COMPND HMDB0251443 HETATM 1 O1 UNL 1 2.570 -1.591 -1.915 1.00 0.00 O HETATM 2 C1 UNL 1 2.519 -1.113 -0.749 1.00 0.00 C HETATM 3 C2 UNL 1 3.622 -0.591 0.049 1.00 0.00 C HETATM 4 C3 UNL 1 4.954 -0.413 -0.264 1.00 0.00 C HETATM 5 C4 UNL 1 5.831 0.110 0.678 1.00 0.00 C HETATM 6 C5 UNL 1 5.408 0.459 1.927 1.00 0.00 C HETATM 7 C6 UNL 1 4.080 0.281 2.240 1.00 0.00 C HETATM 8 C7 UNL 1 3.183 -0.240 1.317 1.00 0.00 C HETATM 9 C8 UNL 1 1.759 -0.527 1.378 1.00 0.00 C HETATM 10 O2 UNL 1 1.052 -0.402 2.407 1.00 0.00 O HETATM 11 C9 UNL 1 1.263 -0.989 0.056 1.00 0.00 C HETATM 12 C10 UNL 1 0.339 0.008 -0.539 1.00 0.00 C HETATM 13 O3 UNL 1 0.686 0.575 -1.550 1.00 0.00 O HETATM 14 C11 UNL 1 -0.951 0.273 0.106 1.00 0.00 C HETATM 15 C12 UNL 1 -1.812 -0.945 0.211 1.00 0.00 C HETATM 16 C13 UNL 1 -1.893 -1.875 -0.795 1.00 0.00 C HETATM 17 C14 UNL 1 -2.679 -3.009 -0.731 1.00 0.00 C HETATM 18 C15 UNL 1 -3.403 -3.164 0.437 1.00 0.00 C HETATM 19 C16 UNL 1 -3.356 -2.261 1.474 1.00 0.00 C HETATM 20 C17 UNL 1 -2.556 -1.150 1.354 1.00 0.00 C HETATM 21 C18 UNL 1 -1.713 1.400 -0.450 1.00 0.00 C HETATM 22 C19 UNL 1 -1.874 1.571 -1.812 1.00 0.00 C HETATM 23 C20 UNL 1 -2.596 2.648 -2.259 1.00 0.00 C HETATM 24 C21 UNL 1 -3.180 3.583 -1.433 1.00 0.00 C HETATM 25 C22 UNL 1 -3.009 3.397 -0.084 1.00 0.00 C HETATM 26 C23 UNL 1 -2.292 2.331 0.415 1.00 0.00 C HETATM 27 H1 UNL 1 5.304 -0.683 -1.245 1.00 0.00 H HETATM 28 H2 UNL 1 6.856 0.224 0.371 1.00 0.00 H HETATM 29 H3 UNL 1 6.105 0.866 2.652 1.00 0.00 H HETATM 30 H4 UNL 1 3.751 0.565 3.248 1.00 0.00 H HETATM 31 H5 UNL 1 0.782 -1.978 0.197 1.00 0.00 H HETATM 32 H6 UNL 1 -0.696 0.542 1.175 1.00 0.00 H HETATM 33 H7 UNL 1 -1.311 -1.714 -1.688 1.00 0.00 H HETATM 34 H8 UNL 1 -2.750 -3.741 -1.508 1.00 0.00 H HETATM 35 H9 UNL 1 -4.044 -4.024 0.569 1.00 0.00 H HETATM 36 H10 UNL 1 -3.932 -2.388 2.396 1.00 0.00 H HETATM 37 H11 UNL 1 -2.497 -0.406 2.170 1.00 0.00 H HETATM 38 H12 UNL 1 -1.424 0.844 -2.467 1.00 0.00 H HETATM 39 H13 UNL 1 -2.709 2.760 -3.330 1.00 0.00 H HETATM 40 H14 UNL 1 -3.748 4.430 -1.796 1.00 0.00 H HETATM 41 H15 UNL 1 -3.457 4.117 0.605 1.00 0.00 H HETATM 42 H16 UNL 1 -2.181 2.220 1.502 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 11 CONECT 3 4 4 8 CONECT 4 5 27 CONECT 5 6 6 28 CONECT 6 7 29 CONECT 7 8 8 30 CONECT 8 9 CONECT 9 10 10 11 CONECT 11 12 31 CONECT 12 13 13 14 CONECT 14 15 21 32 CONECT 15 16 16 20 CONECT 16 17 33 CONECT 17 18 18 34 CONECT 18 19 35 CONECT 19 20 20 36 CONECT 20 37 CONECT 21 22 22 26 CONECT 22 23 38 CONECT 23 24 24 39 CONECT 24 25 40 CONECT 25 26 26 41 CONECT 26 42 END