HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 2.720 3.749 -0.288 0.00 0.00 C+0 HETATM 2 C UNK 0 1.622 2.670 -0.497 0.00 0.00 C+0 HETATM 3 N UNK 0 2.009 2.069 -1.775 0.00 0.00 N+0 HETATM 4 C UNK 0 2.763 0.887 -1.919 0.00 0.00 C+0 HETATM 5 O UNK 0 3.598 0.888 -2.864 0.00 0.00 O+0 HETATM 6 C UNK 0 2.682 -0.337 -1.094 0.00 0.00 C+0 HETATM 7 C UNK 0 3.854 -0.477 -0.121 0.00 0.00 C+0 HETATM 8 O UNK 0 3.753 0.305 0.994 0.00 0.00 O+0 HETATM 9 C UNK 0 5.158 -0.388 -0.834 0.00 0.00 C+0 HETATM 10 O UNK 0 5.563 0.912 -1.129 0.00 0.00 O+0 HETATM 11 C UNK 0 5.099 -1.254 -2.037 0.00 0.00 C+0 HETATM 12 N UNK 0 4.016 -1.770 -2.510 0.00 0.00 N+0 HETATM 13 N UNK 0 2.757 -1.540 -1.895 0.00 0.00 N+0 HETATM 14 C UNK 0 1.710 -2.460 -2.092 0.00 0.00 C+0 HETATM 15 O UNK 0 1.889 -3.420 -2.936 0.00 0.00 O+0 HETATM 16 C UNK 0 0.418 -2.350 -1.357 0.00 0.00 C+0 HETATM 17 O UNK 0 0.627 -2.314 0.002 0.00 0.00 O+0 HETATM 18 C UNK 0 -0.113 -2.087 1.089 0.00 0.00 C+0 HETATM 19 O UNK 0 0.091 -1.077 1.824 0.00 0.00 O+0 HETATM 20 C UNK 0 -1.201 -2.955 1.534 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.671 -3.459 2.927 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.386 -4.228 0.768 0.00 0.00 C+0 HETATM 23 O UNK 0 -0.132 -4.840 0.517 0.00 0.00 O+0 HETATM 24 N UNK 0 -2.462 -2.348 1.796 0.00 0.00 N+0 HETATM 25 C UNK 0 -3.047 -1.146 1.356 0.00 0.00 C+0 HETATM 26 O UNK 0 -3.309 -0.308 2.297 0.00 0.00 O+0 HETATM 27 C UNK 0 -3.410 -0.695 0.025 0.00 0.00 C+0 HETATM 28 C UNK 0 -3.482 -1.886 -0.959 0.00 0.00 C+0 HETATM 29 C UNK 0 -4.224 -1.406 -2.188 0.00 0.00 C+0 HETATM 30 C UNK 0 -3.235 -0.366 -2.755 0.00 0.00 C+0 HETATM 31 N UNK 0 -3.285 0.721 -1.865 0.00 0.00 N+0 HETATM 32 N UNK 0 -2.733 0.436 -0.546 0.00 0.00 N+0 HETATM 33 C UNK 0 -1.689 1.262 -0.087 0.00 0.00 C+0 HETATM 34 O UNK 0 -0.585 0.932 -0.685 0.00 0.00 O+0 HETATM 35 C UNK 0 -1.535 2.344 0.836 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.791 2.119 2.138 0.00 0.00 C+0 HETATM 37 C UNK 0 -0.574 3.428 2.857 0.00 0.00 C+0 HETATM 38 Br UNK 0 -1.147 3.318 4.708 0.00 0.00 Br+0 HETATM 39 C UNK 0 -1.200 4.623 2.250 0.00 0.00 C+0 HETATM 40 N UNK 0 -1.182 4.729 0.810 0.00 0.00 N+0 HETATM 41 N UNK 0 -0.731 3.467 0.293 0.00 0.00 N+0 HETATM 42 C UNK 0 0.340 3.400 -0.585 0.00 0.00 C+0 HETATM 43 O UNK 0 0.202 4.095 -1.663 0.00 0.00 O+0 HETATM 44 H UNK 0 2.692 4.053 0.775 0.00 0.00 H+0 HETATM 45 H UNK 0 2.451 4.636 -0.899 0.00 0.00 H+0 HETATM 46 H UNK 0 3.691 3.391 -0.622 0.00 0.00 H+0 HETATM 47 H UNK 0 1.697 1.930 0.292 0.00 0.00 H+0 HETATM 48 H UNK 0 1.660 2.618 -2.623 0.00 0.00 H+0 HETATM 49 H UNK 0 1.784 -0.339 -0.430 0.00 0.00 H+0 HETATM 50 H UNK 0 3.782 -1.546 0.248 0.00 0.00 H+0 HETATM 51 H UNK 0 4.008 -0.172 1.840 0.00 0.00 H+0 HETATM 52 H UNK 0 5.969 -0.777 -0.144 0.00 0.00 H+0 HETATM 53 H UNK 0 5.638 1.389 -0.273 0.00 0.00 