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 -6.029 3.933 0.864 0.00 0.00 C+0 HETATM 2 O UNK 0 -5.428 2.678 0.978 0.00 0.00 O+0 HETATM 3 C UNK 0 -6.115 1.621 1.529 0.00 0.00 C+0 HETATM 4 O UNK 0 -7.284 1.787 1.929 0.00 0.00 O+0 HETATM 5 C UNK 0 -5.479 0.297 1.648 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.053 0.311 1.111 0.00 0.00 C+0 HETATM 7 C UNK 0 -3.398 -1.020 1.222 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.568 -1.234 -0.057 0.00 0.00 C+0 HETATM 9 S UNK 0 -1.444 0.088 -0.373 0.00 0.00 S+0 HETATM 10 C UNK 0 -0.061 0.318 0.703 0.00 0.00 C+0 HETATM 11 C UNK 0 0.964 -0.822 0.526 0.00 0.00 C+0 HETATM 12 C UNK 0 1.270 -0.841 -0.958 0.00 0.00 C+0 HETATM 13 C UNK 0 2.107 -2.049 -1.333 0.00 0.00 C+0 HETATM 14 C UNK 0 3.439 -2.091 -0.622 0.00 0.00 C+0 HETATM 15 O UNK 0 4.149 -0.936 -0.966 0.00 0.00 O+0 HETATM 16 C UNK 0 5.399 -0.907 -0.356 0.00 0.00 C+0 HETATM 17 O UNK 0 6.442 -0.864 -1.334 0.00 0.00 O+0 HETATM 18 C UNK 0 7.741 -0.773 -0.860 0.00 0.00 C+0 HETATM 19 C UNK 0 8.886 -1.184 -1.679 0.00 0.00 C+0 HETATM 20 O UNK 0 8.712 -1.629 -2.831 0.00 0.00 O+0 HETATM 21 O UNK 0 10.156 -1.079 -1.177 0.00 0.00 O+0 HETATM 22 C UNK 0 7.936 -0.303 0.357 0.00 0.00 C+0 HETATM 23 C UNK 0 6.868 0.141 1.272 0.00 0.00 C+0 HETATM 24 O UNK 0 7.267 1.294 1.903 0.00 0.00 O+0 HETATM 25 C UNK 0 5.552 0.321 0.507 0.00 0.00 C+0 HETATM 26 O UNK 0 4.503 0.333 1.425 0.00 0.00 O+0 HETATM 27 O UNK 0 1.821 0.327 -1.403 0.00 0.00 O+0 HETATM 28 C UNK 0 1.281 1.501 -1.002 0.00 0.00 C+0 HETATM 29 C UNK 0 0.391 2.043 -2.091 0.00 0.00 C+0 HETATM 30 C UNK 0 0.705 1.579 0.365 0.00 0.00 C+0 HETATM 31 O UNK 0 1.727 1.702 1.343 0.00 0.00 O+0 HETATM 32 C UNK 0 -0.215 2.716 0.562 0.00 0.00 C+0 HETATM 33 O UNK 0 -0.531 3.544 -0.322 0.00 0.00 O+0 HETATM 34 C UNK 0 -0.782 2.853 1.900 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.219 4.095 2.369 0.00 0.00 C+0 HETATM 36 O UNK 0 -1.155 5.258 1.656 0.00 0.00 O+0 HETATM 37 C UNK 0 -1.764 4.193 3.653 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.847 3.053 4.411 0.00 0.00 C+0 HETATM 39 C UNK 0 -1.409 1.830 3.929 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.867 1.700 2.667 0.00 0.00 C+0 HETATM 41 C UNK 0 -0.410 0.429 2.151 0.00 0.00 C+0 HETATM 42 O UNK 0 -0.325 -0.541 2.950 0.00 0.00 O+0 HETATM 43 C UNK 0 -1.988 -2.601 -0.049 0.00 0.00 C+0 HETATM 44 O UNK 0 -1.718 -3.131 1.048 0.00 0.00 O+0 HETATM 45 C UNK 0 -1.724 -3.347 -1.272 0.00 0.00 C+0 HETATM 46 C UNK 0 -0.889 -4.440 -1.313 0.00 0.00 C+0 HETATM 47 C UNK 0 -0.658 -5.138 -2.496 0.00 0.00 C+0 HETATM 48 C UNK 0 -1.273 -4.737 -3.657 0.00 0.00 C+0 HETATM 49 C UNK 0 -2.105 -3.647 -3.612 0.00 0.00 C+0 HETATM 50 O UNK 0 -2.739 -3.221 -4.772 0.00 0.00 O+0 HETATM 51 C UNK 0 -2.352 -2.934 -2.446 0.00 0.00 C+0 HETATM 52 C UNK 0 -3.239 -1.788 -2.412 0.00 0.00 C+0 HETATM 53 O UNK 0 -3.650 -1.316 -3.495 0.00 0.00 O+0 HETATM 54 C UNK 0 -3.647 -1.195 -1.154 0.00 0.00 C+0 HETATM 55 O UNK 0 -4.719 -1.993 -0.664 0.00 0.00 O+0 HETATM 56 C UNK 0 -4.141 0.207 -1.222 0.00 0.00 C+0 HETATM 57 C UNK 0 -3.442 0.919 -2.362 0.00 0.00 C+0 HETATM 58 O UNK 0 -3.931 0.950 -0.089 0.00 0.00 O+0 HETATM 59 H UNK 0 -6.456 4.335 1.784 0.00 0.00 H+0 HETATM 60 H UNK 0 -5.261 4.637 0.436 0.00 0.00 H+0 HETATM 61 H UNK 0 -6.852 3.930 0.099 0.00 0.00 H+0 HETATM 62 H UNK 0 -6.044 -0.510 1.186 0.00 0.00 H+0 HETATM 63 H UNK 0 -5.468 0.067 2.754 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.507 0.976 1.854 0.00 0.00 H+0 HETATM 65 H UNK 0 -4.201 -1.804 1.169 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.842 -1.205 2.131 0.00 0.00 H+0 HETATM 67 H UNK 0 1.862 -0.438 1.101 0.00 0.00 H+0 HETATM 68 H UNK 0 0.603 -1.764 0.916 0.00 0.00 H+0 HETATM 69 H UNK 0 0.294 -0.977 -1.473 0.00 0.00 H+0 HETATM 70 H UNK 0 2.271 -2.013 -2.424 0.00 0.00 H+0 HETATM 71 H UNK 0 1.582 -2.997 -1.110 0.00 0.00 H+0 HETATM 72 H UNK 0 4.005 -2.939 -1.061 0.00 0.00 H+0 HETATM 73 H UNK 0 3.356 -2.259 0.449 0.00 0.00 H+0 HETATM 74 H UNK 0 5.583 -1.791 0.272 0.00 0.00 H+0 HETATM 75 H UNK 0 10.677 -1.841 -0.760 0.00 0.00 H+0 HETATM 76 H UNK 0 8.963 -0.227 0.745 0.00 0.00 H+0 HETATM 77 H UNK 0 6.656 -0.655 2.037 0.00 0.00 H+0 HETATM 78 H UNK 0 8.256 1.258 2.009 0.00 0.00 H+0 HETATM 79 H UNK 0 5.583 1.257 -0.078 0.00 0.00 H+0 HETATM 80 H UNK 0 4.430 1.224 1.824 0.00 0.00 H+0 HETATM 81 H UNK 0 2.162 2.239 -0.983 0.00 0.00 H+0 HETATM 82 H UNK 0 0.637 1.499 -3.050 0.00 0.00 H+0 HETATM 83 H UNK 0 -0.678 1.888 -1.943 0.00 0.00 H+0 HETATM 84 H UNK 0 0.605 3.128 -2.316 0.00 0.00 H+0 HETATM 85 H UNK 0 1.905 2.634 1.562 0.00 0.00 H+0 HETATM 86 H UNK 0 -0.800 5.395 0.758 0.00 0.00 H+0 HETATM 