COMPND HMDB0003072 HETATM 1 O1 UNL 1 3.333 -0.937 0.087 1.00 0.00 O HETATM 2 C1 UNL 1 2.260 -0.365 0.335 1.00 0.00 C HETATM 3 O2 UNL 1 2.167 0.557 1.367 1.00 0.00 O HETATM 4 C2 UNL 1 1.028 -0.632 -0.450 1.00 0.00 C HETATM 5 O3 UNL 1 1.361 -1.580 -1.418 1.00 0.00 O HETATM 6 C3 UNL 1 0.540 0.611 -1.102 1.00 0.00 C HETATM 7 C4 UNL 1 -0.549 1.348 -0.462 1.00 0.00 C HETATM 8 O4 UNL 1 -1.389 1.933 -1.444 1.00 0.00 O HETATM 9 C5 UNL 1 -1.425 0.596 0.469 1.00 0.00 C HETATM 10 O5 UNL 1 -2.715 1.063 0.543 1.00 0.00 O HETATM 11 C6 UNL 1 -1.376 -0.890 0.116 1.00 0.00 C HETATM 12 O6 UNL 1 -2.270 -1.621 0.880 1.00 0.00 O HETATM 13 C7 UNL 1 0.048 -1.291 0.481 1.00 0.00 C HETATM 14 H1 UNL 1 3.015 0.877 1.848 1.00 0.00 H HETATM 15 H2 UNL 1 2.291 -1.471 -1.736 1.00 0.00 H HETATM 16 H3 UNL 1 1.430 1.301 -1.208 1.00 0.00 H HETATM 17 H4 UNL 1 0.265 0.379 -2.165 1.00 0.00 H HETATM 18 H5 UNL 1 -0.155 2.239 0.113 1.00 0.00 H HETATM 19 H6 UNL 1 -0.896 2.623 -1.956 1.00 0.00 H HETATM 20 H7 UNL 1 -0.978 0.667 1.498 1.00 0.00 H HETATM 21 H8 UNL 1 -3.062 0.921 1.452 1.00 0.00 H HETATM 22 H9 UNL 1 -1.484 -1.028 -0.963 1.00 0.00 H HETATM 23 H10 UNL 1 -1.864 -1.971 1.711 1.00 0.00 H HETATM 24 H11 UNL 1 0.245 -0.938 1.516 1.00 0.00 H HETATM 25 H12 UNL 1 0.178 -2.390 0.488 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 14 CONECT 4 5 6 13 CONECT 5 15 CONECT 6 7 16 17 CONECT 7 8 9 18 CONECT 8 19 CONECT 9 10 11 20 CONECT 10 21 CONECT 11 12 13 22 CONECT 12 23 CONECT 13 24 25 END