HEADER PROTEIN 23-FEB-12 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-12 0 HETATM 1 C UNK 0 2.831 2.361 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 3.053 0.837 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 1.514 0.777 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 0.692 2.079 0.000 0.00 0.00 C+0 HETATM 5 O UNK 0 -0.847 2.018 0.000 0.00 0.00 O+0 HETATM 6 O UNK 0 1.408 3.442 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 4.545 1.217 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 5.517 2.967 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 6.850 3.737 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 7.421 5.168 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 6.598 6.470 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 5.060 6.409 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 4.238 7.711 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 2.699 7.650 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 4.954 9.074 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 8.957 5.067 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 8.896 6.606 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 10.481 5.289 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 11.052 6.719 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 10.098 7.928 0.000 0.00 0.00 O+0 HETATM 21 O UNK 0 12.576 6.940 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 9.337 3.575 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 11.087 2.603 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 11.857 1.270 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 13.287 0.699 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 14.590 1.521 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 14.529 3.060 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 13.166 3.777 0.000 0.00 0.00 O+0 HETATM 29 O UNK 0 15.831 3.882 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 13.187 -0.837 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 14.371 -1.822 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 15.816 -1.289 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 17.000 -2.273 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 18.445 -1.740 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 16.740 -3.791 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 11.694 -1.217 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 10.723 -2.967 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 9.389 -3.737 0.000 0.00 0.00 C+0 HETATM 39 N UNK 0 8.205 -2.753 0.000 0.00 0.00 N+0 HETATM 40 C UNK 0 6.903 -3.575 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 5.153 -2.603 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 4.383 -1.270 0.000 0.00 0.00 C+0 HETATM 43 N UNK 0 5.367 -0.085 0.000 0.00 0.00 N+0 HETATM 44 Fe UNK 0 8.120 0.000 0.000 0.00 0.00 Fe+0 HETATM 45 N UNK 0 8.035 2.753 0.000 0.00 0.00 N+0 HETATM 46 N UNK 0 10.872 0.085 0.000 0.00 0.00 N+0 HETATM 47 C UNK 0 2.952 -0.699 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 1.650 -1.521 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 0.287 -0.805 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -1.015 -1.627 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 -0.954 -3.165 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 -2.378 -0.910 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 7.282 -5.067 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 6.298 -6.251 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 6.831 -7.696 0.000 0.00 0.00 C+0 HETATM 56 O UNK 0 8.349 -7.957 0.000 0.00 0.00 O+0 HETATM 57 O UNK 0 5.847 -8.880 0.000 0.00 0.00 O+0 HETATM 58 C UNK 0 8.819 -5.168 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 9.641 -6.470 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 11.180 -6.409 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 11.897 -5.046 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 11.075 -3.744 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 13.436 -4.985 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 7 47 CONECT 3 2 4 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 CONECT 7 2 8 43 CONECT 8 7 9 CONECT 9 8 10 45 CONECT 10 9 11 16 CONECT 11 10 12 CONECT 12 11 13 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 CONECT 16 10 17 18 22 CONECT 17 16 CONECT 18 16 19 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 CONECT 22 16 23 45 CONECT 23 22 24 CONECT 24 23 25 46 CONECT 25 24 26 30 CONECT 26 25 27 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 CONECT 30 25 31 36 CONECT 31 30 32 CONECT 32 31 33 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 CONECT 36 30 37 46 CONECT 37 36 38 CONECT 38 37 39 58 CONECT 39 38 40 44 CONECT 40 39 41 53 CONECT 41 40 42 CONECT 42 41 43 47 CONECT 43 42 7 44 CONECT 44 43 39 45 46 CONECT 45 44 9 22 CONECT 46 44 24 36 CONECT 47 42 2 48 CONECT 48 47 49 CONECT 49 48 50 CONECT 50 49 51 52 CONECT 51 50 CONECT 52 50 CONECT 53 40 54 58 CONECT 54 53 55 CONECT 55 54 56 57 CONECT 56 55 CONECT 57 55 CONECT 58 53 38 59 CONECT 59 58 60 CONECT 60 59 61 CONECT 61 60 62 63 CONECT 62 61 CONECT 63 61 MASTER 0 0 0 0 0 0 0 0 63 0 140 0 END