87 H UNK 0 -2.109 5.167 4.026 0.00 0.00 H+0 HETATM 88 H UNK 0 -2.275 3.133 5.419 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.487 0.943 4.553 0.00 0.00 H+0 HETATM 90 H UNK 0 -0.396 -4.764 -0.389 0.00 0.00 H+0 HETATM 91 H UNK 0 0.019 -5.994 -2.442 0.00 0.00 H+0 HETATM 92 H UNK 0 -1.090 -5.279 -4.562 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.580 -3.717 -5.630 0.00 0.00 H+0 HETATM 94 H UNK 0 -5.167 -2.456 -1.414 0.00 0.00 H+0 HETATM 95 H UNK 0 -5.242 0.257 -1.470 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.175 1.975 -2.069 0.00 0.00 H+0 HETATM 97 H UNK 0 -2.473 0.468 -2.647 0.00 0.00 H+0 HETATM 98 H UNK 0 -4.061 0.960 -3.289 0.00 0.00 H+0 CONECT 1 2 59 60 61 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 62 63 CONECT 6 5 7 58 64 CONECT 7 6 8 65 66 CONECT 8 7 9 43 54 CONECT 9 8 10 CONECT 10 9 11 30 41 CONECT 11 10 12 67 68 CONECT 12 11 13 27 69 CONECT 13 12 14 70 71 CONECT 14 13 15 72 73 CONECT 15 14 16 CONECT 16 15 17 25 74 CONECT 17 16 18 CONECT 18 17 19 22 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 75 CONECT 22 18 23 76 CONECT 23 22 24 25 77 CONECT 24 23 78 CONECT 25 23 26 16 79 CONECT 26 25 80 CONECT 27 12 28 CONECT 28 27 29 30 81 CONECT 29 28 82 83 84 CONECT 30 28 31 32 10 CONECT 31 30 85 CONECT 32 30 33 34 CONECT 33 32 CONECT 34 32 35 40 CONECT 35 34 36 37 CONECT 36 35 86 CONECT 37 35 38 87 CONECT 38 37 39 88 CONECT 39 38 40 89 CONECT 40 39 41 34 CONECT 41 40 42 10 CONECT 42 41 CONECT 43 8 44 45 CONECT 44 43 CONECT 45 43 46 51 CONECT 46 45 47 90 CONECT 47 46 48 91 CONECT 48 47 49 92 CONECT 49 48 50 51 CONECT 50 49 93 CONECT 51 49 52 45 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 56 8 CONECT 55 54 94 CONECT 56 54 57 58 95 CONECT 57 56 96 97 98 CONECT 58 56 6 CONECT 59 1 CONECT 60 1 CONECT 61 1 CONECT 62 5 CONECT 63 5 CONECT 64 6 CONECT 65 7 CONECT 66 7 CONECT 67 11 CONECT 68 11 CONECT 69 12 CONECT 70 13 CONECT 71 13 CONECT 72 14 CONECT 73 14 CONECT 74 16 CONECT 75 21 CONECT 76 22 CONECT 77 23 CONECT 78 24 CONECT 79 25 CONECT 80 26 CONECT 81 28 CONECT 82 29 CONECT 83 29 CONECT 84 29 CONECT 85 31 CONECT 86 36 CONECT 87 37 CONECT 88 38 CONECT 89 39 CONECT 90 46 CONECT 91 47 CONECT 92 48 CONECT 93 50 CONECT 94 55 CONECT 95 56 CONECT 96 57 CONECT 97 57 CONECT 98 57 MASTER 0 0 0 0 0 0 0 0 98 0 208 0 END