HEADER PROTEIN 29-MAY-13 NONE TITLE NULL COMPND MOLECULE: SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 29-MAY-13 0 HETATM 1 C UNK 0 5.678 -14.389 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 7.000 -15.166 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 8.400 -14.389 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 9.722 -15.166 0.000 0.00 0.00 C+0 HETATM 5 N UNK 0 11.044 -14.389 0.000 0.00 0.00 N+0 HETATM 6 C UNK 0 12.444 -15.166 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 13.767 -14.389 0.000 0.00 0.00 C+0 HETATM 8 N UNK 0 15.089 -15.166 0.000 0.00 0.00 N+0 HETATM 9 C UNK 0 16.489 -14.389 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 17.811 -15.166 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 19.133 -14.389 0.000 0.00 0.00 C+0 HETATM 12 S UNK 0 20.533 -15.166 0.000 0.00 0.00 S+0 HETATM 13 S UNK 0 20.533 -16.722 0.000 0.00 0.00 S+0 HETATM 14 C UNK 0 19.211 -17.500 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 19.211 -19.055 0.000 0.00 0.00 C+0 HETATM 16 N UNK 0 17.889 -19.833 0.000 0.00 0.00 N+0 HETATM 17 C UNK 0 16.489 -19.055 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 15.166 -19.833 0.000 0.00 0.00 C+0 HETATM 19 N UNK 0 13.844 -19.055 0.000 0.00 0.00 N+0 HETATM 20 C UNK 0 12.444 -19.833 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 11.122 -19.055 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 9.800 -19.833 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 16.489 -17.500 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 15.166 -24.344 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 12.444 -21.389 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 9.800 -21.389 0.000 0.00 0.00 C+0 HETATM 27 N UNK 0 11.122 -17.500 0.000 0.00 0.00 N+0 HETATM 28 C UNK 0 9.722 -16.722 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 12.444 -16.489 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 13.767 -12.833 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 16.489 -12.833 0.000 0.00 0.00 O+0 HETATM 32 N UNK 0 17.811 -16.489 0.000 0.00 0.00 N+0 HETATM 33 S UNK 0 15.089 -12.055 0.000 0.00 0.00 S+0 HETATM 34 C UNK 0 20.533 -19.833 0.000 0.00 0.00 C+0 HETATM 35 N UNK 0 21.933 -19.055 0.000 0.00 0.00 N+0 HETATM 36 C UNK 0 23.255 -19.833 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 24.577 -19.055 0.000 0.00 0.00 C+0 HETATM 38 N UNK 0 25.978 -19.833 0.000 0.00 0.00 N+0 HETATM 39 O UNK 0 20.533 -21.389 0.000 0.00 0.00 O+0 HETATM 40 C UNK 0 8.478 -22.166 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 8.478 -23.722 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 9.800 -24.500 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 11.122 -23.722 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 11.122 -22.166 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 9.800 -26.055 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 8.478 -17.500 0.000 0.00 0.00 O+0 HETATM 47 O UNK 0 24.577 -17.500 0.000 0.00 0.00 O+0 HETATM 48 C UNK 0 25.978 -21.389 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 27.455 -21.855 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 28.311 -20.611 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 27.455 -19.366 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 27.922 -17.889 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 29.477 -17.577 0.000 0.00 0.00 O+0 HETATM 54 N UNK 0 26.911 -16.722 0.000 0.00 0.00 N+0 HETATM 55 C UNK 0 26.911 -15.166 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 28.233 -14.389 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 25.589 -14.389 0.000 0.00 0.00 C+0 HETATM 58 O UNK 0 29.555 -15.166 0.000 0.00 0.00 O+0 HETATM 59 N UNK 0 28.233 -12.833 0.000 0.00 0.00 N+0 HETATM 60 C UNK 0 26.911 -12.055 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 25.589 -12.833 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 26.911 -10.500 0.000 0.00 0.00 C+0 HETATM 63 S UNK 0 24.344 -12.055 0.000 0.00 0.00 S+0 HETATM 64 N UNK 0 28.233 -9.722 0.000 0.00 0.00 