HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -2.627 3.381 0.805 0.00 0.00 C+0 HETATM 2 O UNK 0 -2.526 2.263 1.689 0.00 0.00 O+0 HETATM 3 C UNK 0 -1.194 1.904 1.876 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.667 0.886 1.167 0.00 0.00 C+0 HETATM 5 Br UNK 0 -1.688 -0.095 -0.081 0.00 0.00 Br+0 HETATM 6 C UNK 0 0.782 0.468 1.215 0.00 0.00 C+0 HETATM 7 C UNK 0 1.743 1.674 1.150 0.00 0.00 C+0 HETATM 8 O UNK 0 1.896 2.323 2.418 0.00 0.00 O+0 HETATM 9 C UNK 0 0.822 2.746 3.136 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.506 2.606 2.960 0.00 0.00 C+0 HETATM 11 Br UNK 0 -1.609 3.352 4.321 0.00 0.00 Br+0 HETATM 12 O UNK 0 1.333 2.611 0.119 0.00 0.00 O+0 HETATM 13 N UNK 0 2.000 2.278 -1.086 0.00 0.00 N+0 HETATM 14 C UNK 0 2.993 1.523 -0.738 0.00 0.00 C+0 HETATM 15 C UNK 0 3.970 0.947 -1.722 0.00 0.00 C+0 HETATM 16 O UNK 0 4.986 0.414 -1.304 0.00 0.00 O+0 HETATM 17 N UNK 0 3.571 1.052 -3.029 0.00 0.00 N+0 HETATM 18 C UNK 0 4.254 0.389 -4.113 0.00 0.00 C+0 HETATM 19 C UNK 0 3.977 -1.116 -4.165 0.00 0.00 C+0 HETATM 20 C UNK 0 2.504 -1.460 -4.392 0.00 0.00 C+0 HETATM 21 O UNK 0 1.753 -1.107 -3.220 0.00 0.00 O+0 HETATM 22 C UNK 0 0.429 -1.436 -3.358 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.038 -2.678 -2.907 0.00 0.00 C+0 HETATM 24 Br UNK 0 1.121 -3.947 -2.100 0.00 0.00 Br+0 HETATM 25 C UNK 0 -1.391 -3.004 -3.018 0.00 0.00 C+0 HETATM 26 C UNK 0 -2.285 -2.073 -3.553 0.00 0.00 C+0 HETATM 27 C UNK 0 -3.719 -2.405 -3.665 0.00 0.00 C+0 HETATM 28 O UNK 0 -4.150 -3.512 -3.369 0.00 0.00 O+0 HETATM 29 C UNK 0 -1.840 -0.816 -3.967 0.00 0.00 C+0 HETATM 30 C UNK 0 -0.484 -0.497 -3.857 0.00 0.00 C+0 HETATM 31 Br UNK 0 0.059 1.250 -4.369 0.00 0.00 Br+0 HETATM 32 C UNK 0 3.164 1.255 0.717 0.00 0.00 C+0 HETATM 33 O UNK 0 3.522 -0.059 1.097 0.00 0.00 O+0 HETATM 34 H UNK 0 -3.689 3.606 0.670 0.00 0.00 H+0 HETATM 35 H UNK 0 -2.200 3.150 -0.177 0.00 0.00 H+0 HETATM 36 H UNK 0 -2.142 4.268 1.225 0.00 0.00 H+0 HETATM 37 H UNK 0 0.956 -0.126 2.120 0.00 0.00 H+0 HETATM 38 H UNK 0 0.991 -0.187 0.359 0.00 0.00 H+0 HETATM 39 H UNK 0 1.214 3.267 4.007 0.00 0.00 H+0 HETATM 40 H UNK 0 2.674 1.503 -3.202 0.00 0.00 H+0 HETATM 41 H UNK 0 3.936 0.871 -5.043 0.00 0.00 H+0 HETATM 42 H UNK 0 5.330 0.556 -3.993 0.00 0.00 H+0 HETATM 43 H UNK 0 4.315 -1.581 -3.231 0.00 0.00 H+0 HETATM 44 H UNK 0 4.569 -1.547 -4.981 0.00 0.00 H+0 HETATM 45 H UNK 0 2.421 -2.537 -4.580 0.00 0.00 H+0 HETATM 46 H UNK 0 2.126 -0.926 -5.271 0.00 0.00 H+0 HETATM 47 H UNK 0 -1.758 -3.970 -2.674 0.00 0.00 H+0 HETATM 48 H UNK 0 -4.386 -1.609 -4.037 0.00 0.00 H+0 HETATM 49 H UNK 0 -2.543 -0.084 -4.358 0.00 0.00 H+0 HETATM 50 H UNK 0 3.921 1.948 1.105 0.00 0.00 H+0 HETATM 51 H UNK 0 4.384 -0.252 0.671 0.00 0.00 H+0 CONECT 1 2 34 35 36 CONECT 2 3 1 CONECT 3 2 10 4 CONECT 4 6 5 3 CONECT 5 4 CONECT 6 4 7 37 38 CONECT 7 12 32 8 6 CONECT 8 9 7 CONECT 9 10 8 39 CONECT 10 11 9 3 CONECT 11 10 CONECT 12 13 7 CONECT 13 14 12 CONECT 14 15 32 13 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 18 15 40 CONECT 18 17 19 41 42 CONECT 19 18 20 43 44 CONECT 20 21 19 45 46 CONECT 21 20 22 CONECT 22 21 30 23 CONECT 23 25 22 24 CONECT 24 23 CONECT 25 26 23 47 CONECT 26 29 25 27 CONECT 27 26 28 48 CONECT 28 27 CONECT 29 30 26 49 CONECT 30 22 29 31 CONECT 31 30 CONECT 32 14 33 7 50 CONECT 33 32 51 CONECT 34 1 CONECT 35 1 CONECT 36 1 CONECT 37 6 CONECT 38 6 CONECT 39 9 CONECT 40 17 CONECT 41 18 CONECT 42 18 CONECT 43 19 CONECT 44 19 CONECT 45 20 CONECT 46 20 CONECT 47 25 CONECT 48 27 CONECT 49 29 CONECT 50 32 CONECT 51 33 MASTER 0 0 0 0 0 0 0 0 51 0 106 0 END