COMPND HMDB0034112 HETATM 1 C1 UNL 1 8.178 0.964 -0.513 1.00 0.00 C HETATM 2 O1 UNL 1 6.861 1.256 -0.832 1.00 0.00 O HETATM 3 C2 UNL 1 5.724 0.525 -0.570 1.00 0.00 C HETATM 4 C3 UNL 1 5.787 -0.682 0.085 1.00 0.00 C HETATM 5 C4 UNL 1 4.582 -1.366 0.319 1.00 0.00 C HETATM 6 C5 UNL 1 3.385 -0.872 -0.077 1.00 0.00 C HETATM 7 C6 UNL 1 3.328 0.339 -0.733 1.00 0.00 C HETATM 8 C7 UNL 1 4.485 1.036 -0.983 1.00 0.00 C HETATM 9 O2 UNL 1 1.951 0.607 -1.021 1.00 0.00 O HETATM 10 C8 UNL 1 1.321 0.042 0.112 1.00 0.00 C HETATM 11 C9 UNL 1 -0.098 -0.158 0.102 1.00 0.00 C HETATM 12 C10 UNL 1 -1.014 0.725 -0.453 1.00 0.00 C HETATM 13 C11 UNL 1 -2.377 0.546 -0.402 1.00 0.00 C HETATM 14 C12 UNL 1 -3.501 1.225 -0.839 1.00 0.00 C HETATM 15 C13 UNL 1 -4.606 0.489 -0.448 1.00 0.00 C HETATM 16 C14 UNL 1 -6.055 0.806 -0.680 1.00 0.00 C HETATM 17 C15 UNL 1 -6.375 2.194 -0.117 1.00 0.00 C HETATM 18 C16 UNL 1 -6.861 -0.210 0.148 1.00 0.00 C HETATM 19 O3 UNL 1 -6.386 0.675 -2.001 1.00 0.00 O HETATM 20 O4 UNL 1 -4.138 -0.560 0.180 1.00 0.00 O HETATM 21 C17 UNL 1 -2.834 -0.577 0.237 1.00 0.00 C HETATM 22 C18 UNL 1 -1.960 -1.500 0.809 1.00 0.00 C HETATM 23 C19 UNL 1 -0.597 -1.287 0.740 1.00 0.00 C HETATM 24 O5 UNL 1 0.278 -2.232 1.324 1.00 0.00 O HETATM 25 C20 UNL 1 1.680 -1.984 1.364 1.00 0.00 C HETATM 26 C21 UNL 1 2.003 -1.340 0.046 1.00 0.00 C HETATM 27 O6 UNL 1 1.540 -2.096 -0.991 1.00 0.00 O HETATM 28 H1 UNL 1 8.215 0.117 0.199 1.00 0.00 H HETATM 29 H2 UNL 1 8.806 0.669 -1.396 1.00 0.00 H HETATM 30 H3 UNL 1 8.657 1.882 -0.034 1.00 0.00 H HETATM 31 H4 UNL 1 6.709 -1.126 0.425 1.00 0.00 H HETATM 32 H5 UNL 1 4.703 -2.321 0.847 1.00 0.00 H HETATM 33 H6 UNL 1 4.506 1.980 -1.498 1.00 0.00 H HETATM 34 H7 UNL 1 1.649 0.547 1.051 1.00 0.00 H HETATM 35 H8 UNL 1 -0.633 1.613 -0.959 1.00 0.00 H HETATM 36 H9 UNL 1 -3.500 2.159 -1.388 1.00 0.00 H HETATM 37 H10 UNL 1 -6.013 2.223 0.932 1.00 0.00 H HETATM 38 H11 UNL 1 -5.880 2.973 -0.694 1.00 0.00 H HETATM 39 H12 UNL 1 -7.479 2.254 -0.081 1.00 0.00 H HETATM 40 H13 UNL 1 -6.416 -1.215 -0.063 1.00 0.00 H HETATM 41 H14 UNL 1 -7.925 -0.159 -0.072 1.00 0.00 H HETATM 42 H15 UNL 1 -6.613 0.035 1.221 1.00 0.00 H HETATM 43 H16 UNL 1 -6.034 -0.194 -2.327 1.00 0.00 H HETATM 44 H17 UNL 1 -2.336 -2.393 1.312 1.00 0.00 H HETATM 45 H18 UNL 1 1.830 -1.211 2.167 1.00 0.00 H HETATM 46 H19 UNL 1 2.255 -2.871 1.615 1.00 0.00 H HETATM 47 H20 UNL 1 1.198 -1.528 -1.715 1.00 0.00 H CONECT 1 2 28 29 30 CONECT 2 3 CONECT 3 4 4 8 CONECT 4 5 31 CONECT 5 6 6 32 CONECT 6 7 26 CONECT 7 8 8 9 CONECT 8 33 CONECT 9 10 CONECT 10 11 26 34 CONECT 11 12 12 23 CONECT 12 13 35 CONECT 13 14 21 21 CONECT 14 15 15 36 CONECT 15 16 20 CONECT 16 17 18 19 CONECT 17 37 38 39 CONECT 18 40 41 42 CONECT 19 43 CONECT 20 21 CONECT 21 22 CONECT 22 23 23 44 CONECT 23 24 CONECT 24 25 CONECT 25 26 45 46 CONECT 26 27 CONECT 27 47 END