HEADER PROTEIN 23-FEB-12 NONE TITLE NULL COMPND MOLECULE: 1111 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-12 0 HETATM 1 S UNK 0 18.470 18.721 0.000 0.00 0.00 S+0 HETATM 2 S UNK 0 40.107 11.446 0.000 0.00 0.00 S+0 HETATM 3 S UNK 0 36.414 2.529 0.000 0.00 0.00 S+0 HETATM 4 S UNK 0 13.317 14.916 0.000 0.00 0.00 S+0 HETATM 5 S UNK 0 6.130 11.397 0.000 0.00 0.00 S+0 HETATM 6 O UNK 0 30.862 17.838 0.000 0.00 0.00 O+0 HETATM 7 O UNK 0 34.775 13.648 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 25.129 17.838 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 21.216 13.648 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 34.384 7.928 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 20.635 9.068 0.000 0.00 0.00 O+0 HETATM 12 O UNK 0 27.131 3.209 0.000 0.00 0.00 O+0 HETATM 13 O UNK 0 29.937 4.310 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 14.985 5.445 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 24.257 5.091 0.000 0.00 0.00 O+0 HETATM 16 O UNK 0 15.349 10.767 0.000 0.00 0.00 O+0 HETATM 17 O UNK 0 13.448 5.549 0.000 0.00 0.00 O+0 HETATM 18 O UNK 0 8.162 7.248 0.000 0.00 0.00 O+0 HETATM 19 O UNK 0 17.498 19.915 0.000 0.00 0.00 O-1 HETATM 20 O UNK 0 17.275 17.749 0.000 0.00 0.00 O+0 HETATM 21 O UNK 0 19.665 19.692 0.000 0.00 0.00 O+0 HETATM 22 O UNK 0 41.615 11.133 0.000 0.00 0.00 O-1 HETATM 23 O UNK 0 39.793 9.939 0.000 0.00 0.00 O+0 HETATM 24 O UNK 0 40.420 12.954 0.000 0.00 0.00 O+0 HETATM 25 O UNK 0 37.214 1.214 0.000 0.00 0.00 O-1 HETATM 26 O UNK 0 35.098 1.729 0.000 0.00 0.00 O+0 HETATM 27 O UNK 0 37.730 3.330 0.000 0.00 0.00 O+0 HETATM 28 O UNK 0 12.640 16.300 0.000 0.00 0.00 O-1 HETATM 29 O UNK 0 14.700 15.594 0.000 0.00 0.00 O+0 HETATM 30 O UNK 0 11.934 14.239 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 5.453 12.781 0.000 0.00 0.00 O-1 HETATM 32 O UNK 0 4.747 10.720 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 7.513 12.075 0.000 0.00 0.00 O+0 HETATM 34 N UNK 0 31.565 15.625 0.000 0.00 0.00 N+0 HETATM 35 N UNK 0 27.226 16.841 0.000 0.00 0.00 N+0 HETATM 36 N UNK 0 33.638 11.624 0.000 0.00 0.00 N+0 HETATM 37 N UNK 0 23.376 14.500 0.000 0.00 0.00 N+0 HETATM 38 N UNK 0 20.817 11.730 0.000 0.00 0.00 N+0 HETATM 39 N UNK 0 32.129 7.379 0.000 0.00 0.00 N+0 HETATM 40 N UNK 0 27.996 5.584 0.000 0.00 0.00 N+0 HETATM 41 N UNK 0 17.562 9.279 0.000 0.00 0.00 N+0 HETATM 42 N UNK 0 23.863 7.379 0.000 0.00 0.00 N+0 HETATM 43 N UNK 0 20.962 17.770 0.000 0.00 0.00 N+0 HETATM 44 N UNK 0 37.574 10.611 0.000 0.00 0.00 N+0 HETATM 45 N UNK 0 13.630 8.211 0.000 0.00 0.00 N+0 HETATM 46 N UNK 0 10.375 5.760 0.000 0.00 0.00 N+0 HETATM 47 N UNK 0 34.074 3.810 0.000 0.00 0.00 N+0 HETATM 48 N UNK 0 15.531 13.428 0.000 0.00 0.00 N+0 HETATM 49 N UNK 0 8.344 9.909 0.000 0.00 0.00 N+0 HETATM 50 C UNK 0 28.766 16.841 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 32.616 14.500 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 28.976 18.367 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 33.874 15.388 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 27.759 19.311 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 33.734 16.922 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 30.249 16.426 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 24.427 15.625 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 33.324 13.132 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 33.533 10.088 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 25.743 16.426 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 22.354 11.624 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 23.455 16.820 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 35.040 9.775 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 27.969 20.837 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 26.333 18.730 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 34.992 17.810 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 32.336 17.567 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 22.459 10.088 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 30.934 6.407 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 22.667 13.132 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 