COMPND HMDB0032117 HETATM 1 C1 UNL 1 5.934 1.988 -2.240 1.00 0.00 C HETATM 2 C2 UNL 1 6.625 0.708 -1.996 1.00 0.00 C HETATM 3 C3 UNL 1 7.751 0.304 -2.856 1.00 0.00 C HETATM 4 C4 UNL 1 6.232 -0.066 -1.013 1.00 0.00 C HETATM 5 C5 UNL 1 5.088 0.283 -0.094 1.00 0.00 C HETATM 6 C6 UNL 1 4.014 -0.728 -0.139 1.00 0.00 C HETATM 7 C7 UNL 1 2.823 -0.441 0.792 1.00 0.00 C HETATM 8 C8 UNL 1 3.335 -0.412 2.174 1.00 0.00 C HETATM 9 C9 UNL 1 2.232 0.850 0.306 1.00 0.00 C HETATM 10 C10 UNL 1 0.878 1.191 0.727 1.00 0.00 C HETATM 11 C11 UNL 1 -0.024 0.076 1.256 1.00 0.00 C HETATM 12 C12 UNL 1 -0.125 0.330 2.756 1.00 0.00 C HETATM 13 C13 UNL 1 -1.357 0.418 0.675 1.00 0.00 C HETATM 14 C14 UNL 1 -1.897 1.736 1.241 1.00 0.00 C HETATM 15 C15 UNL 1 -2.738 2.367 0.111 1.00 0.00 C HETATM 16 C16 UNL 1 -2.961 1.330 -0.895 1.00 0.00 C HETATM 17 C17 UNL 1 -2.737 1.519 -2.165 1.00 0.00 C HETATM 18 C18 UNL 1 -2.229 2.819 -2.719 1.00 0.00 C HETATM 19 C19 UNL 1 -2.974 0.426 -3.179 1.00 0.00 C HETATM 20 C20 UNL 1 -3.470 -0.015 -0.413 1.00 0.00 C HETATM 21 C21 UNL 1 -4.843 0.242 0.030 1.00 0.00 C HETATM 22 C22 UNL 1 -5.760 -0.802 0.509 1.00 0.00 C HETATM 23 C23 UNL 1 -6.097 -1.903 -0.470 1.00 0.00 C HETATM 24 O1 UNL 1 -5.019 -2.637 -0.911 1.00 0.00 O HETATM 25 C24 UNL 1 -2.469 -0.552 0.626 1.00 0.00 C HETATM 26 C25 UNL 1 -3.135 -0.850 1.906 1.00 0.00 C HETATM 27 C26 UNL 1 -1.889 -1.874 0.099 1.00 0.00 C HETATM 28 C27 UNL 1 -0.444 -1.790 -0.243 1.00 0.00 C HETATM 29 C28 UNL 1 0.419 -1.282 0.931 1.00 0.00 C HETATM 30 C29 UNL 1 0.222 -2.335 2.010 1.00 0.00 C HETATM 31 C30 UNL 1 1.823 -1.486 0.451 1.00 0.00 C HETATM 32 H1 UNL 1 4.881 1.772 -2.490 1.00 0.00 H HETATM 33 H2 UNL 1 5.910 2.628 -1.306 1.00 0.00 H HETATM 34 H3 UNL 1 6.411 2.581 -3.051 1.00 0.00 H HETATM 35 H4 UNL 1 7.671 0.837 -3.827 1.00 0.00 H HETATM 36 H5 UNL 1 7.723 -0.806 -3.027 1.00 0.00 H HETATM 37 H6 UNL 1 8.728 0.581 -2.389 1.00 0.00 H HETATM 38 H7 UNL 1 6.773 -1.007 -0.865 1.00 0.00 H HETATM 39 H8 UNL 1 5.524 0.556 0.850 1.00 0.00 H HETATM 40 H9 UNL 1 4.646 1.227 -0.537 1.00 0.00 H HETATM 41 H10 UNL 1 4.392 -1.737 0.146 1.00 0.00 H HETATM 42 H11 UNL 1 3.573 -0.833 -1.148 1.00 0.00 H HETATM 43 H12 UNL 1 3.057 -1.375 2.689 1.00 0.00 H HETATM 44 H13 UNL 1 3.078 0.469 2.784 1.00 0.00 H HETATM 45 H14 UNL 1 4.445 -0.438 2.179 1.00 0.00 H HETATM 46 H15 UNL 1 2.956 1.672 0.590 1.00 0.00 H HETATM 47 H16 UNL 1 2.335 0.830 -0.819 1.00 0.00 H HETATM 48 