HEADER PROTEIN 05-MAR-20 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 05-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 -4.246 -1.505 0.000 0.00 0.00 O+0 HETATM 29 O UNK 0 -2.871 -3.838 0.000 0.00 0.00 O+0 HETATM 30 O UNK 0 6.531 -2.073 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 7.865 -2.843 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 6.531 -0.533 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 9.199 -0.533 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 7.865 0.237 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 9.199 -2.073 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 5.198 0.237 0.000 0.00 0.00 O+0 HETATM 37 O UNK 0 10.532 0.237 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 7.865 1.777 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 10.532 -2.843 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 9.199 -5.153 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 7.865 -4.383 0.000 0.00 0.00 C+0 HETATM 42 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 36 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 28 29 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 21 CONECT 29 21 CONECT 30 31 32 CONECT 31 30 41 35 CONECT 32 30 36 34 CONECT 33 37 34 35 CONECT 34 32 33 38 CONECT 35 33 31 39 CONECT 36 32 12 CONECT 37 33 CONECT 38 34 CONECT 39 35 CONECT 40 41 CONECT 41 31 40 42 CONECT 42 41 MASTER 0 0 0 0 0 0 0 0 42 0 90 0 END