33.017 8.637 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 18.422 10.557 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 3.188 2.241 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 21.934 16.575 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 4.047 3.519 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 22.975 8.637 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 36.066 10.924 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 31.734 5.091 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 5.584 3.414 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 26.470 5.793 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 19.958 10.452 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 17.744 11.940 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 6.443 4.692 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 29.522 5.793 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 15.167 8.106 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 1.652 2.346 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 11.235 7.038 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 26.055 4.310 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 25.058 6.407 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 33.274 5.126 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 7.979 4.587 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 3.865 0.858 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 16.026 9.384 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 16.208 12.045 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 15.844 6.723 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 10.557 8.421 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 12.771 6.933 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 8.839 5.865 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 0.792 1.068 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 19.442 17.526 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 9.021 8.526 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 24.563 3.929 0.000 0.00 0.00 C+0 HETATM 103 C UNK 0 38.599 11.760 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 17.380 6.617 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 35.614 3.845 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 13.994 13.533 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 6.807 10.014 0.000 0.00 0.00 C+0 CONECT 1 19 20 21 100 CONECT 2 22 23 24 103 CONECT 3 25 26 27 105 CONECT 4 28 29 30 106 CONECT 5 31 32 33 107 CONECT 6 56 CONECT 7 58 CONECT 8 60 CONECT 9 70 CONECT 10 71 CONECT 11 81 CONECT 12 88 CONECT 13 84 CONECT 14 95 CONECT 15 89 CONECT 16 93 CONECT 17 97 CONECT 18 98 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 22 2 CONECT 23 2 CONECT 24 2 CONECT 25 3 CONECT 26 3 CONECT 27 3 CONECT 28 4 CONECT 29 4 CONECT 30 4 CONECT 31 5 CONECT 32 5 CONECT 33 5 CONECT 34 51 56 CONECT 35 50 60 CONECT 36 58 59 CONECT 37 57 70 CONECT 38 61 81 CONECT 39 69 71 CONECT 40 80 84 CONECT 41 72 93 CONECT 42 76 89 CONECT 43 74 100 CONECT 44 77 103 CONECT 45 85 97 CONECT 46 87 98 CONECT 47 90 105 CONECT 48 94 106 CONECT 49 101 107 CONECT 50 35 52 56 CONECT 51 34 53 58 CONECT 52 50 54 CONECT 53 51 55 CONECT 54 52 64 65 CONECT 55 53 66 67 CONECT 56 6 34 50 CONECT 57 37 60 62 CONECT 58 7 36 51 CONECT 59 36 63 71 CONECT 60 8 35 57 CONECT 61 38 68 70 CONECT 62 57 74 CONECT 63 59 77 CONECT 64 54 CONECT 65 54 CONECT 66 55 CONECT 67 55 CONECT 68 61 76 CONECT 69 39 78 84 CONECT 70 9 37 61 CONECT 71 10 39 59 CONECT 72 41 81 82 CONECT 73 75 86 92 CONECT 74 43 62 CONECT 75 73 79 CONECT 76 42 68 CONECT 77 44 63 CONECT 78 69 90 CONECT 79 75 83 CONECT 80 40 88 89 CONECT 81 11 38 72 CONECT 82 72 94 CONECT 83 79 91 CONECT 84 13 40 69 CONECT 85 45 93 95 CONECT 86 73 99 CONECT 87 46 96 97 CONECT 88 12 80 102 CONECT 89 15 42 80 CONECT 90 47 78 CONECT 91 83 98 CONECT 92 73 CONECT 93 16 41 85 CONECT 94 48 82 CONECT 95 14 85 104 CONECT 96 87 101 CONECT 97 17 45 87 CONECT 98 18 46 91 CONECT 99 86 CONECT 100 1 43 CONECT 101 49 96 CONECT 102 88 CONECT 103 2 44 CONECT 104 95 CONECT 105 3 47 CONECT 106 4 48 CONECT 107 5 49 MASTER 0 0 0 0 0 0 0 0 107 0 214 0 END