COMPND HMDB0060299 HETATM 1 N1 UNL 1 5.673 -3.093 -0.676 1.00 0.00 N HETATM 2 C1 UNL 1 5.868 -1.654 -0.708 1.00 0.00 C HETATM 3 C2 UNL 1 4.691 -0.944 -0.075 1.00 0.00 C HETATM 4 C3 UNL 1 3.412 -1.270 -0.819 1.00 0.00 C HETATM 5 C4 UNL 1 2.244 -0.574 -0.202 1.00 0.00 C HETATM 6 O1 UNL 1 1.993 -0.888 1.132 1.00 0.00 O HETATM 7 N2 UNL 1 1.565 0.238 -0.901 1.00 0.00 N HETATM 8 C5 UNL 1 0.424 0.999 -0.515 1.00 0.00 C HETATM 9 C6 UNL 1 -0.679 0.078 -0.028 1.00 0.00 C HETATM 10 S1 UNL 1 -2.136 1.016 0.468 1.00 0.00 S HETATM 11 C7 UNL 1 -3.434 -0.126 0.975 1.00 0.00 C HETATM 12 C8 UNL 1 -4.071 -0.844 -0.147 1.00 0.00 C HETATM 13 C9 UNL 1 -3.546 -0.776 -1.423 1.00 0.00 C HETATM 14 C10 UNL 1 -4.052 -1.623 -2.414 1.00 0.00 C HETATM 15 C11 UNL 1 -5.061 -2.501 -2.084 1.00 0.00 C HETATM 16 C12 UNL 1 -5.572 -2.547 -0.805 1.00 0.00 C HETATM 17 C13 UNL 1 -5.082 -1.711 0.183 1.00 0.00 C HETATM 18 C14 UNL 1 -5.779 -1.592 1.477 1.00 0.00 C HETATM 19 C15 UNL 1 -5.431 -0.619 2.302 1.00 0.00 C HETATM 20 C16 UNL 1 -4.380 0.363 1.970 1.00 0.00 C HETATM 21 O2 UNL 1 -3.775 0.845 3.141 1.00 0.00 O HETATM 22 C17 UNL 1 0.675 1.978 0.545 1.00 0.00 C HETATM 23 O3 UNL 1 1.119 1.543 1.782 1.00 0.00 O HETATM 24 N3 UNL 1 0.487 3.235 0.339 1.00 0.00 N HETATM 25 C18 UNL 1 0.029 3.696 -0.932 1.00 0.00 C HETATM 26 C19 UNL 1 -0.010 5.168 -0.954 1.00 0.00 C HETATM 27 O4 UNL 1 -0.397 5.771 -2.013 1.00 0.00 O HETATM 28 O5 UNL 1 0.371 5.869 0.173 1.00 0.00 O HETATM 29 C20 UNL 1 7.124 -1.261 -0.038 1.00 0.00 C HETATM 30 O6 UNL 1 7.909 -2.119 0.481 1.00 0.00 O HETATM 31 O7 UNL 1 7.443 0.082 0.020 1.00 0.00 O HETATM 32 H1 UNL 1 5.413 -3.388 0.288 1.00 0.00 H HETATM 33 H2 UNL 1 6.600 -3.536 -0.931 1.00 0.00 H HETATM 34 H3 UNL 1 5.960 -1.364 -1.788 1.00 0.00 H HETATM 35 H4 UNL 1 4.902 0.158 -0.172 1.00 0.00 H HETATM 36 H5 UNL 1 4.626 -1.241 0.978 1.00 0.00 H HETATM 37 H6 UNL 1 3.512 -1.002 -1.884 1.00 0.00 H HETATM 38 H7 UNL 1 3.268 -2.372 -0.758 1.00 0.00 H HETATM 39 H8 UNL 1 2.673 -0.717 1.876 1.00 0.00 H HETATM 40 H9 UNL 1 0.012 1.488 -1.436 1.00 0.00 H HETATM 41 H10 UNL 1 -0.277 -0.393 0.932 1.00 0.00 H HETATM 42 H11 UNL 1 -0.835 -0.730 -0.733 1.00 0.00 H HETATM 43 H12 UNL 1 -2.871 -1.000 1.518 1.00 0.00 H HETATM 44 H13 UNL 1 -2.772 -0.080 -1.709 1.00 0.00 H HETATM 45 H14 UNL 1 -3.626 -1.553 -3.407 1.00 0.00 H HETATM 46 H15 UNL 1 -5.440 -3.149 -2.848 1.00 0.00 H HETATM 47 H16 UNL 1 -6.372 -3.235 -0.523 1.00 0.00 H HETATM 48 H17 UNL 1 -6.541 -2.317 1.672 1.00 0.00 H HETATM 49 H18 UNL 1 -5.959 -0.565 3.261 1.00 0.00 H HETATM 50 H19 UNL 1 -4.909 1.266 1.511 1.00 0.00 H HETATM 51 H20 UNL 1 -4.361 1.548 3.531 1.00 0.00 H HETATM 52 H21 UNL 1 2.086 1.715 2.022 1.00 0.00 H HETATM 53 H22 UNL 1 0.709 3.375 -1.769 1.00 0.00 H HETATM 54 H23 UNL 1 -0.977 3.274 -1.197 1.00 0.00 H HETATM 55 H24 UNL 1 -0.325 6.469 0.606 1.00 0.00 H HETATM 56 H25 UNL 1 7.881 0.611 -0.702 1.00 0.00 H CONECT 1 2 32 33 CONECT 2 3 29 34 CONECT 3 4 35 36 CONECT 4 5 37 38 CONECT 5 6 7 7 CONECT 6 39 CONECT 7 8 CONECT 8 9 22 40 CONECT 9 10 41 42 CONECT 10 11 CONECT 11 12 20 43 CONECT 12 13 13 17 CONECT 13 14 44 CONECT 14 15 15 45 CONECT 15 16 46 CONECT 16 17 17 47 CONECT 17 18 CONECT 18 19 19 48 CONECT 19 20 49 CONECT 20 21 50 CONECT 21 51 CONECT 22 23 24 24 CONECT 23 52 CONECT 24 25 CONECT 25 26 53 54 CONECT 26 27 27 28 CONECT 28 55 CONECT 29 30 30 31 CONECT 31 56 END