HEADER PROTEIN 24-FEB-12 NONE TITLE NULL COMPND MOLECULE: H22 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-FEB-12 0 HETATM 1 F UNK 0 -4.246 11.606 0.000 0.00 0.00 F+0 HETATM 2 C UNK 0 -2.782 12.082 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.462 13.589 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.997 14.064 0.000 0.00 0.00 C+0 HETATM 5 N UNK 0 -0.677 15.571 0.000 0.00 0.00 N+0 HETATM 6 C UNK 0 -1.821 16.601 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.501 18.108 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.036 18.583 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 1.108 17.553 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 0.788 16.047 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 1.932 15.016 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 0.147 13.034 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.173 11.528 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.637 11.052 0.000 0.00 0.00 C+0 HETATM 15 N UNK 0 -1.958 9.545 0.000 0.00 0.00 N+0 HETATM 16 C UNK 0 -3.422 9.070 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 -4.567 10.100 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 -3.742 7.563 0.000 0.00 0.00 C+0 HETATM 19 N UNK 0 -5.207 7.087 0.000 0.00 0.00 N+0 HETATM 20 C UNK 0 -5.683 5.623 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -7.223 5.623 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -7.699 7.087 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -6.453 7.993 0.000 0.00 0.00 C+0 HETATM 24 N UNK 0 -8.128 4.377 0.000 0.00 0.00 N+0 HETATM 25 C UNK 0 -9.660 4.538 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 -10.286 5.945 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 -10.565 3.292 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -10.089 1.827 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -11.335 0.922 0.000 0.00 0.00 C+0 HETATM 30 S UNK 0 -12.105 3.292 0.000 0.00 0.00 S+0 HETATM 31 C UNK 0 -12.581 1.827 0.000 0.00 0.00 C+0 HETATM 32 Cl UNK 0 -14.045 1.351 0.000 0.00 0.00 Cl+0 HETATM 33 H UNK 0 -6.728 4.651 0.000 0.00 0.00 H+0 CONECT 1 2 CONECT 2 1 3 14 CONECT 3 2 4 CONECT 4 3 5 12 CONECT 5 4 6 10 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 9 CONECT 9 8 10 CONECT 10 5 9 11 CONECT 11 10 CONECT 12 4 13 CONECT 13 12 14 CONECT 14 2 13 15 CONECT 15 14 16 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 CONECT 19 18 20 23 CONECT 20 19 21 CONECT 21 20 24 33 22 CONECT 22 21 23 CONECT 23 19 22 CONECT 24 21 25 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 30 CONECT 28 27 29 CONECT 29 28 31 CONECT 30 27 31 CONECT 31 29 30 32 CONECT 32 31 CONECT 33 21 MASTER 0 0 0 0 0 0 0 0 33 0 72 0 END