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 n 1 24.029 -20.817 0.000 0.00 0.00 C+0 HETATM 2 C n 1 25.369 -21.591 0.000 0.00 0.00 C+0 HETATM 3 C n 1 24.029 -19.277 0.000 0.00 0.00 C+0 HETATM 4 O n 1 22.123 -21.932 0.000 0.00 0.00 O+0 HETATM 5 C n 1 26.692 -20.817 0.000 0.00 0.00 C+0 HETATM 6 O n 1 25.369 -23.131 0.000 0.00 0.00 O+0 HETATM 7 O n 1 25.369 -18.512 0.000 0.00 0.00 O+0 HETATM 8 C n 1 22.689 -18.512 0.000 0.00 0.00 C+0 HETATM 9 C n 1 20.217 -23.023 0.000 0.00 0.00 C+0 HETATM 10 C n 1 26.692 -19.277 0.000 0.00 0.00 C+0 HETATM 11 N n 1 27.949 -22.248 0.000 0.00 0.00 N+0 HETATM 12 O n 1 21.357 -19.277 0.000 0.00 0.00 O+0 HETATM 13 C n 1 20.217 -24.562 0.000 0.00 0.00 C+0 HETATM 14 O n 1 18.886 -22.257 0.000 0.00 0.00 O+0 HETATM 15 O n 1 28.597 -18.187 0.000 0.00 0.00 O+0 HETATM 16 S n 1 30.228 -22.239 0.000 0.00 0.00 S+0 HETATM 17 C n 1 18.886 -25.336 0.000 0.00 0.00 C+0 HETATM 18 O n 1 21.968 -26.403 0.000 0.00 0.00 O+0 HETATM 19 C n 1 17.546 -23.023 0.000 0.00 0.00 C+0 HETATM 20 C n 1 30.503 -17.081 0.000 0.00 0.00 C+0 HETATM 21 O n 1 30.219 -23.779 0.000 0.00 0.00 O+0 HETATM 22 O n 1 30.219 -20.700 0.000 0.00 0.00 O+0 HETATM 23 O n 1 31.775 -22.239 0.000 0.00 0.00 O+0 HETATM 24 C n 1 17.546 -24.562 0.000 0.00 0.00 C+0 HETATM 25 O n 1 18.886 -26.875 0.000 0.00 0.00 O+0 HETATM 26 C n 1 16.215 -22.257 0.000 0.00 0.00 C+0 HETATM 27 C n 1 30.503 -15.541 0.000 0.00 0.00 C+0 HETATM 28 C n 1 31.843 -17.855 0.000 0.00 0.00 C+0 HETATM 29 O n 1 16.206 -25.327 0.000 0.00 0.00 O+0 HETATM 30 O n 1 14.883 -23.023 0.000 0.00 0.00 O+0 HETATM 31 O n 1 16.215 -20.717 0.000 0.00 0.00 O+0 HETATM 32 O n 1 31.843 -14.775 0.000 0.00 0.00 O+0 HETATM 33 C n 1 29.172 -14.775 0.000 0.00 0.00 C+0 HETATM 34 C n 1 33.174 -17.081 0.000 0.00 0.00 C+0 HETATM 35 O n 1 31.843 -19.403 0.000 0.00 0.00 O+0 HETATM 36 * UNK 0 12.903 -25.311 0.000 0.00 0.00 *+0 HETATM 37 C n 1 33.174 -15.541 0.000 0.00 0.00 C+0 HETATM 38 O n 1 27.832 -15.541 0.000 0.00 0.00 O+0 HETATM 39 O n 1 29.172 -13.236 0.000 0.00 0.00 O+0 HETATM 40 O n 1 36.065 -18.758 0.000 0.00 0.00 O+0 HETATM 41 O n 1 35.088 -14.434 0.000 0.00 0.00 O+0 HETATM 42 C n 1 36.986 -13.336 0.000 0.00 0.00 C+0 HETATM 43 C n 1 36.986 -11.796 0.000 0.00 0.00 C+0 HETATM 44 C n 1 38.325 -14.110 0.000 0.00 0.00 C+0 HETATM 45 O n 1 38.325 -11.031 0.000 0.00 0.00 O+0 HETATM 46 C n 1 35.654 -11.031 0.000 0.00 0.00 C+0 HETATM 47 C n 1 39.657 -13.336 0.000 0.00 0.00 C+0 HETATM 48 O n 1 38.325 -15.658 0.000 0.00 0.00 O+0 HETATM 49 C n 1 39.657 -11.796 0.000 0.00 0.00 C+0 HETATM 50 O n 1 34.106 -11.014 0.000 0.00 0.00 O+0 HETATM 51 N n 1 42.056 -14.438 0.000 0.00 0.00 N+0 HETATM 52 * UNK 0 42.528 -10.149 0.000 0.00 0.00 *+0 HETATM 53 S n 1 32.567 -11.006 0.000 0.00 0.00 S+0 HETATM 54 C n 1 42.064 -15.986 0.000 0.00 0.00 C+0 HETATM 55 O n 1 32.559 -12.545 0.000 0.00 0.00 O+0 HETATM 56 O n 1 32.559 -9.466 0.000 0.00 0.00 O+0 HETATM 57 O n 1 31.027 -10.997 0.000 0.00 0.00 O+0 HETATM 58 C n 1 43.395 -16.752 0.000 0.00 0.00 C+0 HETATM 59 O n 1 40.724 -16.752 0.000 0.00 0.00 O+0 HETATM 60 S n 1 21.968 -28.045 0.000 0.00 0.00 S+0 HETATM 61 O n 1 21.968 -29.686 0.000 0.00 0.00 O+0 HETATM 62 O n 1 23.640 -28.044 0.000 0.00 0.00 O+0 HETATM 63 O n 1 20.357 -28.045 0.000 0.00 0.00 O+0 HETATM 64 S n 1 25.369 -24.772 0.000 0.00 0.00 S+0 HETATM 65 O n 1 25.369 -26.414 0.000 0.00 0.00 O+0 HETATM 66 O n 1 27.005 -24.772 0.000 0.00 0.00 O+0 HETATM 67 O n 1 23.722 -24.772 0.000 0.00 0.00 O+0 HETATM 68 S n 1 36.065 -20.399 0.000 0.00 0.00 S+0 HETATM 69 O n 1 36.065 -22.041 0.000 0.00 0.00 O+0 HETATM 70 O n 1 37.676 -20.400 0.000 0.00 0.00 O+0 HETATM 71 O n 1 34.394 -20.399 0.000 0.00 0.00 O+0 CONECT 1 2 3 4 CONECT 2 1 5 6 CONECT 3 1 7 8 CONECT 4 1 9 CONECT 5 2 10 11 CONECT 6 2 64 CONECT 7 3 10 CONECT 8 3 12 CONECT 9 4 13 14 CONECT 10 5 15 7 CONECT 11 5 16 CONECT 12 8 CONECT 13 9 17 18 CONECT 14 9 19 CONECT 15 10 20 CONECT 16 11 21 22 23 CONECT 17 13 24 25 CONECT 18 13 60 CONECT 19 14 26 24 CONECT 20 15 27 28 CONECT 21 16 CONECT 22 16 CONECT 23 16 CONECT 24 17 29 19 CONECT 25 17 CONECT 26 19 30 31 CONECT 27 20 32 33 CONECT 28 20 34 35 CONECT 29 24 36 CONECT 30 26 CONECT 31 26 CONECT 32 27 37 CONECT 33 27 38 39 CONECT 34 28 40 37 CONECT 35 28 CONECT 36 29 CONECT 37 32 41 34 CONECT 38 33 CONECT 39 33 CONECT 40 34 68 CONECT 41 37 42 CONECT 42 41 43 44 CONECT 43 42 45 46 CONECT 44 42 47 48 CONECT 45 43 49 CONECT 46 43 50 CONECT 47 44 51 49 CONECT 48 44 CONECT 49 45 52 47 CONECT 50 46 53 CONECT 51 47 54 CONECT 52 49 CONECT 53 50 55 56 57 CONECT 54 51 58 59 CONECT 55 53 CONECT 56 53 CONECT 57 53 CONECT 58 54 CONECT 59 54 CONECT 60 18 61 62 63 CONECT 61 60 CONECT 62 60 CONECT 63 60 CONECT 64 6 65 66 67 CONECT 65 64 CONECT 66 64 CONECT 67 64 CONECT 68 40 69 70 71 CONECT 69 68 CONECT 70 68 CONECT 71 68 MASTER 0 0 0 0 0 0 0 0 71 0 148 0 END