COMPND HMDB0242343 HETATM 1 O1 UNL 1 -3.628 3.854 0.137 1.00 0.00 O HETATM 2 C1 UNL 1 -2.722 2.927 -0.403 1.00 0.00 C HETATM 3 C2 UNL 1 -2.241 3.121 -1.681 1.00 0.00 C HETATM 4 C3 UNL 1 -1.355 2.189 -2.178 1.00 0.00 C HETATM 5 C4 UNL 1 -0.963 1.099 -1.422 1.00 0.00 C HETATM 6 C5 UNL 1 -1.438 0.891 -0.129 1.00 0.00 C HETATM 7 C6 UNL 1 -2.320 1.821 0.356 1.00 0.00 C HETATM 8 C7 UNL 1 -1.021 -0.232 0.732 1.00 0.00 C HETATM 9 C8 UNL 1 -2.155 -0.761 1.563 1.00 0.00 C HETATM 10 C9 UNL 1 -3.264 -1.389 0.751 1.00 0.00 C HETATM 11 C10 UNL 1 -2.656 -2.518 -0.054 1.00 0.00 C HETATM 12 C11 UNL 1 -1.519 -2.059 -0.905 1.00 0.00 C HETATM 13 C12 UNL 1 -0.455 -1.350 -0.102 1.00 0.00 C HETATM 14 O2 UNL 1 0.133 -2.285 0.746 1.00 0.00 O HETATM 15 C13 UNL 1 0.588 -0.775 -0.976 1.00 0.00 C HETATM 16 C14 UNL 1 -0.003 0.148 -2.039 1.00 0.00 C HETATM 17 N1 UNL 1 1.617 -0.018 -0.333 1.00 0.00 N HETATM 18 C15 UNL 1 2.922 -0.674 -0.536 1.00 0.00 C HETATM 19 C16 UNL 1 4.091 0.199 -0.274 1.00 0.00 C HETATM 20 C17 UNL 1 4.463 0.874 0.960 1.00 0.00 C HETATM 21 C18 UNL 1 5.240 -0.370 0.525 1.00 0.00 C HETATM 22 C19 UNL 1 1.436 0.228 1.055 1.00 0.00 C HETATM 23 C20 UNL 1 0.096 0.215 1.651 1.00 0.00 C HETATM 24 H1 UNL 1 -3.287 4.639 0.642 1.00 0.00 H HETATM 25 H2 UNL 1 -2.532 3.963 -2.292 1.00 0.00 H HETATM 26 H3 UNL 1 -0.952 2.327 -3.197 1.00 0.00 H HETATM 27 H4 UNL 1 -2.761 1.780 1.339 1.00 0.00 H HETATM 28 H5 UNL 1 -1.695 -1.509 2.261 1.00 0.00 H HETATM 29 H6 UNL 1 -2.599 0.012 2.214 1.00 0.00 H HETATM 30 H7 UNL 1 -3.989 -1.829 1.432 1.00 0.00 H HETATM 31 H8 UNL 1 -3.689 -0.638 0.089 1.00 0.00 H HETATM 32 H9 UNL 1 -2.426 -3.383 0.582 1.00 0.00 H HETATM 33 H10 UNL 1 -3.469 -2.876 -0.749 1.00 0.00 H HETATM 34 H11 UNL 1 -1.067 -2.937 -1.401 1.00 0.00 H HETATM 35 H12 UNL 1 -1.912 -1.352 -1.660 1.00 0.00 H HETATM 36 H13 UNL 1 -0.567 -2.841 1.214 1.00 0.00 H HETATM 37 H14 UNL 1 1.076 -1.592 -1.545 1.00 0.00 H HETATM 38 H15 UNL 1 -0.462 -0.397 -2.866 1.00 0.00 H HETATM 39 H16 UNL 1 0.830 0.748 -2.454 1.00 0.00 H HETATM 40 H17 UNL 1 2.989 -1.090 -1.561 1.00 0.00 H HETATM 41 H18 UNL 1 2.885 -1.570 0.149 1.00 0.00 H HETATM 42 H19 UNL 1 4.479 0.686 -1.224 1.00 0.00 H HETATM 43 H20 UNL 1 4.972 1.883 0.833 1.00 0.00 H HETATM 44 H21 UNL 1 4.059 0.768 1.960 1.00 0.00 H HETATM 45 H22 UNL 1 6.292 -0.128 0.242 1.00 0.00 H HETATM 46 H23 UNL 1 5.142 -1.282 1.110 1.00 0.00 H HETATM 47 H24 UNL 1 1.867 1.245 1.234 1.00 0.00 H HETATM 48 H25 UNL 1 2.120 -0.470 1.610 1.00 0.00 H HETATM 49 H26 UNL 1 0.068 -0.486 2.523 1.00 0.00 H HETATM 50 H27 UNL 1 -0.220 1.195 2.069 1.00 0.00 H CONECT 1 2 24 CONECT 2 3 3 7 CONECT 3 4 25 CONECT 4 5 5 26 CONECT 5 6 16 CONECT 6 7 7 8 CONECT 7 27 CONECT 8 9 13 23 CONECT 9 10 28 29 CONECT 10 11 30 31 CONECT 11 12 32 33 CONECT 12 13 34 35 CONECT 13 14 15 CONECT 14 36 CONECT 15 16 17 37 CONECT 16 38 39 CONECT 17 18 22 CONECT 18 19 40 41 CONECT 19 20 21 42 CONECT 20 21 43 44 CONECT 21 45 46 CONECT 22 23 47 48 CONECT 23 49 50 END