H17 UNL 1 0.936 2.039 1.476 1.00 0.00 H HETATM 49 H18 UNL 1 0.400 1.739 -0.147 1.00 0.00 H HETATM 50 H19 UNL 1 0.788 0.936 3.057 1.00 0.00 H HETATM 51 H20 UNL 1 -0.962 1.025 3.016 1.00 0.00 H HETATM 52 H21 UNL 1 -0.072 -0.567 3.371 1.00 0.00 H HETATM 53 H22 UNL 1 -1.135 0.664 -0.411 1.00 0.00 H HETATM 54 H23 UNL 1 -1.116 2.415 1.577 1.00 0.00 H HETATM 55 H24 UNL 1 -2.621 1.590 2.057 1.00 0.00 H HETATM 56 H25 UNL 1 -2.150 3.230 -0.276 1.00 0.00 H HETATM 57 H26 UNL 1 -3.690 2.788 0.494 1.00 0.00 H HETATM 58 H27 UNL 1 -2.340 2.859 -3.803 1.00 0.00 H HETATM 59 H28 UNL 1 -2.671 3.690 -2.180 1.00 0.00 H HETATM 60 H29 UNL 1 -1.139 2.826 -2.477 1.00 0.00 H HETATM 61 H30 UNL 1 -2.776 0.780 -4.204 1.00 0.00 H HETATM 62 H31 UNL 1 -4.041 0.130 -3.073 1.00 0.00 H HETATM 63 H32 UNL 1 -2.288 -0.421 -2.981 1.00 0.00 H HETATM 64 H33 UNL 1 -3.387 -0.678 -1.299 1.00 0.00 H HETATM 65 H34 UNL 1 -4.888 1.073 0.826 1.00 0.00 H HETATM 66 H35 UNL 1 -5.425 0.781 -0.798 1.00 0.00 H HETATM 67 H36 UNL 1 -5.572 -1.291 1.471 1.00 0.00 H HETATM 68 H37 UNL 1 -6.809 -0.340 0.708 1.00 0.00 H HETATM 69 H38 UNL 1 -6.753 -1.538 -1.293 1.00 0.00 H HETATM 70 H39 UNL 1 -6.749 -2.626 0.102 1.00 0.00 H HETATM 71 H40 UNL 1 -5.245 -3.601 -0.982 1.00 0.00 H HETATM 72 H41 UNL 1 -3.841 -0.110 2.277 1.00 0.00 H HETATM 73 H42 UNL 1 -2.326 -0.851 2.726 1.00 0.00 H HETATM 74 H43 UNL 1 -3.435 -1.910 1.937 1.00 0.00 H HETATM 75 H44 UNL 1 -2.109 -2.733 0.727 1.00 0.00 H HETATM 76 H45 UNL 1 -2.405 -2.087 -0.882 1.00 0.00 H HETATM 77 H46 UNL 1 -0.214 -1.217 -1.155 1.00 0.00 H HETATM 78 H47 UNL 1 -0.096 -2.829 -0.436 1.00 0.00 H HETATM 79 H48 UNL 1 -0.809 -2.569 2.245 1.00 0.00 H HETATM 80 H49 UNL 1 0.882 -2.232 2.873 1.00 0.00 H HETATM 81 H50 UNL 1 0.605 -3.285 1.507 1.00 0.00 H HETATM 82 H51 UNL 1 1.872 -1.594 -0.679 1.00 0.00 H HETATM 83 H52 UNL 1 2.274 -2.458 0.792 1.00 0.00 H CONECT 1 2 32 33 34 CONECT 2 3 4 4 CONECT 3 35 36 37 CONECT 4 5 38 CONECT 5 6 39 40 CONECT 6 7 41 42 CONECT 7 8 9 31 CONECT 8 43 44 45 CONECT 9 10 46 47 CONECT 10 11 48 49 CONECT 11 12 13 29 CONECT 12 50 51 52 CONECT 13 14 25 53 CONECT 14 15 54 55 CONECT 15 16 56 57 CONECT 16 17 17 20 CONECT 17 18 19 CONECT 18 58 59 60 CONECT 19 61 62 63 CONECT 20 21 25 64 CONECT 21 22 65 66 CONECT 22 23 67 68 CONECT 23 24 69 70 CONECT 24 71 CONECT 25 26 27 CONECT 26 72 73 74 CONECT 27 28 75 76 CONECT 28 29 77 78 CONECT 29 30 31 CONECT 30 79 80 81 CONECT 31 82 83 END