COMPND HMDB0030502 HETATM 1 C1 UNL 1 5.377 -0.368 1.836 1.00 0.00 C HETATM 2 O1 UNL 1 5.755 -0.875 0.571 1.00 0.00 O HETATM 3 C2 UNL 1 5.016 -0.453 -0.534 1.00 0.00 C HETATM 4 C3 UNL 1 3.952 0.421 -0.431 1.00 0.00 C HETATM 5 C4 UNL 1 3.208 0.851 -1.505 1.00 0.00 C HETATM 6 C5 UNL 1 2.095 1.779 -1.290 1.00 0.00 C HETATM 7 C6 UNL 1 0.770 1.151 -1.053 1.00 0.00 C HETATM 8 C7 UNL 1 0.693 0.263 0.170 1.00 0.00 C HETATM 9 C8 UNL 1 0.974 0.974 1.440 1.00 0.00 C HETATM 10 C9 UNL 1 -0.202 1.460 2.209 1.00 0.00 C HETATM 11 O2 UNL 1 -0.220 0.885 3.493 1.00 0.00 O HETATM 12 C10 UNL 1 -1.476 1.159 1.488 1.00 0.00 C HETATM 13 C11 UNL 1 -1.459 -0.222 0.910 1.00 0.00 C HETATM 14 C12 UNL 1 -2.739 -0.395 0.159 1.00 0.00 C HETATM 15 C13 UNL 1 -2.909 0.078 -1.125 1.00 0.00 C HETATM 16 C14 UNL 1 -4.092 -0.083 -1.815 1.00 0.00 C HETATM 17 O3 UNL 1 -4.194 0.417 -3.101 1.00 0.00 O HETATM 18 C15 UNL 1 -5.165 -0.729 -1.248 1.00 0.00 C HETATM 19 O4 UNL 1 -6.388 -0.917 -1.911 1.00 0.00 O HETATM 20 C16 UNL 1 -5.011 -1.211 0.044 1.00 0.00 C HETATM 21 O5 UNL 1 -6.065 -1.870 0.658 1.00 0.00 O HETATM 22 C17 UNL 1 -6.007 -2.390 1.952 1.00 0.00 C HETATM 23 C18 UNL 1 -3.825 -1.041 0.714 1.00 0.00 C HETATM 24 O6 UNL 1 -0.411 -0.524 0.101 1.00 0.00 O HETATM 25 C19 UNL 1 3.568 0.363 -2.747 1.00 0.00 C HETATM 26 C20 UNL 1 4.631 -0.515 -2.882 1.00 0.00 C HETATM 27 C21 UNL 1 5.355 -0.925 -1.783 1.00 0.00 C HETATM 28 O7 UNL 1 6.423 -1.809 -1.920 1.00 0.00 O HETATM 29 H1 UNL 1 5.315 0.744 1.848 1.00 0.00 H HETATM 30 H2 UNL 1 4.427 -0.828 2.200 1.00 0.00 H HETATM 31 H3 UNL 1 6.141 -0.621 2.616 1.00 0.00 H HETATM 32 H4 UNL 1 3.729 0.761 0.566 1.00 0.00 H HETATM 33 H5 UNL 1 1.991 2.366 -2.251 1.00 0.00 H HETATM 34 H6 UNL 1 2.410 2.531 -0.550 1.00 0.00 H HETATM 35 H7 UNL 1 0.029 1.957 -0.934 1.00 0.00 H HETATM 36 H8 UNL 1 0.490 0.576 -1.950 1.00 0.00 H HETATM 37 H9 UNL 1 1.582 -0.453 0.023 1.00 0.00 H HETATM 38 H10 UNL 1 1.700 1.795 1.203 1.00 0.00 H HETATM 39 H11 UNL 1 1.577 0.298 2.116 1.00 0.00 H HETATM 40 H12 UNL 1 -0.191 2.556 2.395 1.00 0.00 H HETATM 41 H13 UNL 1 -1.164 0.974 3.800 1.00 0.00 H HETATM 42 H14 UNL 1 -1.722 1.870 0.676 1.00 0.00 H HETATM 43 H15 UNL 1 -2.342 1.199 2.188 1.00 0.00 H HETATM 44 H16 UNL 1 -1.462 -0.951 1.755 1.00 0.00 H HETATM 45 H17 UNL 1 -2.061 0.593 -1.585 1.00 0.00 H HETATM 46 H18 UNL 1 -4.987 0.367 -3.704 1.00 0.00 H HETATM 47 H19 UNL 1 -6.551 -0.587 -2.848 1.00 0.00 H HETATM 48 H20 UNL 1 -5.014 -2.920 2.049 1.00 0.00 H HETATM 49 H21 UNL 1 -5.994 -1.608 2.733 1.00 0.00 H HETATM 50 H22 UNL 1 -6.762 -3.171 2.143 1.00 0.00 H HETATM 51 H23 UNL 1 -3.679 -1.412 1.733 1.00 0.00 H HETATM 52 H24 UNL 1 3.014 0.674 -3.611 1.00 0.00 H HETATM 53 H25 UNL 1 4.899 -0.887 -3.865 1.00 0.00 H HETATM 54 H26 UNL 1 6.972 -2.129 -1.142 1.00 0.00 H CONECT 1 2 29 30 31 CONECT 2 3 CONECT 3 4 4 27 CONECT 4 5 32 CONECT 5 6 25 25 CONECT 6 7 33 34 CONECT 7 8 35 36 CONECT 8 9 24 37 CONECT 9 10 38 39 CONECT 10 11 12 40 CONECT 11 41 CONECT 12 13 42 43 CONECT 13 14 24 44 CONECT 14 15 15 23 CONECT 15 16 45 CONECT 16 17 18 18 CONECT 17 46 CONECT 18 19 20 CONECT 19 47 CONECT 20 21 23 23 CONECT 21 22 CONECT 22 48 49 50 CONECT 23 51 CONECT 25 26 52 CONECT 26 27 27 53 CONECT 27 28 CONECT 28 54 END