N+0 HETATM 65 C UNK 0 29.555 -10.500 0.000 0.00 0.00 C+0 HETATM 66 O UNK 0 25.589 -9.722 0.000 0.00 0.00 O+0 HETATM 67 C UNK 0 29.555 -12.055 0.000 0.00 0.00 C+0 HETATM 68 N UNK 0 30.955 -12.833 0.000 0.00 0.00 N+0 HETATM 69 C UNK 0 30.955 -14.389 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 30.877 -9.722 0.000 0.00 0.00 C+0 HETATM 71 O UNK 0 32.200 -10.500 0.000 0.00 0.00 O+0 HETATM 72 C UNK 0 30.877 -8.167 0.000 0.00 0.00 C+0 HETATM 73 S UNK 0 16.489 -25.122 0.000 0.00 0.00 S+0 HETATM 74 S UNK 0 27.844 -25.122 0.000 0.00 0.00 S+0 HETATM 75 C UNK 0 32.277 -15.166 0.000 0.00 0.00 C+0 HETATM 76 N UNK 0 32.277 -22.089 0.000 0.00 0.00 N+0 HETATM 77 O UNK 0 30.955 -11.278 0.000 0.00 0.00 O+0 HETATM 78 C UNK 0 22.633 -21.389 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 23.411 -22.711 0.000 0.00 0.00 C+0 HETATM 80 O UNK 0 24.889 -22.711 0.000 0.00 0.00 O+0 HETATM 81 N UNK 0 22.555 -24.111 0.000 0.00 0.00 N+0 HETATM 82 O UNK 0 33.600 -14.389 0.000 0.00 0.00 O+0 HETATM 83 C UNK 0 30.644 -23.333 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 29.088 -23.333 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 31.422 -24.655 0.000 0.00 0.00 C+0 HETATM 86 N UNK 0 32.977 -24.655 0.000 0.00 0.00 N+0 HETATM 87 C UNK 0 34.300 -25.511 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 35.700 -24.733 0.000 0.00 0.00 C+0 HETATM 89 O UNK 0 30.644 -25.978 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 34.300 -27.066 0.000 0.00 0.00 C+0 HETATM 91 O UNK 0 32.977 -27.844 0.000 0.00 0.00 O+0 HETATM 92 O UNK 0 35.622 -27.844 0.000 0.00 0.00 O+0 HETATM 93 C UNK 0 35.700 -23.177 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 37.022 -22.400 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 37.022 -20.844 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 35.700 -20.066 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 34.300 -20.844 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 34.300 -22.400 0.000 0.00 0.00 C+0 HETATM 99 O UNK 0 35.700 -18.511 0.000 0.00 0.00 O+0 HETATM 100 O UNK 0 4.356 -15.166 0.000 0.00 0.00 O+0 HETATM 101 O UNK 0 5.678 -12.833 0.000 0.00 0.00 O+0 HETATM 102 H UNK 0 29.555 -8.944 0.000 0.00 0.00 H+0 HETATM 103 H UNK 0 29.555 -24.422 0.000 0.00 0.00 H+0 HETATM 104 H UNK 0 16.255 -20.922 0.000 0.00 0.00 H+0 CONECT 1 2 100 101 CONECT 2 1 3 CONECT 3 2 4 CONECT 4 3 5 28 CONECT 5 4 6 CONECT 6 5 7 29 CONECT 7 6 8 30 CONECT 8 7 9 CONECT 9 8 10 31 CONECT 10 9 11 32 CONECT 11 10 12 CONECT 12 11 13 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 16 34 CONECT 16 15 17 CONECT 17 16 18 23 CONECT 18 17 19 24 104 CONECT 19 18 20 CONECT 20 19 21 25 CONECT 21 20 22 27 CONECT 22 21 26 CONECT 23 17 CONECT 24 18 73 CONECT 25 20 CONECT 26 22 40 44 CONECT 27 21 28 CONECT 28 27 4 46 CONECT 29 6 CONECT 30 7 33 CONECT 31 9 CONECT 32 10 CONECT 33 30 63 CONECT 34 15 35 39 CONECT 35 34 36 CONECT 36 35 37 78 CONECT 37 36 38 47 CONECT 38 37 48 51 CONECT 39 34 CONECT 40 26 41 CONECT 41 40 42 CONECT 42 41 43 45 CONECT 43 42 44 CONECT 44 43 26 CONECT 45 42 CONECT 46 28 CONECT 47 37 CONECT 48 38 49 CONECT 49 48 50 CONECT 50 49 51 CONECT 51 50 38 52 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 CONECT 55 54 56 57 CONECT 56 55 58 59 CONECT 57 55 CONECT 58 56 CONECT 59 56 60 CONECT 60 59 61 62 CONECT 61 60 63 CONECT 62 60 64 66 CONECT 63 33 61 CONECT 64 62 65 CONECT 65 64 67 70 102 CONECT 66 62 CONECT 67 65 68 77 CONECT 68 67 69 CONECT 69 68 75 CONECT 70 65 71 72 CONECT 71 70 CONECT 72 70 CONECT 73 24 74 CONECT 74 73 84 CONECT 75 69 76 82 CONECT 76 75 83 CONECT 77 67 CONECT 78 36 79 CONECT 79 78 80 81 CONECT 80 79 CONECT 81 79 CONECT 82 75 CONECT 83 76 84 85 103 CONECT 84 83 74 CONECT 85 83 86 89 CONECT 86 85 87 CONECT 87 86 88 90 CONECT 88 87 93 CONECT 89 85 CONECT 90 87 91 92 CONECT 91 90 CONECT 92 90 CONECT 93 88 94 98 CONECT 94 93 95 CONECT 95 94 96 CONECT 96 95 97 99 CONECT 97 96 98 CONECT 98 97 93 CONECT 99 96 CONECT 100 1 CONECT 101 1 CONECT 102 65 CONECT 103 83 CONECT 104 18 MASTER 0 0 0 0 0 0 0 0 104 0 218 0 END