HEADER PROTEIN 23-FEB-12 NONE TITLE NULL COMPND MOLECULE: 166548 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-12 0 HETATM 1 O UNK 0 15.533 5.189 0.000 0.00 0.00 O+0 HETATM 2 O UNK 0 10.611 1.932 0.000 0.00 0.00 O+0 HETATM 3 O UNK 0 15.462 2.687 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 9.818 -5.161 0.000 0.00 0.00 O+0 HETATM 5 O UNK 0 7.676 6.529 0.000 0.00 0.00 O+0 HETATM 6 O UNK 0 16.048 0.499 0.000 0.00 0.00 O+0 HETATM 7 O UNK 0 15.563 -2.852 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 9.574 -2.505 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 13.867 -1.431 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 11.540 2.318 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 6.343 1.138 0.000 0.00 0.00 O+0 HETATM 12 O UNK 0 13.473 -7.091 0.000 0.00 0.00 O+0 HETATM 13 O UNK 0 10.463 4.945 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 9.472 -3.808 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 12.582 0.701 0.000 0.00 0.00 O+0 HETATM 16 O UNK 0 3.406 4.835 0.000 0.00 0.00 O+0 HETATM 17 O UNK 0 29.185 1.160 0.000 0.00 0.00 O+0 HETATM 18 N UNK 0 11.677 4.219 0.000 0.00 0.00 N+0 HETATM 19 N UNK 0 13.011 -1.172 0.000 0.00 0.00 N+0 HETATM 20 N UNK 0 13.536 0.999 0.000 0.00 0.00 N+0 HETATM 21 N UNK 0 7.676 3.448 0.000 0.00 0.00 N+0 HETATM 22 N UNK 0 9.010 -0.402 0.000 0.00 0.00 N+0 HETATM 23 N UNK 0 11.358 -4.897 0.000 0.00 0.00 N+0 HETATM 24 N UNK 0 12.447 -0.833 0.000 0.00 0.00 N+0 HETATM 25 C UNK 0 13.031 6.295 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 13.995 5.106 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 13.165 3.820 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 11.601 5.747 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 13.430 7.783 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 10.344 3.448 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 13.935 2.486 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 9.010 4.219 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 11.677 -0.402 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 9.755 -1.676 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 10.589 -3.827 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 12.868 -3.474 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 9.010 5.759 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 14.625 -0.090 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 9.010 1.138 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 10.344 -1.172 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 13.011 -2.712 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 14.625 -1.630 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 7.676 1.908 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 12.846 -4.498 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 10.000 2.318 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 13.536 -2.719 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 9.780 7.092 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 12.049 -2.321 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 13.908 -5.614 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 9.473 3.765 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 10.960 -3.410 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 15.405 -5.251 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 7.956 4.033 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 13.843 -0.182 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 7.430 5.480 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 6.967 2.853 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 15.377 -0.048 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 5.913 5.747 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 5.450 3.121 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 4.923 4.568 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 16.028 1.348 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 16.261 -1.309 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 17.562 1.482 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 17.795 -1.175 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 18.446 0.220 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 19.980 0.355 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 20.631 1.750 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 20.863 -0.907 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 22.165 1.885 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 22.397 -0.773 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 23.048 0.623 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 24.582 0.757 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 25.465 -0.504 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 25.233 2.153 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 27.000 -0.370 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 26.767 2.287 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 27.651 1.026 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 31.602 0.033 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 30.068 -0.102 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 32.486 -1.229 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 34.020 -1.095 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 34.903 -2.356 0.000 0.00 0.00 C+0 HETATM 83 H UNK 0 14.473 3.787 0.000 0.00 0.00 H+0 HETATM 84 H UNK 0 7.876 4.873 0.000 0.00 0.00 H+0 HETATM 85 H UNK 0 11.677 0.908 0.000 0.00 0.00 H+0 HETATM 86 H UNK 0 10.240 0.691 0.000 0.00 0.00 H+0 HETATM 87 H UNK 0 12.492 -5.759 0.000 0.00 0.00 H+0 CONECT 1 26 CONECT 2 30 CONECT 3 31 CONECT 4 35 CONECT 5 37 CONECT 6 38 CONECT 7 42 CONECT 8 40 CONECT 9 41 CONECT 10 45 CONECT 11 43 CONECT 12 49 CONECT 13 50 CONECT 14 51 CONECT 15 54 CONECT 16 60 CONECT 17 77 79 CONECT 18 27 28 30 CONECT 19 33 36 41 CONECT 20 31 38 CONECT 21 32 43 CONECT 22 39 40 CONECT 23 44 51 CONECT 24 48 54 CONECT 25 26 28 29 CONECT 26 1 25 27 CONECT 27 18 26 31 83 CONECT 28 18 25 CONECT 29 25 CONECT 30 2 18 32 CONECT 31 3 20 27 CONECT 32 21 30 37 84 CONECT 33 19 34 40 85 CONECT 34 33 35 CONECT 35 4 34 36 CONECT 36 19 35 CONECT 37 5 32 47 CONECT 38 6 20 42 CONECT 39 22 43 45 86 CONECT 40 8 22 33 CONECT 41 9 19 44 CONECT 42 7 38 46 CONECT 43 11 21 39 CONECT 44 23 41 49 87 CONECT 45 10 39 50 CONECT 46 42 48 CONECT 47 37 CONECT 48 24 46 51 CONECT 49 12 44 52 CONECT 50 13 45 53 CONECT 51 14 23 48 CONECT 52 49 CONECT 53 50 55 56 CONECT 54 15 24 57 CONECT 55 53 58 CONECT 56 53 59 CONECT 57 54 61 62 CONECT 58 55 60 CONECT 59 56 60 CONECT 60 16 58 59 CONECT 61 57 63 CONECT 62 57 64 CONECT 63 61 65 CONECT 64 62 65 CONECT 65 63 64 66 CONECT 66 65 67 68 CONECT 67 66 69 CONECT 68 66 70 CONECT 69 67 71 CONECT 70 68 71 CONECT 71 69 70 72 CONECT 72 71 73 74 CONECT 73 72 75 CONECT 74 72 76 CONECT 75 73 77 CONECT 76 74 77 CONECT 77 17 75 76 CONECT 78 79 80 CONECT 79 17 78 CONECT 80 78 81 CONECT 81 80 82 CONECT 82 81 CONECT 83 27 CONECT 84 32 CONECT 85 33 CONECT 86 39 CONECT 87 44 MASTER 0 0 0 0 0 0 0 0 87 0 186 0 END