HEADER PROTEIN 17-JUN-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 17-JUN-22 0 HETATM 1 C UNK 0 -6.316 -1.896 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.977 -5.375 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 3.080 -5.317 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -5.329 2.878 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 2.975 5.372 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -5.332 -3.080 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.995 5.263 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 5.358 -2.998 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 5.310 3.057 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -4.444 5.785 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 5.906 -4.437 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 6.276 1.858 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 0.021 -3.826 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -3.837 -0.088 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 0.009 3.826 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 3.813 0.033 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -2.766 -3.850 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 2.808 -3.801 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -3.807 2.645 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 2.741 3.850 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -3.814 -2.821 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -2.723 3.748 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 3.837 -2.754 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 3.789 2.821 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -1.352 -3.072 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 1.326 -3.104 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -3.139 1.339 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 1.327 3.127 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -3.115 -1.393 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -1.351 3.104 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 3.114 -1.284 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 3.036 1.393 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -4.716 7.301 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 7.427 -4.682 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 7.798 2.095 0.000 0.00 0.00 C+0 HETATM 36 N UNK 0 -1.583 -1.653 0.000 0.00 0.00 N-1 HETATM 37 N UNK 0 1.587 -1.626 0.000 0.00 0.00 N+0 HETATM 38 N UNK 0 -1.666 1.625 0.000 0.00 0.00 N-1 HETATM 39 N UNK 0 1.613 1.599 0.000 0.00 0.00 N+0 HETATM 40 O UNK 0 -3.540 8.295 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 -6.165 7.823 0.000 0.00 0.00 O-1 HETATM 42 O UNK 0 7.975 -6.121 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 8.399 -3.488 0.000 0.00 0.00 O-1 HETATM 44 O UNK 0 8.354 3.531 0.000 0.00 0.00 O+0 HETATM 45 O UNK 0 8.764 0.896 0.000 0.00 0.00 O-1 HETATM 46 Fe UNK 0 -7.614 8.346 0.000 0.00 0.00 Fe+2 HETATM 47 H UNK 0 0.023 -5.366 0.000 0.00 0.00 H+0 HETATM 48 H UNK 0 -5.377 -0.127 0.000 0.00 0.00 H+0 HETATM 49 H UNK 0 0.008 5.366 0.000 0.00 0.00 H+0 HETATM 50 H UNK 0 5.353 0.058 0.000 0.00 0.00 H+0 CONECT 1 6 CONECT 2 17 CONECT 3 18 CONECT 4 19 CONECT 5 20 CONECT 6 1 21 CONECT 7 10 22 CONECT 8 11 23 CONECT 9 12 24 CONECT 10 7 33 CONECT 11 8 34 CONECT 12 9 35 CONECT 13 25 26 47 CONECT 14 27 29 48 CONECT 15 28 30 49 CONECT 16 31 32 50 CONECT 17 2 21 25 CONECT 18 3 23 26 CONECT 19 4 22 27 CONECT 20 5 24 28 CONECT 21 6 17 29 CONECT 22 7 19 30 CONECT 23 8 18 31 CONECT 24 9 20 32 CONECT 25 13 17 36 CONECT 26 13 18 37 CONECT 27 14 19 38 CONECT 28 15 20 39 CONECT 29 14 21 36 CONECT 30 15 22 38 CONECT 31 16 23 37 CONECT 32 16 24 39 CONECT 33 10 40 41 CONECT 34 11 42 43 CONECT 35 12 44 45 CONECT 36 25 29 CONECT 37 26 31 CONECT 38 27 30 CONECT 39 28 32 CONECT 40 33 CONECT 41 33 CONECT 42 34 CONECT 43 34 CONECT 44 35 CONECT 45 35 CONECT 47 13 CONECT 48 14 CONECT 49 15 CONECT 50 16 MASTER 0 0 0 0 0 0 0 0 50 0 106 0 END