HEADER PROTEIN 23-FEB-12 NONE TITLE NULL COMPND MOLECULE: 2638 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-12 0 HETATM 1 S UNK 0 14.317 -1.540 0.000 0.00 0.00 S+0 HETATM 2 S UNK 0 15.651 -0.770 0.000 0.00 0.00 S+0 HETATM 3 O UNK 0 7.285 -0.307 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 8.982 -1.540 0.000 0.00 0.00 O+0 HETATM 5 O UNK 0 4.172 4.291 0.000 0.00 0.00 O+0 HETATM 6 O UNK 0 8.982 -3.080 0.000 0.00 0.00 O+0 HETATM 7 O UNK 0 13.753 -4.056 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 10.316 -8.470 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 16.985 -7.700 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 6.597 9.286 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 20.986 -0.770 0.000 0.00 0.00 O+0 HETATM 12 O UNK 0 22.319 -6.160 0.000 0.00 0.00 O+0 HETATM 13 O UNK 0 11.650 -10.780 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 20.986 0.770 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 27.654 -6.160 0.000 0.00 0.00 O+0 HETATM 16 O UNK 0 19.652 6.160 0.000 0.00 0.00 O+0 HETATM 17 O UNK 0 24.987 7.700 0.000 0.00 0.00 O+0 HETATM 18 N UNK 0 10.316 0.770 0.000 0.00 0.00 N+0 HETATM 19 N UNK 0 6.461 2.230 0.000 0.00 0.00 N+0 HETATM 20 N UNK 0 11.650 -3.080 0.000 0.00 0.00 N+0 HETATM 21 N UNK 0 5.957 6.273 0.000 0.00 0.00 N+0 HETATM 22 N UNK 0 11.650 -6.160 0.000 0.00 0.00 N+0 HETATM 23 N UNK 0 11.816 8.177 0.000 0.00 0.00 N+0 HETATM 24 N UNK 0 15.651 -5.390 0.000 0.00 0.00 N+0 HETATM 25 N UNK 0 19.652 -6.160 0.000 0.00 0.00 N+0 HETATM 26 N UNK 0 19.652 -3.080 0.000 0.00 0.00 N+0 HETATM 27 N UNK 0 18.318 0.770 0.000 0.00 0.00 N+0 HETATM 28 N UNK 0 7.649 -8.470 0.000 0.00 0.00 N+0 HETATM 29 N UNK 0 3.988 9.840 0.000 0.00 0.00 N+0 HETATM 30 N UNK 0 14.317 -10.780 0.000 0.00 0.00 N+0 HETATM 31 N UNK 0 20.986 3.850 0.000 0.00 0.00 N+0 HETATM 32 N UNK 0 22.319 7.700 0.000 0.00 0.00 N+0 HETATM 33 N UNK 0 24.987 10.780 0.000 0.00 0.00 N+0 HETATM 34 C UNK 0 9.070 1.675 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 9.546 3.140 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 11.086 3.140 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 11.562 1.675 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 7.606 1.199 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 10.316 -0.770 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 11.650 -1.540 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 6.781 3.736 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 12.983 -0.770 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 8.246 4.212 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 8.566 5.719 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 5.637 4.767 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 10.316 -3.850 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 10.316 -5.390 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 10.031 6.194 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 8.982 -6.160 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 10.351 7.701 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 14.317 -6.160 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 4.812 7.304 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 12.983 -5.390 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 16.985 -1.540 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 14.317 -7.700 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 8.982 -7.700 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 18.318 -0.770 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 18.318 -5.390 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 16.985 -6.160 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 20.986 -3.850 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 5.133 8.810 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 12.983 -8.470 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 19.652 -1.540 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 18.318 -3.850 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 20.986 -5.390 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 22.319 -3.080 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 17.328 -2.670 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 12.983 -10.010 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 23.653 -3.850 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 19.652 1.540 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 15.812 -2.938 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 17.855 -1.223 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 19.652 3.080 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 24.987 -3.080 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 23.653 -5.390 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 14.822 -1.758 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 16.865 -0.043 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 26.321 -3.850 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 24.987 -6.160 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 15.349 -0.311 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 26.321 -5.390 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 20.986 5.390 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 22.319 6.160 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 23.653 8.470 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 23.653 10.010 0.000 0.00 0.00 C+0 CONECT 1 2 42 CONECT 2 1 54 CONECT 3 38 CONECT 4 39 CONECT 5 45 CONECT 6 46 CONECT 7 53 CONECT 8 56 CONECT 9 59 CONECT 10 61 CONECT 11 63 CONECT 12 65 CONECT 13 68 CONECT 14 70 CONECT 15 81 CONECT 16 82 CONECT 17 84 CONECT 18 34 37 39 CONECT 19 38 41 CONECT 20 40 46 CONECT 21 45 52 CONECT 22 47 53 CONECT 23 50 CONECT 24 51 59 CONECT 25 58 65 CONECT 26 60 63 CONECT 27 57 70 CONECT 28 56 CONECT 29 61 CONECT 30 68 CONECT 31 73 82 CONECT 32 83 84 CONECT 33 85 CONECT 34 18 35 38 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 18 36 CONECT 38 3 19 34 CONECT 39 4 18 40 CONECT 40 20 39 42 CONECT 41 19 43 45 CONECT 42 1 40 CONECT 43 41 44 CONECT 44 43 48 CONECT 45 5 21 41 CONECT 46 6 20 47 CONECT 47 22 46 49 CONECT 48 44 50 CONECT 49 47 56 CONECT 50 23 48 CONECT 51 24 53 55 CONECT 52 21 61 CONECT 53 7 22 51 CONECT 54 2 57 CONECT 55 51 62 CONECT 56 8 28 49 CONECT 57 27 54 63 CONECT 58 25 59 64 CONECT 59 9 24 58 CONECT 60 26 65 66 CONECT 61 10 29 52 CONECT 62 55 68 CONECT 63 11 26 57 CONECT 64 58 67 CONECT 65 12 25 60 CONECT 66 60 69 CONECT 67 64 71 72 CONECT 68 13 30 62 CONECT 69 66 74 75 CONECT 70 14 27 73 CONECT 71 67 76 CONECT 72 67 77 CONECT 73 31 70 CONECT 74 69 78 CONECT 75 69 79 CONECT 76 71 80 CONECT 77 72 80 CONECT 78 74 81 CONECT 79 75 81 CONECT 80 76 77 CONECT 81 15 78 79 CONECT 82 16 31 83 CONECT 83 32 82 CONECT 84 17 32 85 CONECT 85 33 84 MASTER 0 0 0 0 0 0 0 0 85 0 176 0 END