COMPND HMDB0301704 HETATM 1 O1 UNL 1 4.044 2.614 2.578 1.00 0.00 O HETATM 2 C1 UNL 1 3.514 1.815 1.737 1.00 0.00 C HETATM 3 O2 UNL 1 2.213 1.655 1.726 1.00 0.00 O HETATM 4 C2 UNL 1 1.587 0.849 0.890 1.00 0.00 C HETATM 5 C3 UNL 1 0.218 0.706 0.907 1.00 0.00 C HETATM 6 O3 UNL 1 -0.524 1.424 1.823 1.00 0.00 O HETATM 7 C4 UNL 1 -0.467 -0.145 0.027 1.00 0.00 C HETATM 8 O4 UNL 1 -1.743 -0.268 0.055 1.00 0.00 O HETATM 9 C5 UNL 1 -3.031 -0.354 0.126 1.00 0.00 C HETATM 10 O5 UNL 1 -3.590 -1.609 0.432 1.00 0.00 O HETATM 11 C6 UNL 1 -4.748 -1.403 1.170 1.00 0.00 C HETATM 12 C7 UNL 1 -5.561 -0.227 0.703 1.00 0.00 C HETATM 13 O6 UNL 1 -6.914 -0.543 0.829 1.00 0.00 O HETATM 14 C8 UNL 1 -5.293 -0.003 -0.760 1.00 0.00 C HETATM 15 O7 UNL 1 -5.843 -1.091 -1.452 1.00 0.00 O HETATM 16 C9 UNL 1 -3.826 0.131 -1.092 1.00 0.00 C HETATM 17 O8 UNL 1 -3.561 1.511 -1.205 1.00 0.00 O HETATM 18 C10 UNL 1 0.363 -0.838 -0.873 1.00 0.00 C HETATM 19 C11 UNL 1 1.725 -0.700 -0.895 1.00 0.00 C HETATM 20 C12 UNL 1 2.528 -1.390 -1.788 1.00 0.00 C HETATM 21 O9 UNL 1 1.958 -2.163 -2.595 1.00 0.00 O HETATM 22 O10 UNL 1 3.833 -1.249 -1.800 1.00 0.00 O HETATM 23 C13 UNL 1 4.461 -0.452 -0.973 1.00 0.00 C HETATM 24 C14 UNL 1 5.834 -0.289 -0.969 1.00 0.00 C HETATM 25 O11 UNL 1 6.610 -0.988 -1.868 1.00 0.00 O HETATM 26 C15 UNL 1 6.438 0.568 -0.071 1.00 0.00 C HETATM 27 O12 UNL 1 7.813 0.713 -0.088 1.00 0.00 O HETATM 28 C16 UNL 1 5.690 1.281 0.841 1.00 0.00 C HETATM 29 C17 UNL 1 4.319 1.132 0.851 1.00 0.00 C HETATM 30 C18 UNL 1 3.728 0.274 -0.049 1.00 0.00 C HETATM 31 C19 UNL 1 2.356 0.149 -0.010 1.00 0.00 C HETATM 32 H1 UNL 1 -1.515 1.372 1.896 1.00 0.00 H HETATM 33 H2 UNL 1 -3.431 0.326 0.953 1.00 0.00 H HETATM 34 H3 UNL 1 -4.442 -1.177 2.234 1.00 0.00 H HETATM 35 H4 UNL 1 -5.365 -2.324 1.240 1.00 0.00 H HETATM 36 H5 UNL 1 -5.404 0.692 1.295 1.00 0.00 H HETATM 37 H6 UNL 1 -7.083 -0.709 1.804 1.00 0.00 H HETATM 38 H7 UNL 1 -5.873 0.894 -1.080 1.00 0.00 H HETATM 39 H8 UNL 1 -5.104 -1.639 -1.796 1.00 0.00 H HETATM 40 H9 UNL 1 -3.551 -0.407 -2.006 1.00 0.00 H HETATM 41 H10 UNL 1 -2.900 1.694 -1.928 1.00 0.00 H HETATM 42 H11 UNL 1 -0.138 -1.496 -1.558 1.00 0.00 H HETATM 43 H12 UNL 1 6.204 -1.618 -2.533 1.00 0.00 H HETATM 44 H13 UNL 1 8.282 1.333 0.558 1.00 0.00 H HETATM 45 H14 UNL 1 6.191 1.951 1.539 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 29 CONECT 3 4 CONECT 4 5 5 31 CONECT 5 6 7 CONECT 6 32 CONECT 7 8 18 18 CONECT 8 9 CONECT 9 10 16 33 CONECT 10 11 CONECT 11 12 34 35 CONECT 12 13 14 36 CONECT 13 37 CONECT 14 15 16 38 CONECT 15 39 CONECT 16 17 40 CONECT 17 41 CONECT 18 19 42 CONECT 19 20 31 31 CONECT 20 21 21 22 CONECT 22 23 CONECT 23 24 30 30 CONECT 24 25 26 26 CONECT 25 43 CONECT 26 27 28 CONECT 27 44 CONECT 28 29 29 45 CONECT 29 30 CONECT 30 31 END