HEADER PROTEIN 23-FEB-12 NONE TITLE NULL COMPND MOLECULE: 438 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-12 0 HETATM 1 S UNK 0 9.748 1.251 0.000 0.00 0.00 S+0 HETATM 2 S UNK 0 20.273 0.488 0.000 0.00 0.00 S+0 HETATM 3 O UNK 0 13.721 4.658 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 8.415 6.641 0.000 0.00 0.00 O-1 HETATM 5 O UNK 0 11.082 6.641 0.000 0.00 0.00 O+0 HETATM 6 O UNK 0 15.611 2.806 0.000 0.00 0.00 O+0 HETATM 7 O UNK 0 14.407 -1.655 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 14.690 -5.719 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 12.115 -5.023 0.000 0.00 0.00 O+0 HETATM 10 N UNK 0 11.082 3.561 0.000 0.00 0.00 N+0 HETATM 11 N UNK 0 13.721 0.923 0.000 0.00 0.00 N+0 HETATM 12 N UNK 0 5.747 3.561 0.000 0.00 0.00 N+1 HETATM 13 N UNK 0 15.895 -1.259 0.000 0.00 0.00 N+0 HETATM 14 N UNK 0 18.340 2.060 0.000 0.00 0.00 N+0 HETATM 15 N UNK 0 20.849 3.171 0.000 0.00 0.00 N+0 HETATM 16 C UNK 0 11.082 2.021 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 12.635 2.015 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 12.635 3.567 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 9.748 4.331 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 8.415 3.561 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 8.415 2.021 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 7.081 4.331 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 9.748 5.871 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 15.210 1.319 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 16.297 0.228 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 5.747 2.021 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 4.414 4.331 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 17.785 0.623 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 4.414 1.251 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 3.080 3.561 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 3.080 2.021 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 14.005 -3.141 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 18.980 -0.348 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 12.518 -2.740 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 15.492 -3.543 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 13.603 -4.628 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 19.878 1.976 0.000 0.00 0.00 C+0 HETATM 38 H UNK 0 11.398 0.830 0.000 0.00 0.00 H+0 CONECT 1 16 21 CONECT 2 33 37 CONECT 3 18 CONECT 4 23 CONECT 5 23 CONECT 6 24 CONECT 7 13 32 CONECT 8 36 CONECT 9 36 CONECT 10 16 18 19 CONECT 11 17 24 CONECT 12 22 26 27 CONECT 13 7 25 CONECT 14 28 37 CONECT 15 37 CONECT 16 1 10 17 38 CONECT 17 11 16 18 CONECT 18 3 10 17 CONECT 19 10 20 23 CONECT 20 19 21 22 CONECT 21 1 20 CONECT 22 12 20 CONECT 23 4 5 19 CONECT 24 6 11 25 CONECT 25 13 24 28 CONECT 26 12 29 CONECT 27 12 30 CONECT 28 14 25 33 CONECT 29 26 31 CONECT 30 27 31 CONECT 31 29 30 CONECT 32 7 34 35 36 CONECT 33 2 28 CONECT 34 32 CONECT 35 32 CONECT 36 8 9 32 CONECT 37 2 14 15 CONECT 38 16 MASTER 0 0 0 0 0 0 0 0 38 0 82 0 END