HEADER PROTEIN 23-FEB-18 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-18 0 HETATM 1 C UNK 0 -8.518 3.783 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -9.082 1.680 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -8.518 5.323 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -7.542 1.680 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -11.185 2.243 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -9.852 3.013 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 -7.184 6.093 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 -9.852 6.093 0.000 0.00 0.00 O-1 HETATM 9 O UNK 0 -6.772 0.346 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 -6.772 3.013 0.000 0.00 0.00 O-1 HETATM 11 O UNK 0 -11.185 0.703 0.000 0.00 0.00 O+0 HETATM 12 O UNK 0 -12.519 3.013 0.000 0.00 0.00 O-1 HETATM 13 O UNK 0 -10.622 4.347 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 2.179 3.861 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 1.615 1.757 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 2.179 5.401 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 3.155 1.757 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.488 2.321 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 0.845 3.091 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 3.513 6.171 0.000 0.00 0.00 O+0 HETATM 21 O UNK 0 0.845 6.171 0.000 0.00 0.00 O-1 HETATM 22 O UNK 0 3.925 3.091 0.000 0.00 0.00 O+0 HETATM 23 O UNK 0 3.925 0.424 0.000 0.00 0.00 O-1 HETATM 24 O UNK 0 -0.488 0.781 0.000 0.00 0.00 O+0 HETATM 25 O UNK 0 -1.822 3.091 0.000 0.00 0.00 O-1 HETATM 26 O UNK 0 0.075 4.425 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 12.106 4.124 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 11.543 2.021 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 12.106 5.664 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 13.083 2.021 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 9.439 2.584 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 10.773 3.354 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 10.773 6.434 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 13.440 6.434 0.000 0.00 0.00 O-1 HETATM 35 O UNK 0 13.853 3.354 0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 13.853 0.687 0.000 0.00 0.00 O-1 HETATM 37 O UNK 0 9.439 1.044 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 8.105 3.354 0.000 0.00 0.00 O-1 HETATM 39 O UNK 0 10.003 4.688 0.000 0.00 0.00 O+0 HETATM 40 Fe UNK 0 -11.185 6.863 0.000 0.00 0.00 Fe+3 HETATM 41 Fe UNK 0 -6.002 4.347 0.000 0.00 0.00 Fe+3 HETATM 42 Fe UNK 0 -13.853 3.783 0.000 0.00 0.00 Fe+3 HETATM 43 Fe UNK 0 -0.488 6.941 0.000 0.00 0.00 Fe+3 HETATM 44 O UNK 0 -7.447 -6.941 0.000 0.00 0.00 O-1 HETATM 45 O UNK 0 -6.884 -4.837 0.000 0.00 0.00 O-1 HETATM 46 O UNK 0 -9.551 -6.377 0.000 0.00 0.00 O+0 HETATM 47 O UNK 0 -12.067 -4.274 0.000 0.00 0.00 O-1 HETATM 48 O UNK 0 -10.527 -2.734 0.000 0.00 0.00 O+0 HETATM 49 O UNK 0 -10.527 -5.814 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 -8.987 -4.274 0.000 0.00 0.00 O+0 HETATM 51 P UNK 0 -8.217 -5.607 0.000 0.00 0.00 P+0 HETATM 52 P UNK 0 -10.527 -4.274 0.000 0.00 0.00 P+0 HETATM 53 O UNK 0 1.256 -6.941 0.000 0.00 0.00 O+0 HETATM 54 O UNK 0 1.820 -4.837 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 -0.847 -6.377 0.000 0.00 0.00 O+0 HETATM 56 O UNK 0 -3.364 -4.274 0.000 0.00 0.00 O+0 HETATM 57 O UNK 0 -1.824 -2.734 0.000 0.00 0.00 O+0 HETATM 58 O UNK 0 -1.824 -5.814 0.000 0.00 0.00 O+0 HETATM 59 O UNK 0 -0.284 -4.274 0.000 0.00 0.00 O+0 HETATM 60 P UNK 0 0.486 -5.607 0.000 0.00 0.00 P+0 HETATM 61 P UNK 0 -1.824 -4.274 0.000 0.00 0.00 P+0 HETATM 62 O UNK 0 9.960 -6.941 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 10.524 -4.837 0.000 0.00 0.00 O+0 HETATM 64 O UNK 0 7.856 -6.377 0.000 0.00 0.00 O+0 HETATM 65 O UNK 0 5.340 -4.274 0.000 0.00 0.00 O+0 HETATM 66 O UNK 0 6.880 -2.734 0.000 0.00 0.00 O+0 HETATM 67 O UNK 0 6.880 -5.814 0.000 0.00 0.00 O+0 HETATM 68 O UNK 0 8.420 -4.274 0.000 0.00 0.00 O+0 HETATM 69 P UNK 0 9.190 -5.607 0.000 0.00 0.00 P+0 HETATM 70 P UNK 0 6.880 -4.274 0.000 0.00 0.00 P+0 CONECT 1 3 6 CONECT 2 4 6 CONECT 3 1 7 8 CONECT 4 2 9 10 CONECT 5 6 11 12 CONECT 6 1 2 5 13 CONECT 7 3 CONECT 8 3 CONECT 9 4 CONECT 10 4 CONECT 11 5 CONECT 12 5 CONECT 13 6 CONECT 14 16 19 CONECT 15 17 19 CONECT 16 14 20 21 CONECT 17 15 22 23 CONECT 18 19 24 25 CONECT 19 14 15 18 26 CONECT 20 16 CONECT 21 16 CONECT 22 17 CONECT 23 17 CONECT 24 18 CONECT 25 18 CONECT 26 19 CONECT 27 29 32 CONECT 28 30 32 CONECT 29 27 33 34 CONECT 30 28 35 36 CONECT 31 32 37 38 CONECT 32 27 28 31 39 CONECT 33 29 CONECT 34 29 CONECT 35 30 CONECT 36 30 CONECT 37 31 CONECT 38 31 CONECT 39 32 CONECT 44 51 CONECT 45 51 CONECT 46 51 CONECT 47 52 CONECT 48 52 CONECT 49 52 CONECT 50 51 52 CONECT 51 44 45 46 50 CONECT 52 47 48 49 50 CONECT 53 60 CONECT 54 60 CONECT 55 60 CONECT 56 61 CONECT 57 61 CONECT 58 61 CONECT 59 60 61 CONECT 60 53 54 55 59 CONECT 61 56 57 58 59 CONECT 62 69 CONECT 63 69 CONECT 64 69 CONECT 65 70 CONECT 66 70 CONECT 67 70 CONECT 68 69 70 CONECT 69 62 63 64 68 CONECT 70 65 66 67 68 MASTER 0 0 0 0 0 0 0 0 70 0 120 0 END