HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 6.301 -0.985 -0.552 0.00 0.00 C+0 HETATM 2 C UNK 0 5.543 0.059 -0.384 0.00 0.00 C+0 HETATM 3 C UNK 0 4.093 0.059 -0.510 0.00 0.00 C+0 HETATM 4 C UNK 0 3.375 -1.075 -0.827 0.00 0.00 C+0 HETATM 5 C UNK 0 2.000 -1.055 -0.942 0.00 0.00 C+0 HETATM 6 C UNK 0 1.317 0.106 -0.741 0.00 0.00 C+0 HETATM 7 O UNK 0 -0.057 0.189 -0.841 0.00 0.00 O+0 HETATM 8 C UNK 0 -0.847 -0.031 0.272 0.00 0.00 C+0 HETATM 9 O UNK 0 -0.258 -0.301 1.344 0.00 0.00 O+0 HETATM 10 C UNK 0 -2.296 0.056 0.174 0.00 0.00 C+0 HETATM 11 C UNK 0 -2.951 0.352 -0.995 0.00 0.00 C+0 HETATM 12 C UNK 0 -4.327 0.424 -1.048 0.00 0.00 C+0 HETATM 13 C UNK 0 -5.107 0.202 0.075 0.00 0.00 C+0 HETATM 14 O UNK 0 -6.477 0.278 0.006 0.00 0.00 O+0 HETATM 15 C UNK 0 -4.466 -0.096 1.258 0.00 0.00 C+0 HETATM 16 N UNK 0 -5.242 -0.329 2.424 0.00 0.00 N+0 HETATM 17 O UNK 0 -6.410 0.037 2.558 0.00 0.00 O+0 HETATM 18 C UNK 0 -3.091 -0.165 1.292 0.00 0.00 C+0 HETATM 19 C UNK 0 2.001 1.248 -0.425 0.00 0.00 C+0 HETATM 20 C UNK 0 3.367 1.239 -0.308 0.00 0.00 C+0 HETATM 21 C UNK 0 6.366 -0.604 0.153 0.00 0.00 C+0 HETATM 22 C UNK 0 5.534 -0.417 -0.808 0.00 0.00 C+0 HETATM 23 C UNK 0 4.116 -0.200 -0.581 0.00 0.00 C+0 HETATM 24 C UNK 0 3.518 -0.170 0.654 0.00 0.00 C+0 HETATM 25 C UNK 0 2.156 0.039 0.850 0.00 0.00 C+0 HETATM 26 C UNK 0 1.335 0.230 -0.236 0.00 0.00 C+0 HETATM 27 O UNK 0 -0.029 0.441 -0.063 0.00 0.00 O+0 HETATM 28 C UNK 0 -0.936 -0.612 -0.035 0.00 0.00 C+0 HETATM 29 O UNK 0 -0.498 -1.758 -0.169 0.00 0.00 O+0 HETATM 30 C UNK 0 -2.335 -0.275 0.150 0.00 0.00 C+0 HETATM 31 C UNK 0 -2.790 1.018 0.297 0.00 0.00 C+0 HETATM 32 C UNK 0 -4.125 1.308 0.471 0.00 0.00 C+0 HETATM 33 C UNK 0 -5.048 0.291 0.504 0.00 0.00 C+0 HETATM 34 O UNK 0 -6.383 0.573 0.678 0.00 0.00 O+0 HETATM 35 C UNK 0 -4.623 -1.015 0.360 0.00 0.00 C+0 HETATM 36 N UNK 0 -5.552 -2.112 0.387 0.00 0.00 N+0 HETATM 37 O UNK 0 -6.646 -1.969 0.979 0.00 0.00 O+0 HETATM 38 C UNK 0 -3.262 -1.291 0.183 0.00 0.00 C+0 HETATM 39 C UNK 0 1.896 0.207 -1.494 0.00 0.00 C+0 HETATM 40 C UNK 0 3.245 -0.001 -1.665 0.00 0.00 C+0 HETATM 41 O UNK 0 6.670 1.858 -1.695 0.00 0.00 O+0 HETATM 42 N UNK 0 5.523 1.491 -1.958 0.00 0.00 N+0 HETATM 43 C UNK 0 4.724 0.702 -1.080 0.00 0.00 C+0 HETATM 44 C UNK 0 3.346 0.733 -1.111 0.00 0.00 C+0 HETATM 45 C UNK 0 2.547 -0.014 -0.280 0.00 0.00 C+0 HETATM 46 C UNK 0 1.094 0.103 -0.408 0.00 0.00 C+0 HETATM 47 O UNK 0 0.583 0.871 -1.262 0.00 0.00 O+0 HETATM 48 O UNK 0 0.227 -0.618 0.395 0.00 0.00 O+0 HETATM 49 C UNK 0 -1.149 -0.503 0.269 0.00 0.00 C+0 HETATM 50 C UNK 0 -1.835 -1.331 -0.589 0.00 0.00 C+0 HETATM 51 C UNK 0 -3.197 -1.252 -0.744 0.00 0.00 C+0 HETATM 52 C UNK 0 -3.988 -0.323 -0.039 0.00 0.00 C+0 HETATM 53 C UNK 0 -5.415 -0.314 -0.267 0.00 0.00 C+0 HETATM 54 C UNK 0 -6.245 0.488 0.316 0.00 0.00 C+0 HETATM 55 O UNK 0 -5.926 1.441 1.226 0.00 0.00 O+0 HETATM 56 C UNK 0 -3.289 0.491 0.809 0.00 0.00 C+0 HETATM 57 C UNK 0 -1.898 0.409 0.966 0.00 0.00 C+0 HETATM 58 C UNK 0 3.157 -0.830 0.627 0.00 0.00 C+0 HETATM 59 C UNK 0 4.545 -0.908 0.711 0.00 0.00 C+0 HETATM 60 C UNK 0 5.309 -0.133 -0.151 0.00 0.00 C+0 HETATM 61 O UNK 0 6.692 -0.167 -0.116 0.00 0.00 O+0 HETATM 62 Fe UNK 0 0.000 0.000 0.000 0.00 0.00 Fe+2 HETATM 63 H UNK 0 7.383 -0.955 -0.451 0.00 0.00 H+0 HETATM 64 H UNK 0 5.897 -1.943 -0.802 0.00 0.00 H+0 HETATM 65 H UNK 0 6.008 1.030 -0.125 0.00 0.00 H+0 HETATM 66 H UNK 0 3.933 -2.007 -0.988 0.00 0.00 H+0 HETATM 67 H UNK 0 1.496 -1.976 -1.193 0.00 0.00 H+0 HETATM 68 H UNK 0 -2.333 0.529 -1.888 0.00 0.00 H+0 HETATM 69 H UNK 0 -4.810 0.662 -1.994 0.00 0.00 H+0 HETATM 70 H UNK 0 -6.931 0.498 -0.868 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.555 -0.400 2.220 0.00 0.00 H+0 HETATM 72 H UNK 0 1.517 2.205 -0.252 0.00 0.00 H+0 HETATM 73 H UNK 0 3.926 2.148 -0.055 0.00 0.00 H+0 HETATM 74 H UNK 0 7.424 -0.763 -0.051 0.00 0.00 H+0 HETATM 75 H UNK 0 6.098 -0.616 1.193 0.00 0.00 H+0 HETATM 76 H UNK 0 5.907 -0.422 -1.843 0.00 0.00 H+0 HETATM 77 H UNK 0 4.172 -0.322 1.520 0.00 0.00 H+0 HETATM 78 H UNK 0 1.761 0.049 1.855 0.00 0.00 H+0 HETATM 79 H UNK 0 -2.060 1.831 0.272 0.00 0.00 H+0 HETATM 80 H UNK 0 -4.452 2.324 0.583 0.00 0.00 H+0 HETATM 81 H UNK 0 -6.729 1.506 0.785 0.00 0.00 H+0 HETATM 82 H UNK 0 -2.969 -2.332 0.074 0.00 0.00 H+0 HETATM 83 H UNK 0 1.227 0.362 -2.356 0.00 0.00 H+0 HETATM 84 H UNK 