COMPND HMDB0030775 HETATM 1 O1 UNL 1 0.081 -2.838 1.613 1.00 0.00 O HETATM 2 C1 UNL 1 0.966 -2.003 1.369 1.00 0.00 C HETATM 3 C2 UNL 1 0.695 -0.666 1.060 1.00 0.00 C HETATM 4 O2 UNL 1 -0.614 -0.279 1.022 1.00 0.00 O HETATM 5 C3 UNL 1 -1.423 -0.418 -0.141 1.00 0.00 C HETATM 6 O3 UNL 1 -2.078 0.755 -0.436 1.00 0.00 O HETATM 7 C4 UNL 1 -2.617 0.662 -1.717 1.00 0.00 C HETATM 8 C5 UNL 1 -3.209 1.999 -2.140 1.00 0.00 C HETATM 9 O4 UNL 1 -3.747 1.930 -3.403 1.00 0.00 O HETATM 10 C6 UNL 1 -3.638 -0.430 -1.818 1.00 0.00 C HETATM 11 O5 UNL 1 -4.867 -0.010 -2.285 1.00 0.00 O HETATM 12 C7 UNL 1 -3.854 -0.992 -0.423 1.00 0.00 C HETATM 13 O6 UNL 1 -4.448 -0.072 0.416 1.00 0.00 O HETATM 14 C8 UNL 1 -2.510 -1.463 0.090 1.00 0.00 C HETATM 15 O7 UNL 1 -2.212 -2.635 -0.605 1.00 0.00 O HETATM 16 C9 UNL 1 1.735 0.158 0.814 1.00 0.00 C HETATM 17 C10 UNL 1 1.606 1.562 0.487 1.00 0.00 C HETATM 18 C11 UNL 1 2.694 2.254 -0.062 1.00 0.00 C HETATM 19 C12 UNL 1 2.668 3.596 -0.347 1.00 0.00 C HETATM 20 C13 UNL 1 1.526 4.368 -0.099 1.00 0.00 C HETATM 21 O8 UNL 1 1.533 5.722 -0.400 1.00 0.00 O HETATM 22 C14 UNL 1 0.449 3.715 0.439 1.00 0.00 C HETATM 23 O9 UNL 1 -0.722 4.410 0.714 1.00 0.00 O HETATM 24 C15 UNL 1 0.504 2.331 0.723 1.00 0.00 C HETATM 25 O10 UNL 1 3.005 -0.303 0.860 1.00 0.00 O HETATM 26 C16 UNL 1 3.316 -1.527 1.138 1.00 0.00 C HETATM 27 C17 UNL 1 4.633 -1.939 1.170 1.00 0.00 C HETATM 28 C18 UNL 1 4.959 -3.256 1.470 1.00 0.00 C HETATM 29 O11 UNL 1 6.281 -3.698 1.509 1.00 0.00 O HETATM 30 C19 UNL 1 3.936 -4.138 1.733 1.00 0.00 C HETATM 31 C20 UNL 1 2.635 -3.708 1.695 1.00 0.00 C HETATM 32 O12 UNL 1 1.593 -4.606 1.963 1.00 0.00 O HETATM 33 C21 UNL 1 2.285 -2.403 1.400 1.00 0.00 C HETATM 34 H1 UNL 1 -0.831 -0.765 -1.004 1.00 0.00 H HETATM 35 H2 UNL 1 -1.749 0.476 -2.409 1.00 0.00 H HETATM 36 H3 UNL 1 -2.407 2.763 -2.156 1.00 0.00 H HETATM 37 H4 UNL 1 -3.994 2.258 -1.406 1.00 0.00 H HETATM 38 H5 UNL 1 -4.401 2.636 -3.534 1.00 0.00 H HETATM 39 H6 UNL 1 -3.269 -1.231 -2.475 1.00 0.00 H HETATM 40 H7 UNL 1 -5.568 -0.582 -1.908 1.00 0.00 H HETATM 41 H8 UNL 1 -4.493 -1.907 -0.564 1.00 0.00 H HETATM 42 H9 UNL 1 -5.041 0.550 -0.079 1.00 0.00 H HETATM 43 H10 UNL 1 -2.640 -1.664 1.183 1.00 0.00 H HETATM 44 H11 UNL 1 -1.651 -2.435 -1.385 1.00 0.00 H HETATM 45 H12 UNL 1 3.600 1.665 -0.266 1.00 0.00 H HETATM 46 H13 UNL 1 3.508 4.127 -0.770 1.00 0.00 H HETATM 47 H14 UNL 1 0.767 6.346 -0.257 1.00 0.00 H HETATM 48 H15 UNL 1 -0.775 5.386 0.519 1.00 0.00 H HETATM 49 H16 UNL 1 -0.363 1.915 1.170 1.00 0.00 H HETATM 50 H17 UNL 1 5.436 -1.252 0.965 1.00 0.00 H HETATM 51 H18 UNL 1 6.756 -3.629 2.413 1.00 0.00 H HETATM 52 H19 UNL 1 4.142 -5.162 1.968 1.00 0.00 H HETATM 53 H20 UNL 1 1.809 -5.573 2.184 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 33 CONECT 3 4 16 16 CONECT 4 5 CONECT 5 6 14 34 CONECT 6 7 CONECT 7 8 10 35 CONECT 8 9 36 37 CONECT 9 38 CONECT 10 11 12 39 CONECT 11 40 CONECT 12 13 14 41 CONECT 13 42 CONECT 14 15 43 CONECT 15 44 CONECT 16 17 25 CONECT 17 18 18 24 CONECT 18 19 45 CONECT 19 20 20 46 CONECT 20 21 22 CONECT 21 47 CONECT 22 23 24 24 CONECT 23 48 CONECT 24 49 CONECT 25 26 CONECT 26 27 27 33 CONECT 27 28 50 CONECT 28 29 30 30 CONECT 29 51 CONECT 30 31 52 CONECT 31 32 33 33 CONECT 32 53 END