HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 -2.281 3.417 -0.236 0.00 0.00 C+0 HETATM 2 O UNK 0 -2.131 2.022 -0.108 0.00 0.00 O+0 HETATM 3 C UNK 0 -1.623 1.233 -1.162 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.861 1.587 -2.416 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.244 0.633 -3.320 0.00 0.00 C+0 HETATM 6 O UNK 0 -1.227 0.595 -4.578 0.00 0.00 O+0 HETATM 7 O UNK 0 -0.635 -0.292 -2.519 0.00 0.00 O+0 HETATM 8 C UNK 0 -0.829 0.015 -1.119 0.00 0.00 C+0 HETATM 9 C UNK 0 0.516 0.168 -0.588 0.00 0.00 C+0 HETATM 10 C UNK 0 1.069 1.378 -0.300 0.00 0.00 C+0 HETATM 11 C UNK 0 2.385 1.465 0.184 0.00 0.00 C+0 HETATM 12 C UNK 0 2.928 2.696 0.465 0.00 0.00 C+0 HETATM 13 Br UNK 0 1.951 4.305 0.226 0.00 0.00 Br+0 HETATM 14 C UNK 0 4.231 2.784 0.941 0.00 0.00 C+0 HETATM 15 C UNK 0 4.998 1.685 1.141 0.00 0.00 C+0 HETATM 16 C UNK 0 4.452 0.411 0.855 0.00 0.00 C+0 HETATM 17 O UNK 0 5.217 -0.684 1.053 0.00 0.00 O+0 HETATM 18 C UNK 0 3.146 0.324 0.378 0.00 0.00 C+0 HETATM 19 C UNK 0 2.575 -0.907 0.084 0.00 0.00 C+0 HETATM 20 O UNK 0 3.267 -2.067 0.253 0.00 0.00 O+0 HETATM 21 C UNK 0 1.263 -0.959 -0.396 0.00 0.00 C+0 HETATM 22 C UNK 0 0.630 -2.220 -0.729 0.00 0.00 C+0 HETATM 23 O UNK 0 1.339 -3.119 -1.272 0.00 0.00 O+0 HETATM 24 C UNK 0 -0.810 -2.406 -0.422 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.820 -3.217 0.851 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.602 -1.182 -0.501 0.00 0.00 C+0 HETATM 27 O UNK 0 -2.572 -1.416 -1.533 0.00 0.00 O+0 HETATM 28 C UNK 0 -2.439 -0.744 0.637 0.00 0.00 C+0 HETATM 29 C UNK 0 -3.263 -1.899 1.199 0.00 0.00 C+0 HETATM 30 C UNK 0 -1.754 -0.083 1.787 0.00 0.00 C+0 HETATM 31 H UNK 0 -2.974 3.642 -1.072 0.00 0.00 H+0 HETATM 32 H UNK 0 -2.671 3.787 0.734 0.00 0.00 H+0 HETATM 33 H UNK 0 -1.282 3.857 -0.366 0.00 0.00 H+0 HETATM 34 H UNK 0 -2.432 2.458 -2.764 0.00 0.00 H+0 HETATM 35 H UNK 0 0.564 2.324 -0.416 0.00 0.00 H+0 HETATM 36 H UNK 0 4.670 3.755 1.168 0.00 0.00 H+0 HETATM 37 H UNK 0 6.008 1.711 1.506 0.00 0.00 H+0 HETATM 38 H UNK 0 5.130 -1.614 0.956 0.00 0.00 H+0 HETATM 39 H UNK 0 3.049 -3.006 0.119 0.00 0.00 H+0 HETATM 40 H UNK 0 -1.140 -3.175 -1.204 0.00 0.00 H+0 HETATM 41 H UNK 0 -1.664 -3.926 0.941 0.00 0.00 H+0 HETATM 42 H UNK 0 0.052 -3.959 0.708 0.00 0.00 H+0 HETATM 43 H UNK 0 -0.521 -2.688 1.750 0.00 0.00 H+0 HETATM 44 H UNK 0 -3.024 -0.581 -1.764 0.00 0.00 H+0 HETATM 45 H UNK 0 -3.192 -0.022 0.236 0.00 0.00 H+0 HETATM 46 H UNK 0 -4.274 -1.476 1.535 0.00 0.00 H+0 HETATM 47 H UNK 0 -3.532 -2.647 0.462 0.00 0.00 H+0 HETATM 48 H UNK 0 -2.785 -2.229 2.125 0.00 0.00 H+0 HETATM 49 H UNK 0 -1.619 -0.794 2.662 0.00 0.00 H+0 HETATM 50 H UNK 0 -0.800 0.380 1.614 0.00 0.00 H+0 HETATM 51 H UNK 0 -2.441 0.677 2.217 0.00 0.00 H+0 CONECT 1 2 31 32 33 CONECT 2 1 3 CONECT 3 2 4 8 CONECT 4 3 5 34 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 CONECT 8 7 9 3 26 CONECT 9 8 10 21 CONECT 10 9 11 35 CONECT 11 10 12 18 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 36 CONECT 15 14 16 37 CONECT 16 15 17 18 CONECT 17 16 38 CONECT 18 16 19 11 CONECT 19 18 20 21 CONECT 20 19 39 CONECT 21 19 22 9 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 26 40 CONECT 25 24 41 42 43 CONECT 26 24 27 28 8 CONECT 27 26 44 CONECT 28 26 29 30 45 CONECT 29 28 46 47 48 CONECT 30 28 49 50 51 CONECT 31 1 CONECT 32 1 CONECT 33 1 CONECT 34 4 CONECT 35 10 CONECT 36 14 CONECT 37 15 CONECT 38 17 CONECT 39 20 CONECT 40 24 CONECT 41 25 CONECT 42 25 CONECT 43 25 CONECT 44 27 CONECT 45 28 CONECT 46 29 CONECT 47 29 CONECT 48 29 CONECT 49 30 CONECT 50 30 CONECT 51 30 MASTER 0 0 0 0 0 0 0 0 51 0 108 0 END