 29 CONECT 37 35 38 CONECT 38 37 39 44 CONECT 39 38 40 41 CONECT 40 39 CONECT 41 39 42 CONECT 42 41 43 46 CONECT 43 42 44 CONECT 44 43 38 45 CONECT 45 44 CONECT 46 42 47 CONECT 47 46 48 50 CONECT 48 47 49 CONECT 49 48 CONECT 50 47 51 52 CONECT 51 50 CONECT 52 50 53 CONECT 53 52 54 CONECT 54 53 9 MASTER 0 0 0 0 0 0 0 0 54 0 116 0 END