COMPND HMDB0005788 HETATM 1 O1 UNL 1 3.693 -2.448 1.301 1.00 0.00 O HETATM 2 C1 UNL 1 2.629 -1.848 1.089 1.00 0.00 C HETATM 3 C2 UNL 1 2.733 -0.443 0.975 1.00 0.00 C HETATM 4 C3 UNL 1 1.812 0.434 0.434 1.00 0.00 C HETATM 5 C4 UNL 1 2.275 1.610 -0.310 1.00 0.00 C HETATM 6 O2 UNL 1 3.415 2.240 0.243 1.00 0.00 O HETATM 7 C5 UNL 1 4.679 1.669 -0.017 1.00 0.00 C HETATM 8 C6 UNL 1 5.734 2.028 0.846 1.00 0.00 C HETATM 9 C7 UNL 1 6.985 1.496 0.633 1.00 0.00 C HETATM 10 O3 UNL 1 8.071 1.809 1.448 1.00 0.00 O HETATM 11 C8 UNL 1 7.135 0.635 -0.422 1.00 0.00 C HETATM 12 C9 UNL 1 6.120 0.286 -1.258 1.00 0.00 C HETATM 13 O4 UNL 1 6.281 -0.592 -2.332 1.00 0.00 O HETATM 14 C10 UNL 1 4.829 0.810 -1.067 1.00 0.00 C HETATM 15 C11 UNL 1 3.727 0.377 -1.956 1.00 0.00 C HETATM 16 C12 UNL 1 2.508 1.235 -1.757 1.00 0.00 C HETATM 17 O5 UNL 1 1.373 0.485 -2.137 1.00 0.00 O HETATM 18 C13 UNL 1 0.428 0.265 0.556 1.00 0.00 C HETATM 19 C14 UNL 1 -0.340 -0.910 0.594 1.00 0.00 C HETATM 20 C15 UNL 1 -1.702 -0.594 0.483 1.00 0.00 C HETATM 21 C16 UNL 1 -2.060 0.760 0.107 1.00 0.00 C HETATM 22 O6 UNL 1 -3.058 0.413 -0.976 1.00 0.00 O HETATM 23 C17 UNL 1 -4.385 0.501 -0.875 1.00 0.00 C HETATM 24 C18 UNL 1 -5.213 0.433 -2.014 1.00 0.00 C HETATM 25 C19 UNL 1 -6.571 0.526 -1.914 1.00 0.00 C HETATM 26 O7 UNL 1 -7.399 0.461 -3.053 1.00 0.00 O HETATM 27 C20 UNL 1 -7.178 0.692 -0.663 1.00 0.00 C HETATM 28 C21 UNL 1 -6.393 0.766 0.504 1.00 0.00 C HETATM 29 O8 UNL 1 -7.030 0.925 1.713 1.00 0.00 O HETATM 30 C22 UNL 1 -5.056 0.670 0.340 1.00 0.00 C HETATM 31 C23 UNL 1 -4.122 0.800 1.493 1.00 0.00 C HETATM 32 C24 UNL 1 -2.950 1.580 0.933 1.00 0.00 C HETATM 33 O9 UNL 1 -2.382 2.254 1.997 1.00 0.00 O HETATM 34 C25 UNL 1 -2.525 -1.705 0.600 1.00 0.00 C HETATM 35 C26 UNL 1 -2.061 -2.994 0.805 1.00 0.00 C HETATM 36 O10 UNL 1 -2.956 -4.048 0.913 1.00 0.00 O HETATM 37 C27 UNL 1 -0.728 -3.235 0.901 1.00 0.00 C HETATM 38 O11 UNL 1 -0.294 -4.531 1.107 1.00 0.00 O HETATM 39 C28 UNL 1 0.157 -2.173 0.793 1.00 0.00 C HETATM 40 C29 UNL 1 1.474 -2.597 0.985 1.00 0.00 C HETATM 41 O12 UNL 1 1.594 -3.955 1.084 1.00 0.00 O HETATM 42 H1 UNL 1 3.611 0.005 1.365 1.00 0.00 H HETATM 43 H2 UNL 1 1.460 2.387 -0.347 1.00 0.00 H HETATM 44 H3 UNL 1 5.539 2.709 1.659 1.00 0.00 H HETATM 45 H4 UNL 1 8.631 2.624 1.133 1.00 0.00 H HETATM 46 H5 UNL 1 8.112 0.200 -0.613 1.00 0.00 H HETATM 47 H6 UNL 1 7.203 -0.967 -2.482 1.00 0.00 H HETATM 48 H7 UNL 1 3.435 -0.689 -1.707 1.00 0.00 H HETATM 49 H8 UNL 1 3.994 0.395 -3.040 1.00 0.00 H HETATM 50 H9 UNL 1 2.548 2.150 -2.399 1.00 0.00 H HETATM 51 H10 UNL 1 1.679 -0.451 -2.278 1.00 0.00 H HETATM 52 H11 UNL 1 -0.132 1.138 0.660 1.00 0.00 H HETATM 53 H12 UNL 1 -1.414 1.308 -0.605 1.00 0.00 H HETATM 54 H13 UNL 1 -4.737 0.301 -2.959 1.00 0.00 H HETATM 55 H14 UNL 1 -7.604 1.379 -3.496 1.00 0.00 H HETATM 56 H15 UNL 1 -8.235 0.763 -0.620 1.00 0.00 H HETATM 57 H16 UNL 1 -6.504 0.967 2.560 1.00 0.00 H HETATM 58 H17 UNL 1 -4.641 1.466 2.248 1.00 0.00 H HETATM 59 H18 UNL 1 -3.876 -0.101 2.030 1.00 0.00 H HETATM 60 H19 UNL 1 -3.393 2.386 0.277 1.00 0.00 H HETATM 61 H20 UNL 1 -2.762 3.160 2.065 1.00 0.00 H HETATM 62 H21 UNL 1 -3.582 -1.576 0.474 1.00 0.00 H HETATM 63 H22 UNL 1 -3.945 -3.857 0.848 1.00 0.00 H HETATM 64 H23 UNL 1 -0.969 -5.268 1.184 1.00 0.00 H HETATM 65 H24 UNL 1 2.332 -4.513 1.367 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 40 CONECT 3 4 4 42 CONECT 4 5 18 CONECT 5 6 16 43 CONECT 6 7 CONECT 7 8 8 14 CONECT 8 9 44 CONECT 9 10 11 11 CONECT 10 45 CONECT 11 12 46 CONECT 12 13 14 14 CONECT 13 47 CONECT 14 15 CONECT 15 16 48 49 CONECT 16 17 50 CONECT 17 51 CONECT 18 19 19 52 CONECT 19 20 39 CONECT 20 21 34 34 CONECT 21 22 32 53 CONECT 22 23 CONECT 23 24 24 30 CONECT 24 25 54 CONECT 25 26 27 27 CONECT 26 55 CONECT 27 28 56 CONECT 28 29 30 30 CONECT 29 57 CONECT 30 31 CONECT 31 32 58 59 CONECT 32 33 60 CONECT 33 61 CONECT 34 35 62 CONECT 35 36 37 37 CONECT 36 63 CONECT 37 38 39 CONECT 38 64 CONECT 39 40 40 CONECT 40 41 CONECT 41 65 END