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 O UNK 0 3.799 0.479 0.824 0.00 0.00 O+0 HETATM 2 C UNK 0 2.968 0.815 -0.027 0.00 0.00 C+0 HETATM 3 C UNK 0 1.590 0.376 0.116 0.00 0.00 C+0 HETATM 4 C UNK 0 0.699 0.732 -0.791 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.684 0.319 -0.692 0.00 0.00 C+0 HETATM 6 N UNK 0 -1.508 0.720 -1.641 0.00 0.00 N+0 HETATM 7 O UNK 0 -2.832 0.383 -1.637 0.00 0.00 O+0 HETATM 8 C UNK 0 -1.168 -0.510 0.411 0.00 0.00 C+0 HETATM 9 O UNK 0 -1.598 -1.728 -0.207 0.00 0.00 O+0 HETATM 10 C UNK 0 -0.106 -0.848 1.356 0.00 0.00 C+0 HETATM 11 C UNK 0 1.133 -0.450 1.223 0.00 0.00 C+0 HETATM 12 O UNK 0 3.575 1.166 -0.166 0.00 0.00 O+0 HETATM 13 C UNK 0 2.581 0.966 0.570 0.00 0.00 C+0 HETATM 14 C UNK 0 1.299 0.473 0.087 0.00 0.00 C+0 HETATM 15 C UNK 0 0.272 0.273 0.896 0.00 0.00 C+0 HETATM 16 C UNK 0 -0.998 -0.220 0.386 0.00 0.00 C+0 HETATM 17 N UNK 0 -1.973 -0.401 1.202 0.00 0.00 N+0 HETATM 18 O UNK 0 -1.795 -0.127 2.529 0.00 0.00 O+0 HETATM 19 C UNK 0 -1.204 -0.521 -1.046 0.00 0.00 C+0 HETATM 20 O UNK 0 -1.572 -1.884 -1.116 0.00 0.00 O+0 HETATM 21 C UNK 0 0.008 -0.261 -1.846 0.00 0.00 C+0 HETATM 22 C UNK 0 1.151 0.191 -1.338 0.00 0.00 C+0 HETATM 23 O UNK 0 -3.211 1.387 -0.097 0.00 0.00 O+0 HETATM 24 C UNK 0 -2.695 0.178 -0.513 0.00 0.00 C+0 HETATM 25 C UNK 0 -1.279 0.034 -0.076 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.335 -0.125 -0.981 0.00 0.00 C+0 HETATM 27 C UNK 0 1.050 -0.267 -0.572 0.00 0.00 C+0 HETATM 28 N UNK 0 1.912 -0.419 -1.552 0.00 0.00 N+0 HETATM 29 O UNK 0 3.248 -0.566 -1.342 0.00 0.00 O+0 HETATM 30 C UNK 0 1.439 -0.240 0.816 0.00 0.00 C+0 HETATM 31 O UNK 0 2.488 0.649 1.089 0.00 0.00 O+0 HETATM 32 C UNK 0 0.313 -0.060 1.730 0.00 0.00 C+0 HETATM 33 C UNK 0 -0.932 0.067 1.333 0.00 0.00 C+0 HETATM 34 Fe UNK 0 0.000 0.000 0.000 0.00 0.00 Fe+0 HETATM 35 H UNK 0 3.244 1.417 -0.857 0.00 0.00 H+0 HETATM 36 H UNK 0 0.999 1.359 -1.651 0.00 0.00 H+0 HETATM 37 H UNK 0 -3.525 0.839 -1.040 0.00 0.00 H+0 HETATM 38 H UNK 0 -2.060 -0.054 0.924 0.00 0.00 H+0 HETATM 39 H UNK 0 -2.525 -1.653 -0.507 0.00 0.00 H+0 HETATM 40 H UNK 0 -0.338 -1.469 2.233 0.00 0.00 H+0 HETATM 41 H UNK 0 1.911 -0.727 1.962 0.00 0.00 H+0 HETATM 42 H UNK 0 2.690 1.173 1.623 0.00 0.00 H+0 HETATM 43 H UNK 0 0.403 0.490 1.961 0.00 0.00 H+0 HETATM 44 H UNK 0 -2.104 0.715 2.992 0.00 0.00 H+0 HETATM 45 H UNK 0 -2.080 0.053 -1.440 0.00 0.00 H+0 HETATM 46 H UNK 0 -2.257 -2.008 -0.389 0.00 0.00 H+0 HETATM 47 H UNK 0 -0.002 -0.440 -2.922 0.00 0.00 H+0 HETATM 48 H UNK 0 2.007 0.362 -1.983 0.00 0.00 H+0 HETATM 49 H UNK 0 -3.068 2.047 -0.838 0.00 0.00 H+0 HETATM 50 H UNK 0 -2.743 0.124 -1.619 0.00 0.00 H+0 HETATM 51 H UNK 0 -3.280 -0.699 -0.135 0.00 0.00 H+0 HETATM 52 H UNK 0 -0.613 -0.147 -2.045 0.00 0.00 H+0 HETATM 53 H UNK 0 3.772 -1.055 -2.083 0.00 0.00 H+0 HETATM 54 H UNK 0 1.849 -1.279 1.039 0.00 0.00 H+0 HETATM 55 H UNK 0 3.341 0.191 0.942 0.00 0.00 H+0 HETATM 56 H UNK 0 0.475 -0.021 2.830 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.732 0.199 2.073 0.00 0.00 H+0 CONECT 1 2 CONECT 2 1 3 35 CONECT 3 2 4 11 CONECT 4 3 5 36 CONECT 5 4 6 8 CONECT 6 5 7 CONECT 7 6 37 CONECT 8 5 9 10 38 CONECT 9 8 39 CONECT 10 8 11 40 CONECT 11 10 3 41 CONECT 12 13 CONECT 13 12 14 42 CONECT 14 13 15 22 CONECT 15 14 16 43 CONECT 16 15 17 19 CONECT 17 16 18 CONECT 18 17 44 CONECT 19 16 20 21 45 CONECT 20 19 46 CONECT 21 19 22 47 CONECT 22 21 14 48 CONECT 23 24 49 CONECT 24 23 25 50 51 CONECT 25 24 26 33 CONECT 26 25 27 52 CONECT 27 26 28 30 CONECT 28 27 29 CONECT 29 28 53 CONECT 30 27 31 32 54 CONECT 31 30 55 CONECT 32 30 33 56 CONECT 33 32 25 57 CONECT 35 2 CONECT 36 4 CONECT 37 7 CONECT 38 8 CONECT 39 9 CONECT 40 10 CONECT 41 11 CONECT 42 13 CONECT 43 15 CONECT 44 18 CONECT 45 19 CONECT 46 20 CONECT 47 21 CONECT 48 22 CONECT 49 23 CONECT 50 24 CONECT 51 24 CONECT 52 26 CONECT 53 29 CONECT 54 30 CONECT 55 31 CONECT 56 32 CONECT 57 33 MASTER 0 0 0 0 0 0 0 0 57 0 112 0 END