HEADER PROTEIN 23-FEB-12 NONE TITLE NULL COMPND MOLECULE: SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-12 0 HETATM 1 C UNK 0 32.223 -32.145 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 33.377 -32.853 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 32.150 -30.673 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 29.555 -32.173 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 34.708 -32.164 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 33.406 -34.372 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 30.858 -29.909 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 33.425 -29.927 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 32.150 -29.116 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 29.565 -30.654 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 35.991 -32.909 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 34.717 -30.673 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 34.689 -35.136 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 32.056 -35.136 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 30.894 -28.361 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 36.036 -34.391 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 37.284 -32.173 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 35.991 -31.362 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 29.482 -27.587 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 37.265 -35.155 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 38.577 -32.919 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 28.133 -28.351 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 38.568 -34.400 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 26.802 -27.568 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 39.898 -35.183 0.000 0.00 0.00 O+0 HETATM 26 S UNK 0 25.462 -28.342 0.000 0.00 0.00 S+0 HETATM 27 O UNK 0 26.783 -26.124 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 24.132 -27.568 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 22.791 -28.342 0.000 0.00 0.00 C+0 HETATM 30 N UNK 0 21.452 -27.568 0.000 0.00 0.00 N+0 HETATM 31 C UNK 0 20.111 -28.342 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 18.781 -27.568 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 20.111 -29.880 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 17.441 -28.342 0.000 0.00 0.00 C+0 HETATM 35 N UNK 0 16.101 -27.568 0.000 0.00 0.00 N+0 HETATM 36 C UNK 0 14.761 -28.342 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 13.430 -27.568 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 14.770 -29.890 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 12.090 -28.342 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 13.430 -26.021 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 10.750 -27.568 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 12.072 -29.710 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 12.117 -26.747 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 9.420 -28.342 0.000 0.00 0.00 O+0 HETATM 45 P UNK 0 7.816 -28.316 0.000 0.00 0.00 P+0 HETATM 46 O UNK 0 7.806 -25.219 0.000 0.00 0.00 O+0 HETATM 47 O UNK 0 7.787 -30.147 0.000 0.00 0.00 O+0 HETATM 48 O UNK 0 6.259 -28.287 0.000 0.00 0.00 O+0 HETATM 49 P UNK 0 7.806 -21.953 0.000 0.00 0.00 P+0 HETATM 50 O UNK 0 10.269 -21.925 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 7.816 -20.387 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 6.249 -21.925 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 12.383 -20.925 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 13.827 -21.378 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 14.318 -22.850 0.000 0.00 0.00 C+0 HETATM 56 O UNK 0 15.082 -20.481 0.000 0.00 0.00 O+0 HETATM 57 C UNK 0 15.893 -22.850 0.000 0.00 0.00 C+0 HETATM 58 O UNK 0 13.525 -23.963 0.000 0.00 0.00 O+0 HETATM 59 C UNK 0 16.365 -21.406 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 16.799 -24.105 0.000 0.00 0.00 O+0 HETATM 61 P UNK 0 11.883 -23.954 0.000 0.00 0.00 P+0 HETATM 62 N UNK 0 16.997 -18.717 0.000 0.00 0.00 N+0 HETATM 63 O UNK 0 11.815 -22.482 0.000 0.00 0.00 O+0 HETATM 64 O UNK 0 10.373 -23.992 0.000 0.00 0.00 O+0 HETATM 65 O UNK 0 11.873 -25.502 0.000 0.00 0.00 O+0 HETATM 66 C UNK 0 14.299 -18.717 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 17.007 -17.160 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 14.299 -17.160 0.000 0.00 0.00 C+0 HETATM 69 N UNK 0 12.949 -19.510 0.000 0.00 0.00 N+0 HETATM 70 N UNK 0 15.657 -16.367 0.000 0.00 0.00 N+0 HETATM 71 C UNK 0 12.949 -16.386 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 11.609 -18.717 0.000 0.00 0.00 C+0 HETATM 73 N UNK 0 11.609 -17.160 0.000 0.00 0.00 N+0 HETATM 74 N UNK 0 12.940 -14.839 0.000 0.00 0.00 N+0 HETATM 75 H UNK 0 32.150 -33.683 0.000 0.00 0.00 H+0 HETATM 76 H UNK 0 34.708 -33.702 0.000 0.00 0.00 H+0 HETATM 77 H UNK 0 29.443 -29.092 0.000 0.00 0.00 H+0 HETATM 78 H UNK 0 33.377 -31.219 0.000 0.00 0.00 H+0 HETATM 79 H UNK 0 36.036 -36.025 0.000 0.00 0.00 H+0 HETATM 80 C UNK 0 32.304 -27.548 0.000 0.00 0.00 C+0 CONECT 1 2 3 4 75 CONECT 2 1 5 6 78 CONECT 3 1 7 8 9 CONECT 4 1 10 CONECT 5 2 11 12 76 CONECT 6 2 13 14 CONECT 7 3 15 10 77 CONECT 8 3 12 CONECT 9 3 CONECT 10 4 7 CONECT 11 5 16 17 18 CONECT 12 5 8 CONECT 13 6 16 CONECT 14 6 CONECT 15 7 19 80 CONECT 16 11 20 13 79 CONECT 17 11 21 CONECT 18 11 CONECT 19 15 22 CONECT 20 16 23 CONECT 21 17 23 CONECT 22 19 24 CONECT 23 20 25 21 CONECT 24 22 26 27 CONECT 25 23 CONECT 26 24 28 CONECT 27 24 CONECT 28 26 29 CONECT 29 28 30 CONECT 30 29 31 CONECT 31 30 32 33 CONECT 32 31 34 CONECT 33 31 CONECT 34 32 35 CONECT 35 34 36 CONECT 36 35 37 38 CONECT 37 36 39 40 CONECT 38 36 CONECT 39 37 41 42 43 CONECT 40 37 CONECT 41 39 44 CONECT 42 39 CONECT 43 39 CONECT 44 41 45 CONECT 45 44 46 47 48 CONECT 46 45 49 CONECT 47 45 CONECT 48 45 CONECT 49 46 50 51 52 CONECT 50 49 53 CONECT 51 49 CONECT 52 49 CONECT 53 50 54 CONECT 54 53 55 56 CONECT 55 54 57 58 CONECT 56 54 59 CONECT 57 55 60 59 CONECT 58 55 61 CONECT 59 56 62 57 CONECT 60 57 CONECT 61 58 63 64 65 CONECT 62 59 66 67 CONECT 63 61 CONECT 64 61 CONECT 65 61 CONECT 66 62 68 69 CONECT 67 62 70 CONECT 68 66 71 70 CONECT 69 66 72 CONECT 70 67 68 CONECT 71 68 73 74 CONECT 72 69 73 CONECT 73 71 72 CONECT 74 71 CONECT 75 1 CONECT 76 5 CONECT 77 7 CONECT 78 2 CONECT 79 16 CONECT 80 15 MASTER 0 0 0 0 0 0 0 0 80 0 172 0 END