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 O UNK 0 -2.590 -2.343 1.136 0.00 0.00 O+0 HETATM 2 C UNK 0 -2.373 -1.305 0.524 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.944 -0.818 0.250 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.660 0.345 -0.411 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.769 1.316 -0.725 0.00 0.00 C+0 HETATM 6 N UNK 0 -1.705 2.572 -1.020 0.00 0.00 N+1 HETATM 7 C UNK 0 -2.905 3.480 -1.205 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.193 2.728 -1.631 0.00 0.00 C+0 HETATM 9 C UNK 0 -4.268 1.391 -0.983 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.296 0.541 -0.638 0.00 0.00 C+0 HETATM 11 N UNK 0 -4.744 -0.583 -0.041 0.00 0.00 N+0 HETATM 12 C UNK 0 -3.380 -0.445 -0.015 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.082 0.750 -0.600 0.00 0.00 C+0 HETATM 14 C UNK 0 0.830 0.631 -0.720 0.00 0.00 C+0 HETATM 15 C UNK 0 1.046 1.399 -2.005 0.00 0.00 C+0 HETATM 16 C UNK 0 1.459 2.681 -2.001 0.00 0.00 C+0 HETATM 17 Br UNK 0 1.713 3.627 -3.591 0.00 0.00 Br+0 HETATM 18 C UNK 0 1.681 3.471 -0.725 0.00 0.00 C+0 HETATM 19 O UNK 0 0.466 4.205 -0.507 0.00 0.00 O+0 HETATM 20 C UNK 0 1.846 2.602 0.489 0.00 0.00 C+0 HETATM 21 C UNK 0 1.472 1.314 0.478 0.00 0.00 C+0 HETATM 22 S UNK 0 1.873 0.170 1.736 0.00 0.00 S+0 HETATM 23 C UNK 0 1.483 -1.266 0.635 0.00 0.00 C+0 HETATM 24 C UNK 0 1.661 -0.680 -0.766 0.00 0.00 C+0 HETATM 25 N UNK 0 0.084 -1.610 0.744 0.00 0.00 N+0 HETATM 26 H UNK 0 -0.809 3.075 -0.973 0.00 0.00 H+0 HETATM 27 H UNK 0 -3.046 3.982 -0.242 0.00 0.00 H+0 HETATM 28 H UNK 0 -2.627 4.227 -1.955 0.00 0.00 H+0 HETATM 29 H UNK 0 -5.072 3.336 -1.393 0.00 0.00 H+0 HETATM 30 H UNK 0 -4.179 2.584 -2.719 0.00 0.00 H+0 HETATM 31 H UNK 0 -6.371 0.619 -0.749 0.00 0.00 H+0 HETATM 32 H UNK 0 -5.260 -1.375 0.329 0.00 0.00 H+0 HETATM 33 H UNK 0 0.878 0.875 -2.945 0.00 0.00 H+0 HETATM 34 H UNK 0 2.532 4.154 -0.822 0.00 0.00 H+0 HETATM 35 H UNK 0 0.758 5.051 -0.107 0.00 0.00 H+0 HETATM 36 H UNK 0 2.342 3.031 1.356 0.00 0.00 H+0 HETATM 37 H UNK 0 2.135 -2.121 0.835 0.00 0.00 H+0 HETATM 38 H UNK 0 1.292 -1.367 -1.540 0.00 0.00 H+0 HETATM 39 H UNK 0 2.723 -0.494 -0.986 0.00 0.00 H+0 HETATM 40 H UNK 0 -0.193 -2.404 1.326 0.00 0.00 H+0 CONECT 1 2 CONECT 2 12 3 1 CONECT 3 2 4 25 CONECT 4 5 3 14 CONECT 5 13 4 6 CONECT 6 5 7 26 CONECT 7 8 6 27 28 CONECT 8 9 7 29 30 CONECT 9 8 13 10 CONECT 10 11 9 31 CONECT 11 12 10 32 CONECT 12 2 13 11 CONECT 13 5 9 12 CONECT 14 24 15 21 4 CONECT 15 14 16 33 CONECT 16 15 18 17 CONECT 17 16 CONECT 18 16 20 19 34 CONECT 19 18 35 CONECT 20 21 18 36 CONECT 21 20 14 22 CONECT 22 21 23 CONECT 23 24 25 22 37 CONECT 24 14 23 38 39 CONECT 25 23 3 40 CONECT 26 6 CONECT 27 7 CONECT 28 7 CONECT 29 8 CONECT 30 8 CONECT 31 10 CONECT 32 11 CONECT 33 15 CONECT 34 18 CONECT 35 19 CONECT 36 20 CONECT 37 23 CONECT 38 24 CONECT 39 24 CONECT 40 25 MASTER 0 0 0 0 0 0 0 0 40 0 90 0 END