HEADER PROTEIN 23-FEB-12 NONE TITLE NULL COMPND MOLECULE: 1338 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-12 0 HETATM 1 O UNK 0 17.486 3.169 0.000 0.00 0.00 O+0 HETATM 2 O UNK 0 7.245 -3.464 0.000 0.00 0.00 O+0 HETATM 3 O UNK 0 14.950 3.998 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 8.569 -5.780 0.000 0.00 0.00 O+0 HETATM 5 N UNK 0 19.446 0.466 0.000 0.00 0.00 N+0 HETATM 6 N UNK 0 7.269 -0.243 0.000 0.00 0.00 N+0 HETATM 7 N UNK 0 22.526 0.466 0.000 0.00 0.00 N+1 HETATM 8 N UNK 0 4.620 1.328 0.000 0.00 0.00 N+1 HETATM 9 C UNK 0 14.216 -1.074 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 12.883 -0.304 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 15.550 -0.304 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 15.550 1.236 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 11.481 -1.084 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 11.469 -2.688 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 12.883 1.236 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 14.216 2.006 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 17.007 1.706 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 17.007 -0.773 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 14.241 -2.678 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 17.906 0.466 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 12.858 -3.490 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 10.054 -0.216 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 10.028 -3.535 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 8.594 -1.029 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 15.550 2.776 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 11.493 0.456 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 8.581 -2.700 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 20.216 -0.867 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 20.216 1.800 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 5.927 -0.998 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 7.287 1.297 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 21.756 -0.867 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 21.756 1.800 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 4.602 -0.212 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 5.963 2.082 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 16.457 4.316 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 23.860 -0.304 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 23.860 1.236 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 7.239 -5.004 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 3.865 2.670 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 3.080 1.345 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 16.936 5.780 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 5.902 -5.769 0.000 0.00 0.00 C+0 HETATM 44 H UNK 0 15.288 -1.681 0.000 0.00 0.00 H+0 HETATM 45 H UNK 0 13.950 0.312 0.000 0.00 0.00 H+0 HETATM 46 H UNK 0 15.681 -1.529 0.000 0.00 0.00 H+0 HETATM 47 H UNK 0 11.474 -3.920 0.000 0.00 0.00 H+0 CONECT 1 17 36 CONECT 2 27 39 CONECT 3 36 CONECT 4 39 CONECT 5 20 28 29 CONECT 6 24 30 31 CONECT 7 32 33 37 38 CONECT 8 34 35 40 41 CONECT 9 10 11 19 44 CONECT 10 9 13 15 45 CONECT 11 9 12 18 46 CONECT 12 11 16 17 25 CONECT 13 10 14 22 26 CONECT 14 13 21 23 47 CONECT 15 10 16 CONECT 16 12 15 CONECT 17 1 12 20 CONECT 18 11 20 CONECT 19 9 21 CONECT 20 5 17 18 CONECT 21 14 19 CONECT 22 13 24 CONECT 23 14 27 CONECT 24 6 22 27 CONECT 25 12 CONECT 26 13 CONECT 27 2 23 24 CONECT 28 5 32 CONECT 29 5 33 CONECT 30 6 34 CONECT 31 6 35 CONECT 32 7 28 CONECT 33 7 29 CONECT 34 8 30 CONECT 35 8 31 CONECT 36 1 3 42 CONECT 37 7 CONECT 38 7 CONECT 39 2 4 43 CONECT 40 8 CONECT 41 8 CONECT 42 36 CONECT 43 39 CONECT 44 9 CONECT 45 10 CONECT 46 11 CONECT 47 14 MASTER 0 0 0 0 0 0 0 0 47 0 104 0 END