HEADER PROTEIN 01-SEP-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-SEP-22 0 HETATM 1 C UNK 0 13.067 1.054 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 11.602 1.530 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 10.458 0.499 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 10.778 -1.007 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 8.993 0.975 0.000 0.00 0.00 C+0 HETATM 6 N UNK 0 8.673 2.481 0.000 0.00 0.00 N+0 HETATM 7 C UNK 0 9.817 3.512 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 11.282 3.036 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 9.497 5.018 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 8.032 5.494 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 10.642 6.049 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 10.321 7.555 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 8.857 8.031 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 8.537 9.537 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 9.681 10.568 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 9.361 12.074 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 11.146 10.092 0.000 0.00 0.00 C+0 HETATM 18 Br UNK 0 12.290 11.122 0.000 0.00 0.00 Br+0 HETATM 19 C UNK 0 11.466 8.586 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 7.849 -0.055 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 8.169 -1.562 0.000 0.00 0.00 O+0 HETATM 22 N UNK 0 6.384 0.421 0.000 0.00 0.00 N+0 HETATM 23 C UNK 0 5.138 -0.485 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 5.138 -2.025 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 3.804 -2.795 0.000 0.00 0.00 O+0 HETATM 26 N UNK 0 6.472 -2.795 0.000 0.00 0.00 N+0 HETATM 27 C UNK 0 6.472 -4.335 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 7.805 -5.105 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 9.139 -4.335 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 10.473 -5.105 0.000 0.00 0.00 C+0 HETATM 31 N UNK 0 11.806 -4.335 0.000 0.00 0.00 N+0 HETATM 32 C UNK 0 13.140 -5.105 0.000 0.00 0.00 C+0 HETATM 33 N UNK 0 14.474 -4.335 0.000 0.00 0.00 N+0 HETATM 34 N UNK 0 13.140 -6.645 0.000 0.00 0.00 N+0 HETATM 35 C UNK 0 3.892 0.421 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 4.368 1.885 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 3.598 3.219 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 4.368 4.552 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 5.908 4.552 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 6.678 5.886 0.000 0.00 0.00 O+0 HETATM 41 S UNK 0 5.908 7.220 0.000 0.00 0.00 S+0 HETATM 42 O UNK 0 5.138 8.554 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 7.242 7.990 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 4.574 6.450 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 6.678 3.219 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 5.908 1.885 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 20 CONECT 6 5 7 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 11 CONECT 10 9 CONECT 11 9 12 CONECT 12 11 13 19 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 19 CONECT 18 17 CONECT 19 17 12 CONECT 20 5 21 22 CONECT 21 20 CONECT 22 20 23 46 CONECT 23 22 24 35 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 CONECT 27 26 28 CONECT 28 27 29 CONECT 29 28 30 CONECT 30 29 31 CONECT 31 30 32 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 CONECT 35 23 36 CONECT 36 35 37 46 CONECT 37 36 38 CONECT 38 37 39 CONECT 39 38 40 45 CONECT 40 39 41 CONECT 41 40 42 43 44 CONECT 42 41 CONECT 43 41 CONECT 44 41 CONECT 45 39 46 CONECT 46 45 36 22 MASTER 0 0 0 0 0 0 0 0 46 0 96 0 END