HEADER PROTEIN 23-FEB-12 NONE TITLE NULL COMPND MOLECULE: MCPA-CoA.mol SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-12 0 HETATM 1 C UNK 0 10.419 -5.005 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 -5.093 -3.453 0.000 0.00 0.00 O+0 HETATM 3 O UNK 0 -5.569 0.504 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 -4.664 -0.742 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -5.569 -1.988 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -7.034 -1.512 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -7.034 0.028 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 -8.280 -2.418 0.000 0.00 0.00 O+0 HETATM 9 N UNK 0 -9.744 2.949 0.000 0.00 0.00 N+0 HETATM 10 C UNK 0 -8.280 2.473 0.000 0.00 0.00 C+0 HETATM 11 N UNK 0 -8.280 0.933 0.000 0.00 0.00 N+0 HETATM 12 C UNK 0 -9.744 0.457 0.000 0.00 0.00 C+0 HETATM 13 N UNK 0 -10.371 -0.950 0.000 0.00 0.00 N+0 HETATM 14 C UNK 0 -11.902 -1.111 0.000 0.00 0.00 C+0 HETATM 15 N UNK 0 -12.808 0.135 0.000 0.00 0.00 N+0 HETATM 16 C UNK 0 -12.181 1.542 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -10.650 1.703 0.000 0.00 0.00 C+0 HETATM 18 N UNK 0 -13.086 2.787 0.000 0.00 0.00 N+0 HETATM 19 C UNK 0 -3.124 -0.742 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 -2.354 -2.076 0.000 0.00 0.00 O+0 HETATM 21 P UNK 0 -0.814 -2.076 0.000 0.00 0.00 P+0 HETATM 22 O UNK 0 -0.814 -3.616 0.000 0.00 0.00 O+0 HETATM 23 O UNK 0 0.726 -2.076 0.000 0.00 0.00 O+0 HETATM 24 O UNK 0 -0.814 -0.536 0.000 0.00 0.00 O+0 HETATM 25 P UNK 0 0.520 0.234 0.000 0.00 0.00 P+0 HETATM 26 O UNK 0 1.290 -1.100 0.000 0.00 0.00 O+0 HETATM 27 O UNK 0 1.853 1.004 0.000 0.00 0.00 O+0 HETATM 28 O UNK 0 -0.250 1.568 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 0.520 2.901 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -0.250 4.235 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 1.083 5.005 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -1.584 3.465 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -1.020 5.568 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 1.083 6.545 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 2.417 4.235 0.000 0.00 0.00 C+0 HETATM 36 N UNK 0 2.417 2.695 0.000 0.00 0.00 N+0 HETATM 37 O UNK 0 3.751 5.005 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 3.751 1.925 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 3.751 0.385 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 5.084 -0.385 0.000 0.00 0.00 C+0 HETATM 41 N UNK 0 5.084 -1.925 0.000 0.00 0.00 N+0 HETATM 42 O UNK 0 6.418 0.385 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 6.418 -2.695 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 6.418 -4.235 0.000 0.00 0.00 C+0 HETATM 45 S UNK 0 7.752 -5.005 0.000 0.00 0.00 S+0 HETATM 46 C UNK 0 9.085 -4.235 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 9.085 -2.695 0.000 0.00 0.00 O+0 HETATM 48 P UNK 0 -6.182 -4.542 0.000 0.00 0.00 P+0 HETATM 49 O UNK 0 -7.271 -3.453 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 -7.271 -5.631 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 -5.093 -5.631 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 11.753 -4.235 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 10.419 -6.545 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 13.086 -5.005 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 11.753 -2.695 0.000 0.00 0.00 O+0 CONECT 1 46 52 53 CONECT 2 5 48 CONECT 3 4 7 CONECT 4 3 5 19 CONECT 5 4 6 2 CONECT 6 5 7 8 CONECT 7 6 3 11 CONECT 8 6 CONECT 9 10 17 CONECT 10 9 11 CONECT 11 10 12 7 CONECT 12 11 13 17 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 17 18 CONECT 17 16 9 12 CONECT 18 16 CONECT 19 20 4 CONECT 20 21 19 CONECT 21 22 23 24 20 CONECT 22 21 CONECT 23 21 CONECT 24 25 21 CONECT 25 26 27 28 24 CONECT 26 25 CONECT 27 25 CONECT 28 29 25 CONECT 29 30 28 CONECT 30 29 31 32 33 CONECT 31 30 34 35 CONECT 32 30 CONECT 33 30 CONECT 34 31 CONECT 35 36 37 31 CONECT 36 35 38 CONECT 37 35 CONECT 38 39 36 CONECT 39 38 40 CONECT 40 41 42 39 CONECT 41 40 43 CONECT 42 40 CONECT 43 44 41 CONECT 44 43 45 CONECT 45 46 44 CONECT 46 47 45 1 CONECT 47 46 CONECT 48 49 50 51 2 CONECT 49 48 CONECT 50 48 CONECT 51 48 CONECT 52 1 54 55 CONECT 53 1 CONECT 54 52 CONECT 55 52 MASTER 0 0 0 0 0 0 0 0 55 0 114 0 END