COMPND HMDB0252620 HETATM 1 C1 UNL 1 5.441 -0.327 0.808 1.00 0.00 C HETATM 2 C2 UNL 1 5.087 -0.641 -0.607 1.00 0.00 C HETATM 3 O1 UNL 1 5.853 0.203 -1.422 1.00 0.00 O HETATM 4 C3 UNL 1 3.629 -0.362 -0.943 1.00 0.00 C HETATM 5 C4 UNL 1 2.687 -1.144 -0.109 1.00 0.00 C HETATM 6 C5 UNL 1 1.282 -0.902 -0.445 1.00 0.00 C HETATM 7 C6 UNL 1 0.836 0.494 -0.257 1.00 0.00 C HETATM 8 O2 UNL 1 1.547 1.508 -0.257 1.00 0.00 O HETATM 9 N1 UNL 1 -0.615 0.455 -0.071 1.00 0.00 N HETATM 10 C7 UNL 1 -1.441 1.567 -0.326 1.00 0.00 C HETATM 11 C8 UNL 1 -2.629 1.816 0.308 1.00 0.00 C HETATM 12 C9 UNL 1 -3.436 2.918 0.045 1.00 0.00 C HETATM 13 C10 UNL 1 -3.042 3.818 -0.897 1.00 0.00 C HETATM 14 C11 UNL 1 -1.846 3.616 -1.570 1.00 0.00 C HETATM 15 C12 UNL 1 -1.077 2.508 -1.275 1.00 0.00 C HETATM 16 N2 UNL 1 -0.899 -0.820 0.368 1.00 0.00 N HETATM 17 C13 UNL 1 -2.220 -1.286 0.668 1.00 0.00 C HETATM 18 C14 UNL 1 -2.531 -1.518 1.987 1.00 0.00 C HETATM 19 C15 UNL 1 -3.794 -1.978 2.321 1.00 0.00 C HETATM 20 C16 UNL 1 -4.753 -2.211 1.364 1.00 0.00 C HETATM 21 C17 UNL 1 -4.446 -1.979 0.041 1.00 0.00 C HETATM 22 C18 UNL 1 -3.183 -1.521 -0.282 1.00 0.00 C HETATM 23 C19 UNL 1 0.311 -1.584 0.467 1.00 0.00 C HETATM 24 O3 UNL 1 0.482 -2.600 1.176 1.00 0.00 O HETATM 25 H1 UNL 1 6.540 -0.554 0.909 1.00 0.00 H HETATM 26 H2 UNL 1 4.946 -1.004 1.539 1.00 0.00 H HETATM 27 H3 UNL 1 5.280 0.738 1.012 1.00 0.00 H HETATM 28 H4 UNL 1 5.346 -1.668 -0.891 1.00 0.00 H HETATM 29 H5 UNL 1 5.298 0.650 -2.108 1.00 0.00 H HETATM 30 H6 UNL 1 3.479 0.724 -0.935 1.00 0.00 H HETATM 31 H7 UNL 1 3.527 -0.667 -2.026 1.00 0.00 H HETATM 32 H8 UNL 1 2.894 -2.243 -0.127 1.00 0.00 H HETATM 33 H9 UNL 1 2.911 -0.861 0.967 1.00 0.00 H HETATM 34 H10 UNL 1 1.016 -1.246 -1.479 1.00 0.00 H HETATM 35 H11 UNL 1 -2.992 1.155 1.050 1.00 0.00 H HETATM 36 H12 UNL 1 -4.376 3.089 0.563 1.00 0.00 H HETATM 37 H13 UNL 1 -3.621 4.703 -1.156 1.00 0.00 H HETATM 38 H14 UNL 1 -1.542 4.348 -2.327 1.00 0.00 H HETATM 39 H15 UNL 1 -0.155 2.421 -1.847 1.00 0.00 H HETATM 40 H16 UNL 1 -1.840 -1.363 2.804 1.00 0.00 H HETATM 41 H17 UNL 1 -4.029 -2.159 3.374 1.00 0.00 H HETATM 42 H18 UNL 1 -5.755 -2.577 1.647 1.00 0.00 H HETATM 43 H19 UNL 1 -5.205 -2.163 -0.736 1.00 0.00 H HETATM 44 H20 UNL 1 -2.966 -1.349 -1.324 1.00 0.00 H CONECT 1 2 25 26 27 CONECT 2 3 4 28 CONECT 3 29 CONECT 4 5 30 31 CONECT 5 6 32 33 CONECT 6 7 23 34 CONECT 7 8 8 9 CONECT 9 10 16 CONECT 10 11 11 15 CONECT 11 12 35 CONECT 12 13 13 36 CONECT 13 14 37 CONECT 14 15 15 38 CONECT 15 39 CONECT 16 17 23 CONECT 17 18 18 22 CONECT 18 19 40 CONECT 19 20 20 41 CONECT 20 21 42 CONECT 21 22 22 43 CONECT 22 44 CONECT 23 24 24 END