COMPND HMDB0030774 HETATM 1 C1 UNL 1 4.155 2.496 -1.084 1.00 0.00 C HETATM 2 O1 UNL 1 3.906 1.153 -1.505 1.00 0.00 O HETATM 3 C2 UNL 1 3.373 0.304 -0.536 1.00 0.00 C HETATM 4 C3 UNL 1 1.975 0.263 -0.469 1.00 0.00 C HETATM 5 C4 UNL 1 1.410 -0.580 0.493 1.00 0.00 C HETATM 6 C5 UNL 1 2.196 -1.334 1.337 1.00 0.00 C HETATM 7 C6 UNL 1 3.569 -1.256 1.228 1.00 0.00 C HETATM 8 C7 UNL 1 4.621 -1.867 1.905 1.00 0.00 C HETATM 9 C8 UNL 1 5.782 -1.364 1.318 1.00 0.00 C HETATM 10 O2 UNL 1 5.474 -0.517 0.362 1.00 0.00 O HETATM 11 C9 UNL 1 4.170 -0.442 0.297 1.00 0.00 C HETATM 12 C10 UNL 1 -0.065 -0.627 0.569 1.00 0.00 C HETATM 13 O3 UNL 1 -0.618 -1.550 1.173 1.00 0.00 O HETATM 14 C11 UNL 1 -0.787 0.499 -0.125 1.00 0.00 C HETATM 15 O4 UNL 1 -0.689 1.676 0.595 1.00 0.00 O HETATM 16 C12 UNL 1 -2.235 0.154 -0.329 1.00 0.00 C HETATM 17 C13 UNL 1 -2.964 -0.248 0.785 1.00 0.00 C HETATM 18 C14 UNL 1 -4.293 -0.576 0.654 1.00 0.00 C HETATM 19 C15 UNL 1 -4.884 -0.499 -0.587 1.00 0.00 C HETATM 20 C16 UNL 1 -4.153 -0.101 -1.677 1.00 0.00 C HETATM 21 C17 UNL 1 -2.819 0.232 -1.572 1.00 0.00 C HETATM 22 O5 UNL 1 -2.113 0.636 -2.728 1.00 0.00 O HETATM 23 C18 UNL 1 -0.939 1.417 -2.449 1.00 0.00 C HETATM 24 C19 UNL 1 -0.151 0.594 -1.487 1.00 0.00 C HETATM 25 O6 UNL 1 1.180 1.024 -1.319 1.00 0.00 O HETATM 26 O7 UNL 1 -6.216 -0.887 -0.404 1.00 0.00 O HETATM 27 C20 UNL 1 -6.294 -1.581 0.848 1.00 0.00 C HETATM 28 O8 UNL 1 -5.254 -1.006 1.593 1.00 0.00 O HETATM 29 H1 UNL 1 3.364 2.843 -0.374 1.00 0.00 H HETATM 30 H2 UNL 1 4.181 3.196 -1.925 1.00 0.00 H HETATM 31 H3 UNL 1 5.111 2.542 -0.520 1.00 0.00 H HETATM 32 H4 UNL 1 1.717 -1.970 2.064 1.00 0.00 H HETATM 33 H5 UNL 1 4.519 -2.578 2.711 1.00 0.00 H HETATM 34 H6 UNL 1 6.761 -1.682 1.663 1.00 0.00 H HETATM 35 H7 UNL 1 -0.725 2.475 0.024 1.00 0.00 H HETATM 36 H8 UNL 1 -2.486 -0.305 1.774 1.00 0.00 H HETATM 37 H9 UNL 1 -4.608 -0.037 -2.667 1.00 0.00 H HETATM 38 H10 UNL 1 -0.359 1.619 -3.349 1.00 0.00 H HETATM 39 H11 UNL 1 -1.306 2.367 -2.003 1.00 0.00 H HETATM 40 H12 UNL 1 -0.142 -0.461 -1.895 1.00 0.00 H HETATM 41 H13 UNL 1 -6.086 -2.650 0.717 1.00 0.00 H HETATM 42 H14 UNL 1 -7.277 -1.370 1.325 1.00 0.00 H CONECT 1 2 29 30 31 CONECT 2 3 CONECT 3 4 4 11 CONECT 4 5 25 CONECT 5 6 6 12 CONECT 6 7 32 CONECT 7 8 11 11 CONECT 8 9 9 33 CONECT 9 10 34 CONECT 10 11 CONECT 12 13 13 14 CONECT 14 15 16 24 CONECT 15 35 CONECT 16 17 17 21 CONECT 17 18 36 CONECT 18 19 19 28 CONECT 19 20 26 CONECT 20 21 21 37 CONECT 21 22 CONECT 22 23 CONECT 23 24 38 39 CONECT 24 25 40 CONECT 26 27 CONECT 27 28 41 42 END