COMPND HMDB0034360 HETATM 1 C1 UNL 1 4.795 0.069 -1.771 1.00 0.00 C HETATM 2 C2 UNL 1 3.633 -0.442 -0.906 1.00 0.00 C HETATM 3 O1 UNL 1 2.457 0.060 -1.354 1.00 0.00 O HETATM 4 C3 UNL 1 1.584 0.499 -0.298 1.00 0.00 C HETATM 5 O2 UNL 1 0.402 0.776 -1.024 1.00 0.00 O HETATM 6 C4 UNL 1 -0.682 -0.055 -1.093 1.00 0.00 C HETATM 7 C5 UNL 1 -1.746 0.054 -0.262 1.00 0.00 C HETATM 8 C6 UNL 1 -1.900 1.058 0.794 1.00 0.00 C HETATM 9 C7 UNL 1 -1.166 2.200 0.852 1.00 0.00 C HETATM 10 C8 UNL 1 -1.322 3.086 1.925 1.00 0.00 C HETATM 11 O3 UNL 1 -0.521 4.211 1.877 1.00 0.00 O HETATM 12 C9 UNL 1 -2.221 2.800 2.921 1.00 0.00 C HETATM 13 O4 UNL 1 -2.394 3.651 3.985 1.00 0.00 O HETATM 14 C10 UNL 1 -2.977 1.638 2.871 1.00 0.00 C HETATM 15 O5 UNL 1 -3.884 1.392 3.916 1.00 0.00 O HETATM 16 C11 UNL 1 -2.814 0.786 1.822 1.00 0.00 C HETATM 17 O6 UNL 1 -2.782 -0.797 -0.358 1.00 0.00 O HETATM 18 C12 UNL 1 -2.854 -1.764 -1.228 1.00 0.00 C HETATM 19 C13 UNL 1 -3.942 -2.620 -1.292 1.00 0.00 C HETATM 20 C14 UNL 1 -4.003 -3.637 -2.217 1.00 0.00 C HETATM 21 O7 UNL 1 -5.101 -4.483 -2.265 1.00 0.00 O HETATM 22 C15 UNL 1 -2.926 -3.760 -3.077 1.00 0.00 C HETATM 23 C16 UNL 1 -1.838 -2.916 -3.024 1.00 0.00 C HETATM 24 O8 UNL 1 -0.789 -3.063 -3.888 1.00 0.00 O HETATM 25 C17 UNL 1 -1.797 -1.904 -2.090 1.00 0.00 C HETATM 26 C18 UNL 1 -0.721 -1.084 -2.048 1.00 0.00 C HETATM 27 O9 UNL 1 0.266 -1.163 -2.804 1.00 0.00 O HETATM 28 C19 UNL 1 2.248 1.713 0.256 1.00 0.00 C HETATM 29 O10 UNL 1 2.643 2.600 -0.747 1.00 0.00 O HETATM 30 C20 UNL 1 3.542 1.251 0.936 1.00 0.00 C HETATM 31 O11 UNL 1 3.298 1.193 2.327 1.00 0.00 O HETATM 32 C21 UNL 1 3.963 -0.118 0.521 1.00 0.00 C HETATM 33 O12 UNL 1 3.484 -1.112 1.381 1.00 0.00 O HETATM 34 H1 UNL 1 5.601 -0.717 -1.824 1.00 0.00 H HETATM 35 H2 UNL 1 5.273 0.946 -1.307 1.00 0.00 H HETATM 36 H3 UNL 1 4.466 0.287 -2.793 1.00 0.00 H HETATM 37 H4 UNL 1 3.662 -1.552 -1.024 1.00 0.00 H HETATM 38 H5 UNL 1 1.524 -0.343 0.386 1.00 0.00 H HETATM 39 H6 UNL 1 -0.489 2.439 0.054 1.00 0.00 H HETATM 40 H7 UNL 1 -0.580 4.885 2.608 1.00 0.00 H HETATM 41 H8 UNL 1 -1.876 4.489 4.059 1.00 0.00 H HETATM 42 H9 UNL 1 -4.419 0.543 3.855 1.00 0.00 H HETATM 43 H10 UNL 1 -3.422 -0.121 1.811 1.00 0.00 H HETATM 44 H11 UNL 1 -4.732 -2.442 -0.579 1.00 0.00 H HETATM 45 H12 UNL 1 -5.156 -5.343 -1.734 1.00 0.00 H HETATM 46 H13 UNL 1 -2.983 -4.559 -3.798 1.00 0.00 H HETATM 47 H14 UNL 1 -0.814 -3.804 -4.573 1.00 0.00 H HETATM 48 H15 UNL 1 1.682 2.285 0.994 1.00 0.00 H HETATM 49 H16 UNL 1 2.053 2.573 -1.518 1.00 0.00 H HETATM 50 H17 UNL 1 4.315 2.031 0.811 1.00 0.00 H HETATM 51 H18 UNL 1 2.800 0.358 2.557 1.00 0.00 H HETATM 52 H19 UNL 1 5.076 -0.172 0.615 1.00 0.00 H HETATM 53 H20 UNL 1 4.077 -1.903 1.307 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 32 37 CONECT 3 4 CONECT 4 5 28 38 CONECT 5 6 CONECT 6 7 7 26 CONECT 7 8 17 CONECT 8 9 9 16 CONECT 9 10 39 CONECT 10 11 12 12 CONECT 11 40 CONECT 12 13 14 CONECT 13 41 CONECT 14 15 16 16 CONECT 15 42 CONECT 16 43 CONECT 17 18 CONECT 18 19 19 25 CONECT 19 20 44 CONECT 20 21 22 22 CONECT 21 45 CONECT 22 23 46 CONECT 23 24 25 25 CONECT 24 47 CONECT 25 26 CONECT 26 27 27 CONECT 28 29 30 48 CONECT 29 49 CONECT 30 31 32 50 CONECT 31 51 CONECT 32 33 52 CONECT 33 53 END