0 3.684 -0.019 -2.649 0.00 0.00 H+0 HETATM 85 H UNK 0 2.895 1.400 -1.854 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.234 -2.055 -1.140 0.00 0.00 H+0 HETATM 87 H UNK 0 -3.704 -1.931 -1.437 0.00 0.00 H+0 HETATM 88 H UNK 0 -5.804 -1.066 -1.008 0.00 0.00 H+0 HETATM 89 H UNK 0 -7.323 0.414 0.072 0.00 0.00 H+0 HETATM 90 H UNK 0 -5.898 2.444 1.048 0.00 0.00 H+0 HETATM 91 H UNK 0 -3.822 1.230 1.385 0.00 0.00 H+0 HETATM 92 H UNK 0 -1.382 1.069 1.645 0.00 0.00 H+0 HETATM 93 H UNK 0 2.536 -1.422 1.286 0.00 0.00 H+0 HETATM 94 H UNK 0 5.022 -1.551 1.426 0.00 0.00 H+0 HETATM 95 H UNK 0 7.242 -0.725 0.505 0.00 0.00 H+0 CONECT 1 2 63 64 CONECT 2 1 3 65 CONECT 3 2 4 20 CONECT 4 3 5 66 CONECT 5 4 6 67 CONECT 6 5 7 19 CONECT 7 6 8 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 18 CONECT 11 10 12 68 CONECT 12 11 13 69 CONECT 13 12 14 15 CONECT 14 13 70 CONECT 15 13 16 18 CONECT 16 15 17 CONECT 17 16 CONECT 18 15 10 71 CONECT 19 6 20 72 CONECT 20 19 3 73 CONECT 21 22 74 75 CONECT 22 21 23 76 CONECT 23 22 24 40 CONECT 24 23 25 77 CONECT 25 24 26 78 CONECT 26 25 27 39 CONECT 27 26 28 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 38 CONECT 31 30 32 79 CONECT 32 31 33 80 CONECT 33 32 34 35 CONECT 34 33 81 CONECT 35 33 36 38 CONECT 36 35 37 CONECT 37 36 CONECT 38 35 30 82 CONECT 39 26 40 83 CONECT 40 39 23 84 CONECT 41 42 CONECT 42 41 43 CONECT 43 42 44 60 CONECT 44 43 45 85 CONECT 45 44 46 58 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 CONECT 49 48 50 57 CONECT 50 49 51 86 CONECT 51 50 52 87 CONECT 52 51 53 56 CONECT 53 52 54 88 CONECT 54 53 55 89 CONECT 55 54 90 CONECT 56 52 57 91 CONECT 57 56 49 92 CONECT 58 45 59 93 CONECT 59 58 60 94 CONECT 60 59 61 43 CONECT 61 60 95 CONECT 63 1 CONECT 64 1 CONECT 65 2 CONECT 66 4 CONECT 67 5 CONECT 68 11 CONECT 69 12 CONECT 70 14 CONECT 71 18 CONECT 72 19 CONECT 73 20 CONECT 74 21 CONECT 75 21 CONECT 76 22 CONECT 77 24 CONECT 78 25 CONECT 79 31 CONECT 80 32 CONECT 81 34 CONECT 82 38 CONECT 83 39 CONECT 84 40 CONECT 85 44 CONECT 86 50 CONECT 87 51 CONECT 88 53 CONECT 89 54 CONECT 90 55 CONECT 91 56 CONECT 92 57 CONECT 93 58 CONECT 94 59 CONECT 95 61 MASTER 0 0 0 0 0 0 0 0 95 0 194 0 END