HEADER PROTEIN 21-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 21-JUN-21 0 HETATM 1 O UNK 0 -4.903 -4.139 -1.187 0.00 0.00 O+0 HETATM 2 C UNK 0 -3.881 -4.406 -1.795 0.00 0.00 C+0 HETATM 3 O UNK 0 -3.479 -5.686 -1.926 0.00 0.00 O+0 HETATM 4 C UNK 0 -2.951 -3.453 -2.483 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.326 -2.005 -2.209 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.550 -1.509 -2.959 0.00 0.00 C+0 HETATM 7 C UNK 0 -4.345 -0.014 -2.901 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.833 0.128 -3.021 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.297 1.171 -2.142 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.837 1.977 -1.380 0.00 0.00 C+0 HETATM 11 C UNK 0 -1.266 2.857 -0.423 0.00 0.00 C+0 HETATM 12 C UNK 0 0.013 2.715 -0.050 0.00 0.00 C+0 HETATM 13 C UNK 0 0.679 3.530 1.021 0.00 0.00 C+0 HETATM 14 C UNK 0 0.863 2.740 2.323 0.00 0.00 C+0 HETATM 15 C UNK 0 1.802 1.537 2.180 0.00 0.00 C+0 HETATM 16 C UNK 0 1.856 0.716 3.470 0.00 0.00 C+0 HETATM 17 C UNK 0 2.809 -0.483 3.391 0.00 0.00 C+0 HETATM 18 C UNK 0 2.507 -1.502 2.285 0.00 0.00 C+0 HETATM 19 C UNK 0 1.138 -2.110 2.388 0.00 0.00 C+0 HETATM 20 C UNK 0 0.208 -2.013 1.430 0.00 0.00 C+0 HETATM 21 Br UNK 0 -1.481 -2.772 1.543 0.00 0.00 Br+0 HETATM 22 O UNK 0 -2.260 -1.144 -2.654 0.00 0.00 O+0 HETATM 23 H UNK 0 -4.151 -6.202 -1.432 0.00 0.00 H+0 HETATM 24 H UNK 0 -1.935 -3.637 -2.116 0.00 0.00 H+0 HETATM 25 H UNK 0 -2.955 -3.657 -3.560 0.00 0.00 H+0 HETATM 26 H UNK 0 -3.449 -1.837 -1.131 0.00 0.00 H+0 HETATM 27 H UNK 0 -5.494 -1.827 -2.510 0.00 0.00 H+0 HETATM 28 H UNK 0 -4.531 -1.841 -4.004 0.00 0.00 H+0 HETATM 29 H UNK 0 -4.714 0.372 -1.942 0.00 0.00 H+0 HETATM 30 H UNK 0 -4.879 0.521 -3.693 0.00 0.00 H+0 HETATM 31 H UNK 0 -2.545 0.320 -4.061 0.00 0.00 H+0 HETATM 32 H UNK 0 -1.906 3.606 0.032 0.00 0.00 H+0 HETATM 33 H UNK 0 0.622 1.948 -0.526 0.00 0.00 H+0 HETATM 34 H UNK 0 1.651 3.879 0.651 0.00 0.00 H+0 HETATM 35 H UNK 0 0.087 4.428 1.236 0.00 0.00 H+0 HETATM 36 H UNK 0 1.263 3.416 3.089 0.00 0.00 H+0 HETATM 37 H UNK 0 -0.118 2.402 2.682 0.00 0.00 H+0 HETATM 38 H UNK 0 1.458 0.898 1.362 0.00 0.00 H+0 HETATM 39 H UNK 0 2.808 1.886 1.918 0.00 0.00 H+0 HETATM 40 H UNK 0 0.848 0.371 3.730 0.00 0.00 H+0 HETATM 41 H UNK 0 2.184 1.362 4.294 0.00 0.00 H+0 HETATM 42 H UNK 0 2.798 -0.994 4.362 0.00 0.00 H+0 HETATM 43 H UNK 0 3.833 -0.113 3.251 0.00 0.00 H+0 HETATM 44 H UNK 0 3.242 -2.314 2.354 0.00 0.00 H+0 HETATM 45 H UNK 0 2.660 -1.043 1.302 0.00 0.00 H+0 HETATM 46 H UNK 0 0.919 -2.666 3.297 0.00 0.00 H+0 HETATM 47 H UNK 0 0.371 -1.475 0.503 0.00 0.00 H+0 CONECT 1 2 CONECT 2 4 3 1 CONECT 3 2 23 CONECT 4 5 2 24 25 CONECT 5 4 22 6 26 CONECT 6 5 7 27 28 CONECT 7 8 6 29 30 CONECT 8 9 7 22 31 CONECT 9 8 10 CONECT 10 9 11 CONECT 11 10 12 32 CONECT 12 11 13 33 CONECT 13 12 14 34 35 CONECT 14 15 13 36 37 CONECT 15 14 16 38 39 CONECT 16 15 17 40 41 CONECT 17 16 18 42 43 CONECT 18 17 19 44 45 CONECT 19 18 20 46 CONECT 20 19 21 47 CONECT 21 20 CONECT 22 8 5 CONECT 23 3 CONECT 24 4 CONECT 25 4 CONECT 26 5 CONECT 27 6 CONECT 28 6 CONECT 29 7 CONECT 30 7 CONECT 31 8 CONECT 32 11 CONECT 33 12 CONECT 34 13 CONECT 35 13 CONECT 36 14 CONECT 37 14 CONECT 38 15 CONECT 39 15 CONECT 40 16 CONECT 41 16 CONECT 42 17 CONECT 43 17 CONECT 44 18 CONECT 45 18 CONECT 46 19 CONECT 47 20 MASTER 0 0 0 0 0 0 0 0 47 0 94 0 END