HEADER PROTEIN 06-NOV-19 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 06-NOV-19 0 HETATM 1 C UNK 0 -1.927 7.616 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.927 6.076 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.260 8.386 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 -3.260 5.306 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 -4.594 7.616 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.594 6.076 0.000 0.00 0.00 C+0 HETATM 7 N UNK 0 -5.932 8.368 0.000 0.00 0.00 N+0 HETATM 8 O UNK 0 -5.932 5.288 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 -5.932 3.748 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -7.267 7.588 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -8.605 8.352 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 -7.261 6.048 0.000 0.00 0.00 O+0 HETATM 13 N UNK 0 -0.588 5.288 0.000 0.00 0.00 N+0 HETATM 14 C UNK 0 0.951 5.288 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 2.287 6.067 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 1.427 3.823 0.000 0.00 0.00 O+0 HETATM 17 O UNK 0 -1.064 3.823 0.000 0.00 0.00 O-1 HETATM 18 C UNK 0 3.623 5.306 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 4.952 6.084 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 3.632 3.766 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 6.290 5.322 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 7.619 6.100 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 -4.205 2.684 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -5.378 1.686 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -7.107 2.296 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -5.100 0.172 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -3.622 -0.253 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 -2.717 0.993 0.000 0.00 0.00 O+0 HETATM 29 N UNK 0 -2.717 -1.499 0.000 0.00 0.00 N+0 HETATM 30 O UNK 0 -1.252 -1.023 0.000 0.00 0.00 O-1 HETATM 31 C UNK 0 -2.722 -3.042 0.000 0.00 0.00 C+0 HETATM 32 N UNK 0 -0.690 -4.376 0.000 0.00 0.00 N+0 HETATM 33 C UNK 0 -1.460 -5.710 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -3.000 -5.710 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -3.770 -4.376 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 0.849 -4.376 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 1.619 -5.710 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -0.690 -7.043 0.000 0.00 0.00 C+0 HETATM 39 N UNK 0 0.849 -7.043 0.000 0.00 0.00 N+0 HETATM 40 O UNK 0 1.601 -3.042 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 -1.460 -8.386 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 5.525 -0.253 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 3.985 -0.253 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 3.080 0.993 0.000 0.00 0.00 O+0 HETATM 45 N UNK 0 3.080 -1.499 0.000 0.00 0.00 N+0 HETATM 46 O UNK 0 1.615 -1.023 0.000 0.00 0.00 O-1 HETATM 47 C UNK 0 3.159 -5.710 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 3.929 -4.377 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 3.066 -3.043 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 6.295 -1.586 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 7.835 -1.586 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 5.525 -2.920 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 8.605 -2.920 0.000 0.00 0.00 C+0 HETATM 54 H UNK 0 -2.555 -6.809 0.000 0.00 0.00 H+0 HETATM 55 H UNK 0 2.714 -6.809 0.000 0.00 0.00 H+0 HETATM 56 Fe UNK 0 -0.050 1.744 0.000 0.00 0.00 Fe+3 HETATM 57 O UNK 0 7.835 -4.254 0.000 0.00 0.00 O+0 CONECT 1 2 3 CONECT 2 1 13 CONECT 3 1 5 CONECT 4 6 CONECT 5 3 6 7 CONECT 6 4 5 8 CONECT 7 5 10 CONECT 8 6 9 CONECT 9 8 25 CONECT 10 7 11 12 CONECT 11 10 CONECT 12 10 CONECT 13 2 14 17 CONECT 14 15 16 13 CONECT 15 14 18 CONECT 16 14 CONECT 17 13 CONECT 18 15 19 20 CONECT 19 18 21 CONECT 20 18 CONECT 21 19 22 CONECT 22 21 CONECT 23 24 CONECT 24 25 23 26 CONECT 25 24 9 CONECT 26 24 27 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 31 CONECT 30 29 CONECT 31 29 35 CONECT 32 36 33 CONECT 33 34 32 38 54 CONECT 34 33 35 CONECT 35 34 31 CONECT 36 32 37 40 CONECT 37 36 47 39 55 CONECT 38 33 39 41 CONECT 39 38 37 CONECT 40 36 CONECT 41 38 CONECT 42 43 50 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 46 49 CONECT 46 45 CONECT 47 37 48 CONECT 48 47 49 CONECT 49 48 45 CONECT 50 42 51 52 CONECT 51 50 53 CONECT 52 50 CONECT 53 51 57 CONECT 54 33 CONECT 55 37 CONECT 57 53 MASTER 0 0 0 0 0 0 0 0 57 0 112 0 END