COMPND HMDB0037080 HETATM 1 C1 UNL 1 6.240 -3.888 0.100 1.00 0.00 C HETATM 2 O1 UNL 1 6.283 -2.490 0.300 1.00 0.00 O HETATM 3 C2 UNL 1 5.138 -1.841 0.736 1.00 0.00 C HETATM 4 C3 UNL 1 4.940 -1.713 2.091 1.00 0.00 C HETATM 5 O2 UNL 1 5.842 -2.209 3.019 1.00 0.00 O HETATM 6 C4 UNL 1 3.770 -1.051 2.484 1.00 0.00 C HETATM 7 C5 UNL 1 2.865 -0.554 1.572 1.00 0.00 C HETATM 8 C6 UNL 1 1.698 0.102 1.911 1.00 0.00 C HETATM 9 O3 UNL 1 1.481 0.240 3.140 1.00 0.00 O HETATM 10 O4 UNL 1 0.846 0.564 1.018 1.00 0.00 O HETATM 11 C7 UNL 1 1.023 0.449 -0.278 1.00 0.00 C HETATM 12 C8 UNL 1 0.111 0.945 -1.217 1.00 0.00 C HETATM 13 O5 UNL 1 -1.014 1.577 -0.771 1.00 0.00 O HETATM 14 C9 UNL 1 -2.184 0.831 -0.479 1.00 0.00 C HETATM 15 O6 UNL 1 -3.081 0.981 -1.501 1.00 0.00 O HETATM 16 C10 UNL 1 -4.309 1.487 -1.205 1.00 0.00 C HETATM 17 C11 UNL 1 -4.913 1.985 -2.520 1.00 0.00 C HETATM 18 C12 UNL 1 -4.071 2.727 -0.333 1.00 0.00 C HETATM 19 O7 UNL 1 -2.959 3.387 -0.851 1.00 0.00 O HETATM 20 C13 UNL 1 -3.706 2.188 1.020 1.00 0.00 C HETATM 21 O8 UNL 1 -4.874 1.699 1.650 1.00 0.00 O HETATM 22 C14 UNL 1 -2.696 1.071 0.899 1.00 0.00 C HETATM 23 O9 UNL 1 -3.172 -0.138 1.442 1.00 0.00 O HETATM 24 C15 UNL 1 -2.569 -0.650 2.573 1.00 0.00 C HETATM 25 C16 UNL 1 -2.995 -1.908 3.205 1.00 0.00 C HETATM 26 O10 UNL 1 -1.598 -0.027 3.112 1.00 0.00 O HETATM 27 C17 UNL 1 0.329 0.807 -2.575 1.00 0.00 C HETATM 28 O11 UNL 1 -0.530 1.276 -3.550 1.00 0.00 O HETATM 29 C18 UNL 1 1.500 0.148 -2.967 1.00 0.00 C HETATM 30 C19 UNL 1 2.396 -0.340 -2.039 1.00 0.00 C HETATM 31 C20 UNL 1 3.562 -0.998 -2.393 1.00 0.00 C HETATM 32 O12 UNL 1 3.777 -1.134 -3.619 1.00 0.00 O HETATM 33 O13 UNL 1 4.407 -1.459 -1.492 1.00 0.00 O HETATM 34 C21 UNL 1 4.234 -1.345 -0.195 1.00 0.00 C HETATM 35 C22 UNL 1 3.088 -0.696 0.212 1.00 0.00 C HETATM 36 C23 UNL 1 2.170 -0.196 -0.684 1.00 0.00 C HETATM 37 H1 UNL 1 6.080 -4.158 -0.977 1.00 0.00 H HETATM 38 H2 UNL 1 7.215 -4.293 0.471 1.00 0.00 H HETATM 39 H3 UNL 1 5.426 -4.340 0.707 1.00 0.00 H HETATM 40 H4 UNL 1 5.719 -2.127 4.012 1.00 0.00 H HETATM 41 H5 UNL 1 3.575 -0.930 3.542 1.00 0.00 H HETATM 42 H6 UNL 1 -1.868 -0.259 -0.531 1.00 0.00 H HETATM 43 H7 UNL 1 -4.978 0.803 -0.673 1.00 0.00 H HETATM 44 H8 UNL 1 -5.981 1.723 -2.501 1.00 0.00 H HETATM 45 H9 UNL 1 -4.774 3.057 -2.654 1.00 0.00 H HETATM 46 H10 UNL 1 -4.389 1.502 -3.396 1.00 0.00 H HETATM 47 H11 UNL 1 -4.971 3.366 -0.279 1.00 0.00 H HETATM 48 H12 UNL 1 -2.435 3.874 -0.189 1.00 0.00 H HETATM 49 H13 UNL 1 -3.360 3.027 1.651 1.00 0.00 H HETATM 50 H14 UNL 1 -5.406 2.446 2.022 1.00 0.00 H HETATM 51 H15 UNL 1 -1.827 1.401 1.528 1.00 0.00 H HETATM 52 H16 UNL 1 -2.391 -2.158 4.101 1.00 0.00 H HETATM 53 H17 UNL 1 -4.042 -1.778 3.553 1.00 0.00 H HETATM 54 H18 UNL 1 -2.937 -2.767 2.520 1.00 0.00 H HETATM 55 H19 UNL 1 -1.379 1.761 -3.441 1.00 0.00 H HETATM 56 H20 UNL 1 1.693 0.026 -4.029 1.00 0.00 H CONECT 1 2 37 38 39 CONECT 2 3 CONECT 3 4 4 34 CONECT 4 5 6 CONECT 5 40 CONECT 6 7 7 41 CONECT 7 8 35 CONECT 8 9 9 10 CONECT 10 11 CONECT 11 12 36 36 CONECT 12 13 27 27 CONECT 13 14 CONECT 14 15 22 42 CONECT 15 16 CONECT 16 17 18 43 CONECT 17 44 45 46 CONECT 18 19 20 47 CONECT 19 48 CONECT 20 21 22 49 CONECT 21 50 CONECT 22 23 51 CONECT 23 24 CONECT 24 25 26 26 CONECT 25 52 53 54 CONECT 27 28 29 CONECT 28 55 CONECT 29 30 30 56 CONECT 30 31 36 CONECT 31 32 32 33 CONECT 33 34 CONECT 34 35 35 CONECT 35 36 END