HEADER PROTEIN 31-MAR-16 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 31-MAR-16 0 HETATM 1 C UNK 0 1.905 1.082 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 1.964 -0.451 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 3.350 1.614 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 0.589 1.869 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 1.938 2.549 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 0.563 -1.211 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 4.303 0.404 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 3.363 3.491 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 -0.752 1.102 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.765 -0.431 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 0.563 -2.751 0.000 0.00 0.00 C+0 HETATM 12 N UNK 0 5.841 0.464 0.000 0.00 0.00 N+1 HETATM 13 C UNK 0 2.035 4.284 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -2.107 -1.191 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -0.779 -3.518 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 6.619 -0.944 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 6.627 1.725 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 4.963 -1.198 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 0.687 3.524 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 2.055 5.824 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 -2.114 -2.745 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -3.442 -0.425 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -2.120 0.289 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 8.158 -0.950 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 8.169 1.725 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -3.442 -3.511 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -4.770 -1.191 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 8.934 0.380 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -4.770 -2.745 0.000 0.00 0.00 C+0 HETATM 30 N UNK 0 -6.271 -0.193 0.000 0.00 0.00 N+0 HETATM 31 O UNK 0 -6.112 -3.511 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 -6.264 1.340 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -7.599 -0.967 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -6.112 -5.051 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -7.599 2.113 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -8.934 -0.200 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -7.447 -5.824 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 -4.770 -5.824 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 -8.928 1.340 0.000 0.00 0.00 C+0 HETATM 40 H UNK 0 1.938 -1.978 0.000 0.00 0.00 H+0 HETATM 41 H UNK 0 0.536 0.679 0.000 0.00 0.00 H+0 HETATM 42 H UNK 0 -0.719 -1.905 0.000 0.00 0.00 H+0 HETATM 43 H UNK 0 -2.127 -4.390 0.000 0.00 0.00 H+0 HETATM 44 C UNK 0 3.446 -0.875 0.000 0.00 0.00 C+0 HETATM 45 Br UNK 0 6.046 4.423 0.000 0.00 0.00 Br-1 CONECT 1 4 5 3 2 CONECT 2 6 40 1 44 CONECT 3 8 1 7 CONECT 4 1 9 CONECT 5 1 CONECT 6 2 10 11 41 CONECT 7 44 3 12 CONECT 8 3 13 CONECT 9 4 10 CONECT 10 6 14 9 42 CONECT 11 6 15 CONECT 12 16 17 18 7 CONECT 13 8 19 20 CONECT 14 10 21 22 23 CONECT 15 11 21 CONECT 16 12 24 CONECT 17 12 25 CONECT 18 12 CONECT 19 13 CONECT 20 13 CONECT 21 14 26 15 43 CONECT 22 14 27 CONECT 23 14 CONECT 24 16 28 CONECT 25 17 28 CONECT 26 21 29 CONECT 27 22 30 29 CONECT 28 24 25 CONECT 29 26 31 27 CONECT 30 27 32 33 CONECT 31 29 34 CONECT 32 30 35 CONECT 33 30 36 CONECT 34 31 37 38 CONECT 35 32 39 CONECT 36 33 39 CONECT 37 34 CONECT 38 34 CONECT 39 35 36 CONECT 40 2 CONECT 41 6 CONECT 42 10 CONECT 43 21 CONECT 44 2 7 MASTER 0 0 0 0 0 0 0 0 45 0 98 0 END