HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 6.149 4.088 -0.587 0.00 0.00 C+0 HETATM 2 O UNK 0 5.265 3.092 -0.077 0.00 0.00 O+0 HETATM 3 C UNK 0 4.627 3.456 1.069 0.00 0.00 C+0 HETATM 4 O UNK 0 4.569 4.601 1.504 0.00 0.00 O+0 HETATM 5 C UNK 0 3.885 2.287 1.687 0.00 0.00 C+0 HETATM 6 C UNK 0 2.703 1.859 0.789 0.00 0.00 C+0 HETATM 7 C UNK 0 1.754 3.015 0.447 0.00 0.00 C+0 HETATM 8 C UNK 0 0.579 2.496 -0.377 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.327 1.595 0.475 0.00 0.00 C+0 HETATM 10 C UNK 0 0.466 0.468 1.182 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.035 -0.968 1.005 0.00 0.00 C+0 HETATM 12 C UNK 0 -1.548 -1.192 0.833 0.00 0.00 C+0 HETATM 13 C UNK 0 -2.374 0.086 0.653 0.00 0.00 C+0 HETATM 14 C UNK 0 -2.672 0.672 2.066 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.716 -0.070 -0.134 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.969 -0.661 0.572 0.00 0.00 C+0 HETATM 17 C UNK 0 -4.728 -2.066 1.136 0.00 0.00 C+0 HETATM 18 C UNK 0 -6.219 -0.666 -0.340 0.00 0.00 C+0 HETATM 19 C UNK 0 -6.100 -1.564 -1.560 0.00 0.00 C+0 HETATM 20 O UNK 0 -6.224 -2.784 -1.487 0.00 0.00 O+0 HETATM 21 C UNK 0 -5.848 -0.894 -2.868 0.00 0.00 C+0 HETATM 22 C UNK 0 -4.969 -1.328 -3.790 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.796 -0.586 -5.088 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.077 -2.531 -3.639 0.00 0.00 C+0 HETATM 25 C UNK 0 -3.963 1.367 -0.673 0.00 0.00 C+0 HETATM 26 C UNK 0 -2.632 2.131 -0.590 0.00 0.00 C+0 HETATM 27 C UNK 0 -1.570 1.059 -0.283 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.150 0.438 -1.652 0.00 0.00 C+0 HETATM 29 C UNK 0 1.013 0.851 2.551 0.00 0.00 C+0 HETATM 30 C UNK 0 1.987 0.660 1.417 0.00 0.00 C+0 HETATM 31 C UNK 0 2.938 -0.518 1.561 0.00 0.00 C+0 HETATM 32 C UNK 0 4.111 -0.124 2.455 0.00 0.00 C+0 HETATM 33 C UNK 0 4.854 1.113 1.934 0.00 0.00 C+0 HETATM 34 O UNK 0 5.794 1.496 2.931 0.00 0.00 O+0 HETATM 35 S UNK 0 7.373 1.165 2.677 0.00 0.00 S+0 HETATM 36 O UNK 0 7.997 1.497 3.953 0.00 0.00 O+0 HETATM 37 O UNK 0 7.385 -0.256 2.344 0.00 0.00 O+0 HETATM 38 O UNK 0 7.730 2.050 1.572 0.00 0.00 O-1 HETATM 39 H UNK 0 6.811 4.472 0.197 0.00 0.00 H+0 HETATM 40 H UNK 0 5.574 4.901 -1.038 0.00 0.00 H+0 HETATM 41 H UNK 0 6.768 3.627 -1.362 0.00 0.00 H+0 HETATM 42 H UNK 0 3.508 2.637 2.658 0.00 0.00 H+0 HETATM 43 H UNK 0 3.114 1.508 -0.170 0.00 0.00 H+0 HETATM 44 H UNK 0 2.282 3.771 -0.145 0.00 0.00 H+0 HETATM 45 H UNK 0 1.395 3.516 1.353 0.00 0.00 H+0 HETATM 46 H UNK 0 0.976 1.958 -1.244 0.00 0.00 H+0 HETATM 47 H UNK 0 0.003 3.347 -0.757 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.707 2.252 1.271 0.00 0.00 H+0 HETATM 49 H UNK 0 0.483 -1.400 0.139 0.00 0.00 H+0 HETATM 50 H UNK 0 0.280 -1.584 1.857 0.00 0.00 H+0 HETATM 51 H UNK 0 -1.907 -1.762 1.698 0.00 0.00 H+0 HETATM 52 H UNK 0 -1.696 -1.864 -0.023 0.00 0.00 H+0 HETATM 53 H UNK 0 -1.768 0.854 2.650 0.00 0.00 H+0 HETATM 54 H UNK 0 -3.228 1.613 2.022 0.00 0.00 H+0 HETATM 55 