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 -6.670 -2.168 -2.335 0.00 0.00 C+0 HETATM 2 O UNK 0 -6.027 -2.569 -1.119 0.00 0.00 O+0 HETATM 3 C UNK 0 -5.739 -1.479 -0.233 0.00 0.00 C+0 HETATM 4 C UNK 0 -6.718 -0.791 0.264 0.00 0.00 C+0 HETATM 5 C UNK 0 -6.570 0.315 1.151 0.00 0.00 C+0 HETATM 6 O UNK 0 -5.500 0.790 1.572 0.00 0.00 O+0 HETATM 7 N UNK 0 -7.774 0.964 1.619 0.00 0.00 N+0 HETATM 8 C UNK 0 -7.825 2.075 2.493 0.00 0.00 C+0 HETATM 9 O UNK 0 -6.843 2.676 3.006 0.00 0.00 O+0 HETATM 10 C UNK 0 -9.206 2.447 2.731 0.00 0.00 C+0 HETATM 11 C UNK 0 -9.949 1.617 2.047 0.00 0.00 C+0 HETATM 12 C UNK 0 -9.152 0.628 1.301 0.00 0.00 C+0 HETATM 13 C UNK 0 -9.509 -0.780 1.783 0.00 0.00 C+0 HETATM 14 C UNK 0 -4.334 -1.204 0.066 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.562 -0.748 -1.165 0.00 0.00 C+0 HETATM 16 N UNK 0 -2.200 -0.503 -0.771 0.00 0.00 N+0 HETATM 17 C UNK 0 -1.218 -0.065 -1.693 0.00 0.00 C+0 HETATM 18 O UNK 0 -1.563 0.112 -2.887 0.00 0.00 O+0 HETATM 19 C UNK 0 0.176 0.185 -1.285 0.00 0.00 C+0 HETATM 20 C UNK 0 1.031 0.646 -2.446 0.00 0.00 C+0 HETATM 21 C UNK 0 2.423 0.899 -2.055 0.00 0.00 C+0 HETATM 22 C UNK 0 2.890 0.746 -0.837 0.00 0.00 C+0 HETATM 23 C UNK 0 4.309 1.020 -0.511 0.00 0.00 C+0 HETATM 24 C UNK 0 4.442 2.156 0.479 0.00 0.00 C+0 HETATM 25 C UNK 0 4.944 -0.265 0.027 0.00 0.00 C+0 HETATM 26 C UNK 0 6.398 0.044 0.353 0.00 0.00 C+0 HETATM 27 C UNK 0 7.107 -1.123 0.879 0.00 0.00 C+0 HETATM 28 C UNK 0 6.476 -2.317 1.020 0.00 0.00 C+0 HETATM 29 Cl UNK 0 7.336 -3.705 1.651 0.00 0.00 Cl+0 HETATM 30 C UNK 0 8.482 -1.062 1.356 0.00 0.00 C+0 HETATM 31 C UNK 0 9.508 -1.047 0.290 0.00 0.00 C+0 HETATM 32 C UNK 0 9.510 0.046 -0.700 0.00 0.00 C+0 HETATM 33 C UNK 0 9.623 1.388 -0.116 0.00 0.00 C+0 HETATM 34 C UNK 0 9.700 2.493 0.380 0.00 0.00 C+0 HETATM 35 Br UNK 0 9.844 4.199 1.161 0.00 0.00 Br+0 HETATM 36 H UNK 0 -6.871 -3.025 -2.979 0.00 0.00 H+0 HETATM 37 H UNK 0 -7.645 -1.723 -2.046 0.00 0.00 H+0 HETATM 38 H UNK 0 -6.058 -1.373 -2.811 0.00 0.00 H+0 HETATM 39 H UNK 0 -7.766 -1.072 -0.015 0.00 0.00 H+0 HETATM 40 H UNK 0 -9.597 3.262 3.356 0.00 0.00 H+0 HETATM 41 H UNK 0 -11.049 1.623 2.006 0.00 0.00 H+0 HETATM 42 H UNK 0 -9.300 0.742 0.215 0.00 0.00 H+0 HETATM 43 H UNK 0 -8.585 -1.196 2.233 0.00 0.00 H+0 HETATM 44 H UNK 0 -9.926 -1.401 0.968 0.00 0.00 H+0 HETATM 45 H UNK 0 -10.268 -0.691 2.615 0.00 0.00 H+0 HETATM 46 H UNK 0 -4.106 -0.635 0.963 0.00 0.00 H+0 HETATM 47 H UNK 0 -3.845 -2.232 0.301 0.00 0.00 H+0 HETATM 48 H UNK 0 -3.548 -1.578 -1.915 0.00 0.00 H+0 HETATM 49 H UNK 0 -4.041 0.109 -1.667 0.00 0.00 H+0 HETATM 50 H UNK 0 -1.919 -0.649 0.215 0.00 0.00 H+0 HETATM 51 H UNK 0 0.592 -0.735 -0.828 0.00 0.00 H+0 HETATM 52 H UNK 0 0.248 0.979 -0.508 0.00 0.00 H+0 HETATM 53 H UNK 0 1.046 -0.117 -3.264 0.00 0.00 H+0 HETATM 54 H UNK 0 0.566 1.549 -2.886 0.00 0.00 H+0 HETATM 55 H UNK 0 3.108 1.234 -2.826 0.00 0.00 H+0 HETATM 56 H UNK 0 2.170 0.407 -0.084 0.00 0.00 H+0 HETATM 57 H UNK 0 4.816 1.348 -1.439 0.00 0.00 H+0 HETATM 58 H UNK 0 4.291 1.851 1.519 0.00 0.00 H+0 HETATM 59 H UNK 0 5.441 2.652 0.308 0.00 0.00 H+0 HETATM 60 H UNK 0 3.687 2.929 0.216 0.00 0.00 H+0 HETATM 61 H UNK 0 4.841 -1.023 -0.748 0.00 0.00 H+0 HETATM 62 H UNK 0 4.442 -0.513 0.983 0.00 0.00 H+0 HETATM 63 H UNK 0 6.907 0.491 -0.486 0.00 0.00 H+0 HETATM 64 H UNK 0 6.390 0.829 1.164 0.00 0.00 H+0 HETATM 65 H UNK 0 5.441 -2.366 0.730 0.00 0.00 H+0 HETATM 66 H UNK 0 8.644 -0.181 2.054 0.00 0.00 H+0 HETATM 67 H UNK 0 8.693 -1.971 2.015 0.00 0.00 H+0 HETATM 68 H UNK 0 9.506 -2.016 -0.299 0.00 0.00 H+0 HETATM 69 H UNK 0 10.547 -1.049 0.762 0.00 0.00 H+0 HETATM 70 H UNK 0 8.785 -0.012 -1.524 0.00 0.00 H+0 HETATM 71 H UNK 0 10.526 -0.065 -1.249 0.00 0.00 H+0 CONECT 1 2 36 37 38 CONECT 2 1 3 CONECT 3 2 4 14 CONECT 4 3 5 39 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 12 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 40 CONECT 11 10 12 41 CONECT 12 11 13 7 42 CONECT 13 12 43 44 45 CONECT 14 3 15 46 47 CONECT 15 14 16 48 49 CONECT 16 15 17 50 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 51 52 CONECT 20 19 21 53 54 CONECT 21 20 22 55 CONECT 22 21 23 56 CONECT 23 22 24 25 57 CONECT 24 23 58 59 60 CONECT 25 23 26 61 62 CONECT 26 25 27 63 64 CONECT 27 26 28 30 CONECT 28 27 29 65 CONECT 29 28 CONECT 30 27 31 66 67 CONECT 31 30 32 68 69 CONECT 32 31 33 70 71 CONECT 33 32 34 CONECT 34 33 35 CONECT 35 34 CONECT 36 1 CONECT 37 1 CONECT 38 1 CONECT 39 4 CONECT 40 10 CONECT 41 11 CONECT 42 12 CONECT 43 13 CONECT 44 13 CONECT 45 13 CONECT 46 14 CONECT 47 14 CONECT 48 15 CONECT 49 15 CONECT 50 16 CONECT 51 19 CONECT 52 19 CONECT 53 20 CONECT 54 20 CONECT 55 21 CONECT 56 22 CONECT 57 23 CONECT 58 24 CONECT 59 24 CONECT 60 24 CONECT 61 25 CONECT 62 25 CONECT 63 26 CONECT 64 26 CONECT 65 28 CONECT 66 30 CONECT 67 30 CONECT 68 31 CONECT 69 31 CONECT 70 32 CONECT 71 32 MASTER 0 0 0 0 0 0 0 0 71 0 142 0 END