HEADER PROTEIN 04-MAR-20 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-MAR-20 0 HETATM 1 C UNK 0 -4.232 3.513 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.726 3.193 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 -2.250 1.728 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 -0.743 1.408 0.000 0.00 0.00 C+0 HETATM 5 O UNK 0 0.287 2.552 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 -0.268 -0.057 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.173 -1.303 0.000 0.00 0.00 C+0 HETATM 8 N UNK 0 -0.268 -2.549 0.000 0.00 0.00 N+0 HETATM 9 C UNK 0 1.197 -2.073 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 1.197 -0.533 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 2.530 0.237 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 3.864 -0.533 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 3.864 -2.073 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 2.530 -2.843 0.000 0.00 0.00 C+0 HETATM 15 Br UNK 0 5.198 -2.843 0.000 0.00 0.00 Br+0 HETATM 16 C UNK 0 2.530 1.777 0.000 0.00 0.00 C+0 HETATM 17 N UNK 0 3.864 2.547 0.000 0.00 0.00 N+0 HETATM 18 C UNK 0 5.198 1.777 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -0.743 -4.013 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -2.713 -1.303 0.000 0.00 0.00 C+0 HETATM 21 S UNK 0 -3.483 -2.636 0.000 0.00 0.00 S+0 HETATM 22 C UNK 0 -5.023 -2.636 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -5.793 -3.970 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -7.333 -3.970 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -8.103 -2.636 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -7.333 -1.303 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -5.793 -1.303 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 6.531 -2.073 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 7.865 -2.843 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 6.531 -0.533 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 9.199 -0.533 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 7.865 0.237 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 9.199 -2.073 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 5.198 0.237 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 10.532 0.237 0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 7.865 1.777 0.000 0.00 0.00 O+0 HETATM 37 O UNK 0 10.532 -2.843 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 9.199 -5.153 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 7.865 -4.383 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 6.531 -5.153 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 10 CONECT 7 6 8 20 CONECT 8 7 9 19 CONECT 9 8 10 14 CONECT 10 9 6 11 CONECT 11 10 12 16 CONECT 12 11 13 34 CONECT 13 12 14 15 CONECT 14 13 9 CONECT 15 13 CONECT 16 11 17 CONECT 17 16 18 CONECT 18 17 CONECT 19 8 CONECT 20 7 21 CONECT 21 20 22 CONECT 22 21 23 27 CONECT 23 22 24 CONECT 24 23 25 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 22 CONECT 28 29 30 CONECT 29 28 39 33 CONECT 30 28 34 32 CONECT 31 35 32 33 CONECT 32 30 31 36 CONECT 33 31 29 37 CONECT 34 30 12 CONECT 35 31 CONECT 36 32 CONECT 37 33 CONECT 38 39 CONECT 39 29 38 40 CONECT 40 39 MASTER 0 0 0 0 0 0 0 0 40 0 86 0 END