COMPND HMDB0038642 HETATM 1 C1 UNL 1 7.182 -1.053 1.272 1.00 0.00 C HETATM 2 O1 UNL 1 6.178 -0.088 1.501 1.00 0.00 O HETATM 3 C2 UNL 1 4.970 -0.195 0.828 1.00 0.00 C HETATM 4 C3 UNL 1 4.732 -1.224 -0.058 1.00 0.00 C HETATM 5 C4 UNL 1 3.536 -1.331 -0.725 1.00 0.00 C HETATM 6 C5 UNL 1 2.548 -0.395 -0.510 1.00 0.00 C HETATM 7 C6 UNL 1 1.277 -0.250 -1.025 1.00 0.00 C HETATM 8 C7 UNL 1 0.768 0.884 -0.427 1.00 0.00 C HETATM 9 N1 UNL 1 1.681 1.400 0.407 1.00 0.00 N HETATM 10 C8 UNL 1 2.796 0.642 0.387 1.00 0.00 C HETATM 11 C9 UNL 1 3.994 0.752 1.057 1.00 0.00 C HETATM 12 C10 UNL 1 -0.630 1.258 -0.833 1.00 0.00 C HETATM 13 C11 UNL 1 -1.077 2.347 0.055 1.00 0.00 C HETATM 14 C12 UNL 1 -1.752 3.402 -0.304 1.00 0.00 C HETATM 15 C13 UNL 1 -2.178 3.659 -1.708 1.00 0.00 C HETATM 16 C14 UNL 1 -2.126 4.411 0.719 1.00 0.00 C HETATM 17 N2 UNL 1 -1.414 0.068 -0.759 1.00 0.00 N HETATM 18 C15 UNL 1 -2.558 0.002 0.086 1.00 0.00 C HETATM 19 O2 UNL 1 -2.850 0.942 0.871 1.00 0.00 O HETATM 20 C16 UNL 1 -3.363 -1.243 -0.036 1.00 0.00 C HETATM 21 C17 UNL 1 -4.285 -1.444 1.134 1.00 0.00 C HETATM 22 C18 UNL 1 -4.127 -2.888 1.538 1.00 0.00 C HETATM 23 C19 UNL 1 -2.947 -3.430 0.796 1.00 0.00 C HETATM 24 N3 UNL 1 -2.419 -2.350 -0.007 1.00 0.00 N HETATM 25 C20 UNL 1 -1.182 -2.278 -0.705 1.00 0.00 C HETATM 26 O3 UNL 1 -0.290 -3.162 -0.615 1.00 0.00 O HETATM 27 C21 UNL 1 -0.995 -1.060 -1.575 1.00 0.00 C HETATM 28 C22 UNL 1 0.437 -0.983 -1.985 1.00 0.00 C HETATM 29 H1 UNL 1 7.355 -1.132 0.197 1.00 0.00 H HETATM 30 H2 UNL 1 6.832 -1.999 1.732 1.00 0.00 H HETATM 31 H3 UNL 1 8.095 -0.686 1.827 1.00 0.00 H HETATM 32 H4 UNL 1 5.517 -1.952 -0.217 1.00 0.00 H HETATM 33 H5 UNL 1 3.354 -2.149 -1.425 1.00 0.00 H HETATM 34 H6 UNL 1 1.533 2.259 0.976 1.00 0.00 H HETATM 35 H7 UNL 1 4.177 1.567 1.755 1.00 0.00 H HETATM 36 H8 UNL 1 -0.578 1.601 -1.886 1.00 0.00 H HETATM 37 H9 UNL 1 -0.803 2.230 1.098 1.00 0.00 H HETATM 38 H10 UNL 1 -2.219 2.734 -2.317 1.00 0.00 H HETATM 39 H11 UNL 1 -3.228 4.056 -1.703 1.00 0.00 H HETATM 40 H12 UNL 1 -1.551 4.449 -2.156 1.00 0.00 H HETATM 41 H13 UNL 1 -2.876 5.136 0.343 1.00 0.00 H HETATM 42 H14 UNL 1 -1.235 5.018 1.010 1.00 0.00 H HETATM 43 H15 UNL 1 -2.485 3.935 1.670 1.00 0.00 H HETATM 44 H16 UNL 1 -3.880 -1.214 -1.002 1.00 0.00 H HETATM 45 H17 UNL 1 -5.324 -1.242 0.840 1.00 0.00 H HETATM 46 H18 UNL 1 -4.005 -0.739 1.940 1.00 0.00 H HETATM 47 H19 UNL 1 -3.976 -2.905 2.649 1.00 0.00 H HETATM 48 H20 UNL 1 -5.013 -3.499 1.243 1.00 0.00 H HETATM 49 H21 UNL 1 -2.173 -3.769 1.542 1.00 0.00 H HETATM 50 H22 UNL 1 -3.186 -4.322 0.194 1.00 0.00 H HETATM 51 H23 UNL 1 -1.612 -1.139 -2.499 1.00 0.00 H HETATM 52 H24 UNL 1 0.557 -0.585 -3.031 1.00 0.00 H HETATM 53 H25 UNL 1 0.820 -2.043 -2.037 1.00 0.00 H CONECT 1 2 29 30 31 CONECT 2 3 CONECT 3 4 4 11 CONECT 4 5 32 CONECT 5 6 6 33 CONECT 6 7 10 CONECT 7 8 8 28 CONECT 8 9 12 CONECT 9 10 34 CONECT 10 11 11 CONECT 11 35 CONECT 12 13 17 36 CONECT 13 14 14 37 CONECT 14 15 16 CONECT 15 38 39 40 CONECT 16 41 42 43 CONECT 17 18 27 CONECT 18 19 19 20 CONECT 20 21 24 44 CONECT 21 22 45 46 CONECT 22 23 47 48 CONECT 23 24 49 50 CONECT 24 25 CONECT 25 26 26 27 CONECT 27 28 51 CONECT 28 52 53 END