COMPND HMDB0029528 HETATM 1 C1 UNL 1 -4.987 3.759 4.235 1.00 0.00 C HETATM 2 C2 UNL 1 -5.472 2.503 3.650 1.00 0.00 C HETATM 3 O1 UNL 1 -6.704 2.237 3.631 1.00 0.00 O HETATM 4 O2 UNL 1 -4.625 1.547 3.094 1.00 0.00 O HETATM 5 C3 UNL 1 -5.148 0.367 2.549 1.00 0.00 C HETATM 6 C4 UNL 1 -4.006 -0.497 2.011 1.00 0.00 C HETATM 7 O3 UNL 1 -3.362 0.279 1.024 1.00 0.00 O HETATM 8 C5 UNL 1 -2.708 -0.586 0.126 1.00 0.00 C HETATM 9 O4 UNL 1 -1.784 0.119 -0.617 1.00 0.00 O HETATM 10 C6 UNL 1 -0.411 -0.044 -0.653 1.00 0.00 C HETATM 11 C7 UNL 1 0.264 -0.989 0.091 1.00 0.00 C HETATM 12 C8 UNL 1 1.647 -1.107 0.013 1.00 0.00 C HETATM 13 O5 UNL 1 2.331 -2.057 0.761 1.00 0.00 O HETATM 14 C9 UNL 1 2.388 -0.284 -0.809 1.00 0.00 C HETATM 15 C10 UNL 1 3.779 -0.403 -0.887 1.00 0.00 C HETATM 16 O6 UNL 1 4.378 -1.254 -0.215 1.00 0.00 O HETATM 17 C11 UNL 1 4.457 0.445 -1.723 1.00 0.00 C HETATM 18 C12 UNL 1 5.913 0.406 -1.878 1.00 0.00 C HETATM 19 C13 UNL 1 6.744 0.307 -0.782 1.00 0.00 C HETATM 20 C14 UNL 1 8.127 0.269 -0.915 1.00 0.00 C HETATM 21 C15 UNL 1 8.722 0.330 -2.158 1.00 0.00 C HETATM 22 O7 UNL 1 10.108 0.293 -2.299 1.00 0.00 O HETATM 23 C16 UNL 1 7.884 0.429 -3.249 1.00 0.00 C HETATM 24 C17 UNL 1 6.507 0.467 -3.122 1.00 0.00 C HETATM 25 C18 UNL 1 3.750 1.378 -2.452 1.00 0.00 C HETATM 26 O8 UNL 1 2.448 1.445 -2.340 1.00 0.00 O HETATM 27 C19 UNL 1 1.732 0.667 -1.561 1.00 0.00 C HETATM 28 C20 UNL 1 0.363 0.763 -1.466 1.00 0.00 C HETATM 29 C21 UNL 1 -3.735 -1.213 -0.825 1.00 0.00 C HETATM 30 O9 UNL 1 -3.281 -2.466 -1.155 1.00 0.00 O HETATM 31 C22 UNL 1 -5.021 -1.344 -0.037 1.00 0.00 C HETATM 32 O10 UNL 1 -5.880 -2.281 -0.607 1.00 0.00 O HETATM 33 C23 UNL 1 -4.648 -1.715 1.382 1.00 0.00 C HETATM 34 O11 UNL 1 -5.759 -2.146 2.105 1.00 0.00 O HETATM 35 H1 UNL 1 -5.849 4.322 4.635 1.00 0.00 H HETATM 36 H2 UNL 1 -4.430 4.389 3.485 1.00 0.00 H HETATM 37 H3 UNL 1 -4.257 3.588 5.059 1.00 0.00 H HETATM 38 H4 UNL 1 -5.743 -0.231 3.265 1.00 0.00 H HETATM 39 H5 UNL 1 -5.836 0.657 1.730 1.00 0.00 H HETATM 40 H6 UNL 1 -3.301 -0.751 2.816 1.00 0.00 H HETATM 41 H7 UNL 1 -2.234 -1.362 0.755 1.00 0.00 H HETATM 42 H8 UNL 1 -0.245 -1.654 0.743 1.00 0.00 H HETATM 43 H9 UNL 1 1.834 -2.677 1.371 1.00 0.00 H HETATM 44 H10 UNL 1 6.263 0.259 0.194 1.00 0.00 H HETATM 45 H11 UNL 1 8.756 0.191 -0.046 1.00 0.00 H HETATM 46 H12 UNL 1 10.639 1.161 -2.293 1.00 0.00 H HETATM 47 H13 UNL 1 8.375 0.476 -4.228 1.00 0.00 H HETATM 48 H14 UNL 1 5.880 0.545 -3.999 1.00 0.00 H HETATM 49 H15 UNL 1 4.307 2.053 -3.119 1.00 0.00 H HETATM 50 H16 UNL 1 -0.121 1.534 -2.081 1.00 0.00 H HETATM 51 H17 UNL 1 -3.925 -0.559 -1.689 1.00 0.00 H HETATM 52 H18 UNL 1 -3.569 -3.187 -0.569 1.00 0.00 H HETATM 53 H19 UNL 1 -5.481 -0.325 -0.022 1.00 0.00 H HETATM 54 H20 UNL 1 -5.681 -3.181 -0.198 1.00 0.00 H HETATM 55 H21 UNL 1 -3.937 -2.576 1.342 1.00 0.00 H HETATM 56 H22 UNL 1 -5.455 -2.294 3.039 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 3 4 CONECT 4 5 CONECT 5 6 38 39 CONECT 6 7 33 40 CONECT 7 8 CONECT 8 9 29 41 CONECT 9 10 CONECT 10 11 11 28 CONECT 11 12 42 CONECT 12 13 14 14 CONECT 13 43 CONECT 14 15 27 CONECT 15 16 16 17 CONECT 17 18 25 25 CONECT 18 19 19 24 CONECT 19 20 44 CONECT 20 21 21 45 CONECT 21 22 23 CONECT 22 46 CONECT 23 24 24 47 CONECT 24 48 CONECT 25 26 49 CONECT 26 27 CONECT 27 28 28 CONECT 28 50 CONECT 29 30 31 51 CONECT 30 52 CONECT 31 32 33 53 CONECT 32 54 CONECT 33 34 55 CONECT 34 56 END