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 -4.027 1.560 -1.755 0.00 0.00 C+0 HETATM 2 O UNK 0 -2.836 0.978 -1.224 0.00 0.00 O+0 HETATM 3 C UNK 0 -2.739 1.047 0.127 0.00 0.00 C+0 HETATM 4 O UNK 0 -3.531 1.595 0.877 0.00 0.00 O+0 HETATM 5 C UNK 0 -1.467 0.449 0.582 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.673 1.216 1.582 0.00 0.00 C+0 HETATM 7 O UNK 0 -0.320 0.703 2.640 0.00 0.00 O+0 HETATM 8 C UNK 0 -0.364 2.641 1.298 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.198 3.117 -0.008 0.00 0.00 C+0 HETATM 10 C UNK 0 0.091 4.468 -0.224 0.00 0.00 C+0 HETATM 11 Br UNK 0 0.290 5.065 -2.014 0.00 0.00 Br+0 HETATM 12 C UNK 0 0.229 5.342 0.858 0.00 0.00 C+0 HETATM 13 O UNK 0 0.510 6.662 0.626 0.00 0.00 O+0 HETATM 14 C UNK 0 0.084 4.857 2.161 0.00 0.00 C+0 HETATM 15 Br UNK 0 0.276 6.011 3.652 0.00 0.00 Br+0 HETATM 16 C UNK 0 -0.208 3.511 2.385 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.085 -0.798 0.227 0.00 0.00 C+0 HETATM 18 C UNK 0 0.280 -1.231 0.620 0.00 0.00 C+0 HETATM 19 O UNK 0 1.285 -0.581 0.372 0.00 0.00 O+0 HETATM 20 O UNK 0 0.217 -2.436 1.235 0.00 0.00 O+0 HETATM 21 C UNK 0 1.484 -2.919 1.681 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.914 -1.716 -0.581 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.492 -2.096 -1.864 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.273 -2.958 -2.637 0.00 0.00 C+0 HETATM 25 C UNK 0 -3.472 -3.446 -2.129 0.00 0.00 C+0 HETATM 26 O UNK 0 -4.193 -4.283 -2.932 0.00 0.00 O+0 HETATM 27 C UNK 0 -3.898 -3.082 -0.852 0.00 0.00 C+0 HETATM 28 Br UNK 0 -5.528 -3.741 -0.149 0.00 0.00 Br+0 HETATM 29 C UNK 0 -3.122 -2.220 -0.075 0.00 0.00 C+0 HETATM 30 H UNK 0 -4.019 1.419 -2.839 0.00 0.00 H+0 HETATM 31 H UNK 0 -4.053 2.634 -1.544 0.00 0.00 H+0 HETATM 32 H UNK 0 -4.912 1.062 -1.348 0.00 0.00 H+0 HETATM 33 H UNK 0 -0.269 2.448 -0.862 0.00 0.00 H+0 HETATM 34 H UNK 0 0.582 7.113 1.487 0.00 0.00 H+0 HETATM 35 H UNK 0 -0.319 3.134 3.400 0.00 0.00 H+0 HETATM 36 H UNK 0 1.323 -3.872 2.192 0.00 0.00 H+0 HETATM 37 H UNK 0 1.936 -2.218 2.390 0.00 0.00 H+0 HETATM 38 H UNK 0 2.149 -3.090 0.828 0.00 0.00 H+0 HETATM 39 H UNK 0 -0.558 -1.720 -2.278 0.00 0.00 H+0 HETATM 40 H UNK 0 -1.946 -3.248 -3.632 0.00 0.00 H+0 HETATM 41 H UNK 0 -4.989 -4.552 -2.437 0.00 0.00 H+0 HETATM 42 H UNK 0 -3.453 -1.949 0.926 0.00 0.00 H+0 CONECT 1 2 30 31 32 CONECT 2 3 1 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 6 17 3 CONECT 6 8 7 5 CONECT 7 6 CONECT 8 6 16 9 CONECT 9 8 10 33 CONECT 10 11 12 9 CONECT 11 10 CONECT 12 13 14 10 CONECT 13 12 34 CONECT 14 16 15 12 CONECT 15 14 CONECT 16 8 14 35 CONECT 17 22 18 5 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 CONECT 21 20 36 37 38 CONECT 22 17 29 23 CONECT 23 24 22 39 CONECT 24 25 23 40 CONECT 25 27 24 26 CONECT 26 25 41 CONECT 27 29 25 28 CONECT 28 27 CONECT 29 22 27 42 CONECT 30 1 CONECT 31 1 CONECT 32 1 CONECT 33 9 CONECT 34 13 CONECT 35 16 CONECT 36 21 CONECT 37 21 CONECT 38 21 CONECT 39 23 CONECT 40 24 CONECT 41 26 CONECT 42 29 MASTER 0 0 0 0 0 0 0 0 42 0 86 0 END