COMPND HMDB0041166 HETATM 1 C1 UNL 1 -7.681 -2.759 -1.182 1.00 0.00 C HETATM 2 O1 UNL 1 -6.481 -3.495 -1.464 1.00 0.00 O HETATM 3 C2 UNL 1 -5.254 -2.855 -1.211 1.00 0.00 C HETATM 4 C3 UNL 1 -4.115 -3.576 -1.488 1.00 0.00 C HETATM 5 C4 UNL 1 -2.868 -3.020 -1.268 1.00 0.00 C HETATM 6 C5 UNL 1 -2.795 -1.724 -0.762 1.00 0.00 C HETATM 7 C6 UNL 1 -3.935 -0.995 -0.482 1.00 0.00 C HETATM 8 C7 UNL 1 -5.190 -1.580 -0.714 1.00 0.00 C HETATM 9 O2 UNL 1 -3.840 0.274 0.013 1.00 0.00 O HETATM 10 C8 UNL 1 -2.660 0.939 0.280 1.00 0.00 C HETATM 11 C9 UNL 1 -2.623 1.478 1.682 1.00 0.00 C HETATM 12 C10 UNL 1 -3.116 2.696 1.876 1.00 0.00 C HETATM 13 C11 UNL 1 -3.684 3.513 0.772 1.00 0.00 C HETATM 14 C12 UNL 1 -3.118 3.312 3.253 1.00 0.00 C HETATM 15 C13 UNL 1 -1.452 0.159 -0.021 1.00 0.00 C HETATM 16 C14 UNL 1 -1.496 -1.103 -0.515 1.00 0.00 C HETATM 17 O3 UNL 1 -0.417 -1.825 -0.793 1.00 0.00 O HETATM 18 C15 UNL 1 0.769 -1.354 -0.605 1.00 0.00 C HETATM 19 C16 UNL 1 1.855 -2.132 -0.905 1.00 0.00 C HETATM 20 C17 UNL 1 3.116 -1.596 -0.691 1.00 0.00 C HETATM 21 O4 UNL 1 4.182 -2.425 -1.011 1.00 0.00 O HETATM 22 C18 UNL 1 3.336 -0.332 -0.196 1.00 0.00 C HETATM 23 C19 UNL 1 4.650 0.237 0.030 1.00 0.00 C HETATM 24 C20 UNL 1 5.810 -0.304 -0.179 1.00 0.00 C HETATM 25 C21 UNL 1 7.103 0.418 0.108 1.00 0.00 C HETATM 26 C22 UNL 1 6.821 1.735 0.746 1.00 0.00 C HETATM 27 C23 UNL 1 7.947 0.580 -1.109 1.00 0.00 C HETATM 28 C24 UNL 1 2.193 0.421 0.094 1.00 0.00 C HETATM 29 O5 UNL 1 2.293 1.681 0.587 1.00 0.00 O HETATM 30 C25 UNL 1 0.912 -0.083 -0.108 1.00 0.00 C HETATM 31 C26 UNL 1 -0.176 0.692 0.192 1.00 0.00 C HETATM 32 O6 UNL 1 -0.074 1.846 0.643 1.00 0.00 O HETATM 33 H1 UNL 1 -7.730 -1.934 -1.910 1.00 0.00 H HETATM 34 H2 UNL 1 -8.553 -3.430 -1.283 1.00 0.00 H HETATM 35 H3 UNL 1 -7.678 -2.394 -0.127 1.00 0.00 H HETATM 36 H4 UNL 1 -4.139 -4.586 -1.882 1.00 0.00 H HETATM 37 H5 UNL 1 -1.950 -3.529 -1.463 1.00 0.00 H HETATM 38 H6 UNL 1 -6.091 -1.023 -0.500 1.00 0.00 H HETATM 39 H7 UNL 1 -2.632 1.813 -0.434 1.00 0.00 H HETATM 40 H8 UNL 1 -2.205 0.854 2.445 1.00 0.00 H HETATM 41 H9 UNL 1 -2.882 3.947 0.130 1.00 0.00 H HETATM 42 H10 UNL 1 -4.347 4.284 1.176 1.00 0.00 H HETATM 43 H11 UNL 1 -4.322 2.849 0.137 1.00 0.00 H HETATM 44 H12 UNL 1 -3.081 2.535 4.043 1.00 0.00 H HETATM 45 H13 UNL 1 -2.286 4.047 3.357 1.00 0.00 H HETATM 46 H14 UNL 1 -4.058 3.904 3.329 1.00 0.00 H HETATM 47 H15 UNL 1 1.719 -3.123 -1.292 1.00 0.00 H HETATM 48 H16 UNL 1 4.093 -3.347 -1.372 1.00 0.00 H HETATM 49 H17 UNL 1 4.690 1.263 0.431 1.00 0.00 H HETATM 50 H18 UNL 1 5.860 -1.303 -0.570 1.00 0.00 H HETATM 51 H19 UNL 1 7.638 -0.211 0.845 1.00 0.00 H HETATM 52 H20 UNL 1 6.220 1.660 1.671 1.00 0.00 H HETATM 53 H21 UNL 1 7.779 2.239 1.061 1.00 0.00 H HETATM 54 H22 UNL 1 6.279 2.440 0.064 1.00 0.00 H HETATM 55 H23 UNL 1 7.634 1.516 -1.660 1.00 0.00 H HETATM 56 H24 UNL 1 7.967 -0.299 -1.774 1.00 0.00 H HETATM 57 H25 UNL 1 8.993 0.767 -0.800 1.00 0.00 H HETATM 58 H26 UNL 1 3.073 2.236 0.806 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 CONECT 3 4 4 8 CONECT 4 5 36 CONECT 5 6 6 37 CONECT 6 7 16 CONECT 7 8 8 9 CONECT 8 38 CONECT 9 10 CONECT 10 11 15 39 CONECT 11 12 12 40 CONECT 12 13 14 CONECT 13 41 42 43 CONECT 14 44 45 46 CONECT 15 16 16 31 CONECT 16 17 CONECT 17 18 CONECT 18 19 19 30 CONECT 19 20 47 CONECT 20 21 22 22 CONECT 21 48 CONECT 22 23 28 CONECT 23 24 24 49 CONECT 24 25 50 CONECT 25 26 27 51 CONECT 26 52 53 54 CONECT 27 55 56 57 CONECT 28 29 30 30 CONECT 29 58 CONECT 30 31 CONECT 31 32 32 END