H+0 HETATM 54 H UNK 0 6.033 -1.479 -2.570 0.00 0.00 H+0 HETATM 55 H UNK 0 -0.191 -1.492 -1.776 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.198 -3.239 -1.689 0.00 0.00 H+0 HETATM 57 H UNK 0 0.378 -3.787 2.754 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.314 -4.284 3.272 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.643 -2.610 3.612 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.906 -4.976 1.440 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.994 -4.174 -0.132 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.242 -5.801 0.317 0.00 0.00 H+0 HETATM 63 H UNK 0 -3.053 -2.969 2.479 0.00 0.00 H+0 HETATM 64 H UNK 0 -4.511 -0.365 0.020 0.00 0.00 H+0 HETATM 65 H UNK 0 -4.020 -2.679 -0.445 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.465 -2.150 -1.311 0.00 0.00 H+0 HETATM 67 H UNK 0 -4.319 -2.264 -2.875 0.00 0.00 H+0 HETATM 68 H UNK 0 -5.189 -0.951 -1.948 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.243 -0.822 -2.782 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.579 -0.015 -3.742 0.00 0.00 H+0 HETATM 71 H UNK 0 -4.297 0.941 -1.637 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.514 2.780 1.225 0.00 0.00 H+0 HETATM 73 H UNK 0 0.150 1.559 2.016 0.00 0.00 H+0 HETATM 74 H UNK 0 -1.446 1.528 2.793 0.00 0.00 H+0 HETATM 75 H UNK 0 0.525 3.574 2.908 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.714 5.546 2.631 0.00 0.00 H+0 HETATM 77 H UNK 0 -2.275 4.724 2.539 0.00 0.00 H+0 HETATM 78 H UNK 0 -2.092 4.979 0.391 0.00 0.00 H+0 CONECT 1 2 44 45 46 CONECT 2 1 3 42 47 CONECT 3 2 4 48 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 13 49 CONECT 7 6 8 9 50 CONECT 8 7 51 CONECT 9 7 10 11 52 CONECT 10 9 53 CONECT 11 9 12 54 CONECT 12 11 13 CONECT 13 12 14 6 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 55 56 CONECT 17 16 18 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 22 24 CONECT 21 20 57 58 59 CONECT 22 20 23 60 61 CONECT 23 22 62 CONECT 24 20 25 63 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 32 64 CONECT 28 27 29 65 66 CONECT 29 28 30 67 68 CONECT 30 29 31 69 70 CONECT 31 30 32 71 CONECT 32 31 33 27 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 41 72 CONECT 36 35 37 73 74 CONECT 37 36 38 39 75 CONECT 38 37 CONECT 39 37 40 76 77 CONECT 40 39 41 78 CONECT 41 40 42 35 CONECT 42 41 43 2 CONECT 43 42 CONECT 44 1 CONECT 45 1 CONECT 46 1 CONECT 47 2 CONECT 48 3 CONECT 49 6 CONECT 50 7 CONECT 51 8 CONECT 52 9 CONECT 53 10 CONECT 54 11 CONECT 55 16 CONECT 56 16 CONECT 57 21 CONECT 58 21 CONECT 59 21 CONECT 60 22 CONECT 61 22 CONECT 62 23 CONECT 63 24 CONECT 64 27 CONECT 65 28 CONECT 66 28 CONECT 67 29 CONECT 68 29 CONECT 69 30 CONECT 70 30 CONECT 71 31 CONECT 72 35 CONECT 73 36 CONECT 74 36 CONECT 75 37 CONECT 76 39 CONECT 77 39 CONECT 78 40 MASTER 0 0 0 0 0 0 0 0 78 0 162 0 END