COMPND HMDB0034271 HETATM 1 C1 UNL 1 4.075 -0.550 1.982 1.00 0.00 C HETATM 2 C2 UNL 1 3.282 -0.997 0.751 1.00 0.00 C HETATM 3 C3 UNL 1 3.548 -2.322 0.387 1.00 0.00 C HETATM 4 C4 UNL 1 2.584 -3.090 -0.221 1.00 0.00 C HETATM 5 O1 UNL 1 2.820 -4.394 -0.597 1.00 0.00 O HETATM 6 C5 UNL 1 1.342 -2.521 -0.455 1.00 0.00 C HETATM 7 C6 UNL 1 0.359 -3.310 -1.017 1.00 0.00 C HETATM 8 O2 UNL 1 0.625 -4.481 -1.329 1.00 0.00 O HETATM 9 C7 UNL 1 -0.881 -2.760 -1.208 1.00 0.00 C HETATM 10 C8 UNL 1 -1.886 -3.547 -1.767 1.00 0.00 C HETATM 11 O3 UNL 1 -1.535 -4.849 -2.103 1.00 0.00 O HETATM 12 C9 UNL 1 -3.134 -3.063 -1.971 1.00 0.00 C HETATM 13 C10 UNL 1 -3.470 -1.739 -1.624 1.00 0.00 C HETATM 14 O4 UNL 1 -4.748 -1.388 -1.880 1.00 0.00 O HETATM 15 C11 UNL 1 -2.509 -0.953 -1.078 1.00 0.00 C HETATM 16 C12 UNL 1 -2.775 0.360 -0.703 1.00 0.00 C HETATM 17 C13 UNL 1 -4.002 0.905 -0.893 1.00 0.00 C HETATM 18 O5 UNL 1 -5.073 0.277 -1.430 1.00 0.00 O HETATM 19 C14 UNL 1 -4.215 2.244 -0.506 1.00 0.00 C HETATM 20 C15 UNL 1 -3.218 2.979 0.045 1.00 0.00 C HETATM 21 O6 UNL 1 -3.467 4.297 0.413 1.00 0.00 O HETATM 22 C16 UNL 1 -1.968 2.449 0.246 1.00 0.00 C HETATM 23 C17 UNL 1 -0.992 3.233 0.797 1.00 0.00 C HETATM 24 O7 UNL 1 -1.215 4.430 1.128 1.00 0.00 O HETATM 25 C18 UNL 1 0.266 2.714 0.999 1.00 0.00 C HETATM 26 C19 UNL 1 1.255 3.521 1.511 1.00 0.00 C HETATM 27 O8 UNL 1 0.957 4.822 1.865 1.00 0.00 O HETATM 28 C20 UNL 1 2.524 3.009 1.660 1.00 0.00 C HETATM 29 C21 UNL 1 2.803 1.687 1.304 1.00 0.00 C HETATM 30 C22 UNL 1 4.245 1.486 0.837 1.00 0.00 C HETATM 31 C23 UNL 1 1.828 0.876 0.826 1.00 0.00 C HETATM 32 C24 UNL 1 2.076 -0.431 0.491 1.00 0.00 C HETATM 33 C25 UNL 1 1.060 -1.245 -0.121 1.00 0.00 C HETATM 34 C26 UNL 1 -0.195 -0.678 -0.300 1.00 0.00 C HETATM 35 C27 UNL 1 -1.203 -1.459 -0.866 1.00 0.00 C HETATM 36 C28 UNL 1 -0.465 0.616 0.079 1.00 0.00 C HETATM 37 C29 UNL 1 0.506 1.425 0.644 1.00 0.00 C HETATM 38 C30 UNL 1 -1.733 1.137 -0.124 1.00 0.00 C HETATM 39 H1 UNL 1 3.565 0.044 2.718 1.00 0.00 H HETATM 40 H2 UNL 1 3.954 -1.553 2.641 1.00 0.00 H HETATM 41 H3 UNL 1 5.143 -0.623 1.899 1.00 0.00 H HETATM 42 H4 UNL 1 4.546 -2.719 0.603 1.00 0.00 H HETATM 43 H5 UNL 1 3.672 -4.888 -0.475 1.00 0.00 H HETATM 44 H6 UNL 1 -2.212 -5.492 -2.518 1.00 0.00 H HETATM 45 H7 UNL 1 -3.898 -3.713 -2.414 1.00 0.00 H HETATM 46 H8 UNL 1 -5.434 -2.022 -2.293 1.00 0.00 H HETATM 47 H9 UNL 1 -5.990 0.722 -1.560 1.00 0.00 H HETATM 48 H10 UNL 1 -5.215 2.631 -0.678 1.00 0.00 H HETATM 49 H11 UNL 1 -4.361 4.745 0.293 1.00 0.00 H HETATM 50 H12 UNL 1 1.619 5.483 2.246 1.00 0.00 H HETATM 51 H13 UNL 1 3.350 3.598 2.056 1.00 0.00 H HETATM 52 H14 UNL 1 5.008 1.748 1.548 1.00 0.00 H HETATM 53 H15 UNL 1 4.413 0.858 -0.020 1.00 0.00 H HETATM 54 H16 UNL 1 4.370 2.491 0.182 1.00 0.00 H CONECT 1 2 39 40 41 CONECT 2 3 3 32 CONECT 3 4 42 CONECT 4 5 6 6 CONECT 5 43 CONECT 6 7 33 CONECT 7 8 8 9 CONECT 9 10 35 35 CONECT 10 11 12 12 CONECT 11 44 CONECT 12 13 45 CONECT 13 14 15 15 CONECT 14 46 CONECT 15 16 35 CONECT 16 17 38 38 CONECT 17 18 19 19 CONECT 18 47 CONECT 19 20 48 CONECT 20 21 22 22 CONECT 21 49 CONECT 22 23 38 CONECT 23 24 24 25 CONECT 25 26 26 37 CONECT 26 27 28 CONECT 27 50 CONECT 28 29 29 51 CONECT 29 30 31 CONECT 30 52 53 54 CONECT 31 32 32 37 CONECT 32 33 CONECT 33 34 34 CONECT 34 35 36 CONECT 36 37 37 38 END