HEADER PROTEIN 24-FEB-12 NONE TITLE NULL COMPND MOLECULE: B97 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-FEB-12 0 HETATM 1 C UNK 0 -0.179 -0.210 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 4.081 1.577 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 0.659 -4.197 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.762 -4.793 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 1.241 0.386 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 5.502 2.173 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 5.113 -0.883 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.373 -1.738 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.793 -2.333 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 3.887 0.049 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 0.853 -2.670 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -3.186 -1.677 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.987 -3.861 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 2.467 -0.546 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -4.241 -2.798 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 6.727 1.241 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -5.776 -2.673 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -4.734 0.627 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -6.171 0.074 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 8.148 1.836 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -7.293 1.129 0.000 0.00 0.00 C+0 HETATM 22 N UNK 0 6.533 -0.287 0.000 0.00 0.00 N+0 HETATM 23 N UNK 0 2.273 -2.074 0.000 0.00 0.00 N+0 HETATM 24 N UNK 0 -3.405 -0.152 0.000 0.00 0.00 N+0 HETATM 25 N UNK 0 -6.635 -1.395 0.000 0.00 0.00 N+0 HETATM 26 O UNK 0 -6.555 -4.001 0.000 0.00 0.00 O+0 HETATM 27 S UNK 0 -3.500 -4.148 0.000 0.00 0.00 S+0 HETATM 28 H UNK 0 -5.961 1.144 0.000 0.00 0.00 H+0 CONECT 1 5 8 CONECT 2 6 10 CONECT 3 4 11 CONECT 4 3 13 CONECT 5 1 14 CONECT 6 2 16 CONECT 7 10 22 CONECT 8 1 9 11 CONECT 9 8 12 13 CONECT 10 2 7 14 CONECT 11 3 8 23 CONECT 12 9 15 24 CONECT 13 4 9 27 CONECT 14 5 10 23 CONECT 15 12 17 27 CONECT 16 6 20 22 CONECT 17 15 25 26 CONECT 18 19 24 CONECT 19 18 21 25 28 CONECT 20 16 CONECT 21 19 CONECT 22 7 16 CONECT 23 11 14 CONECT 24 12 18 CONECT 25 17 19 CONECT 26 17 CONECT 27 13 15 CONECT 28 19 MASTER 0 0 0 0 0 0 0 0 28 0 64 0 END