H UNK 0 -3.269 -0.023 2.667 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.522 -0.724 -0.992 0.00 0.00 H+0 HETATM 57 H UNK 0 -5.227 -0.013 1.420 0.00 0.00 H+0 HETATM 58 H UNK 0 -5.668 -2.524 1.463 0.00 0.00 H+0 HETATM 59 H UNK 0 -4.077 -2.038 2.012 0.00 0.00 H+0 HETATM 60 H UNK 0 -4.269 -2.726 0.393 0.00 0.00 H+0 HETATM 61 H UNK 0 -7.095 -1.010 0.226 0.00 0.00 H+0 HETATM 62 H UNK 0 -6.469 0.352 -0.660 0.00 0.00 H+0 HETATM 63 H UNK 0 -6.420 0.015 -3.028 0.00 0.00 H+0 HETATM 64 H UNK 0 -5.469 0.274 -5.167 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.005 -1.250 -5.934 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.770 -0.216 -5.180 0.00 0.00 H+0 HETATM 67 H UNK 0 -4.407 -3.332 -4.308 0.00 0.00 H+0 HETATM 68 H UNK 0 -4.046 -2.925 -2.620 0.00 0.00 H+0 HETATM 69 H UNK 0 -3.046 -2.268 -3.899 0.00 0.00 H+0 HETATM 70 H UNK 0 -4.315 1.332 -1.709 0.00 0.00 H+0 HETATM 71 H UNK 0 -4.722 1.899 -0.087 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.434 2.682 -1.516 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.689 2.880 0.209 0.00 0.00 H+0 HETATM 74 H UNK 0 -1.970 -0.068 -2.168 0.00 0.00 H+0 HETATM 75 H UNK 0 -0.336 -0.283 -1.559 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.807 1.216 -2.344 0.00 0.00 H+0 HETATM 77 H UNK 0 0.856 1.853 2.936 0.00 0.00 H+0 HETATM 78 H UNK 0 0.985 0.110 3.345 0.00 0.00 H+0 HETATM 79 H UNK 0 3.299 -0.820 0.571 0.00 0.00 H+0 HETATM 80 H UNK 0 2.450 -1.393 2.002 0.00 0.00 H+0 HETATM 81 H UNK 0 3.754 0.071 3.476 0.00 0.00 H+0 HETATM 82 H UNK 0 4.804 -0.968 2.544 0.00 0.00 H+0 HETATM 83 H UNK 0 5.362 0.846 0.998 0.00 0.00 H+0 CONECT 1 2 39 40 41 CONECT 2 3 1 CONECT 3 5 4 2 CONECT 4 3 CONECT 5 33 6 3 42 CONECT 6 7 5 30 43 CONECT 7 6 8 44 45 CONECT 8 7 9 46 47 CONECT 9 8 10 27 48 CONECT 10 30 9 29 11 CONECT 11 10 12 49 50 CONECT 12 13 11 51 52 CONECT 13 27 15 14 12 CONECT 14 13 53 54 55 CONECT 15 25 13 16 56 CONECT 16 15 18 17 57 CONECT 17 16 58 59 60 CONECT 18 19 16 61 62 CONECT 19 18 21 20 CONECT 20 19 CONECT 21 19 22 63 CONECT 22 23 24 21 CONECT 23 22 64 65 66 CONECT 24 22 67 68 69 CONECT 25 26 15 70 71 CONECT 26 27 25 72 73 CONECT 27 13 26 28 9 CONECT 28 27 74 75 76 CONECT 29 30 10 77 78 CONECT 30 29 10 31 6 CONECT 31 30 32 79 80 CONECT 32 33 31 81 82 CONECT 33 34 5 32 83 CONECT 34 33 35 CONECT 35 34 36 37 38 CONECT 36 35 CONECT 37 35 CONECT 38 35 CONECT 39 1 CONECT 40 1 CONECT 41 1 CONECT 42 5 CONECT 43 6 CONECT 44 7 CONECT 45 7 CONECT 46 8 CONECT 47 8 CONECT 48 9 CONECT 49 11 CONECT 50 11 CONECT 51 12 CONECT 52 12 CONECT 53 14 CONECT 54 14 CONECT 55 14 CONECT 56 15 CONECT 57 16 CONECT 58 17 CONECT 59 17 CONECT 60 17 CONECT 61 18 CONECT 62 18 CONECT 63 21 CONECT 64 23 CONECT 65 23 CONECT 66 23 CONECT 67 24 CONECT 68 24 CONECT 69 24 CONECT 70 25 CONECT 71 25 CONECT 72 26 CONECT 73 26 CONECT 74 28 CONECT 75 28 CONECT 76 28 CONECT 77 29 CONECT 78 29 CONECT 79 31 CONECT 80 31 CONECT 81 32 CONECT 82 32 CONECT 83 33 MASTER 0 0 0 0 0 0 0 0 83 0 174 0 END