COMPND HMDB0061062 HETATM 1 C1 UNL 1 -2.377 0.648 1.082 1.00 0.00 C HETATM 2 N1 UNL 1 -2.460 -0.430 0.349 1.00 0.00 N HETATM 3 C2 UNL 1 -2.361 -1.765 0.617 1.00 0.00 C HETATM 4 C3 UNL 1 -3.836 -2.196 0.491 1.00 0.00 C HETATM 5 C4 UNL 1 -4.822 -1.031 0.403 1.00 0.00 C HETATM 6 C5 UNL 1 -4.398 0.026 -0.657 1.00 0.00 C HETATM 7 C6 UNL 1 -3.092 -0.412 -0.990 1.00 0.00 C HETATM 8 C7 UNL 1 -1.986 -0.032 -1.792 1.00 0.00 C HETATM 9 C8 UNL 1 -0.958 -1.146 -1.453 1.00 0.00 C HETATM 10 N2 UNL 1 0.251 -0.613 -0.917 1.00 0.00 N HETATM 11 C9 UNL 1 0.907 0.301 -1.543 1.00 0.00 C HETATM 12 O1 UNL 1 0.448 0.786 -2.755 1.00 0.00 O HETATM 13 C10 UNL 1 2.144 0.851 -1.003 1.00 0.00 C HETATM 14 N3 UNL 1 2.936 1.787 -1.514 1.00 0.00 N HETATM 15 N4 UNL 1 3.984 2.016 -0.707 1.00 0.00 N HETATM 16 C11 UNL 1 5.025 2.984 -0.993 1.00 0.00 C HETATM 17 C12 UNL 1 3.900 1.221 0.367 1.00 0.00 C HETATM 18 C13 UNL 1 4.702 1.062 1.474 1.00 0.00 C HETATM 19 O2 UNL 1 5.868 1.815 1.640 1.00 0.00 O HETATM 20 C14 UNL 1 4.368 0.148 2.451 1.00 0.00 C HETATM 21 C15 UNL 1 3.214 -0.611 2.308 1.00 0.00 C HETATM 22 C16 UNL 1 2.430 -0.425 1.180 1.00 0.00 C HETATM 23 C17 UNL 1 2.734 0.474 0.192 1.00 0.00 C HETATM 24 C18 UNL 1 -1.545 -2.256 -0.599 1.00 0.00 C HETATM 25 H1 UNL 1 -2.768 1.568 0.551 1.00 0.00 H HETATM 26 H2 UNL 1 -3.007 0.617 2.024 1.00 0.00 H HETATM 27 H3 UNL 1 -1.372 0.998 1.471 1.00 0.00 H HETATM 28 H4 UNL 1 -1.917 -2.053 1.565 1.00 0.00 H HETATM 29 H5 UNL 1 -4.079 -2.652 1.499 1.00 0.00 H HETATM 30 H6 UNL 1 -4.002 -2.983 -0.228 1.00 0.00 H HETATM 31 H7 UNL 1 -5.759 -1.468 0.067 1.00 0.00 H HETATM 32 H8 UNL 1 -4.996 -0.554 1.375 1.00 0.00 H HETATM 33 H9 UNL 1 -4.573 1.022 -0.218 1.00 0.00 H HETATM 34 H10 UNL 1 -5.099 -0.035 -1.538 1.00 0.00 H HETATM 35 H11 UNL 1 -3.307 -1.467 -1.376 1.00 0.00 H HETATM 36 H12 UNL 1 -2.118 0.075 -2.872 1.00 0.00 H HETATM 37 H13 UNL 1 -1.507 0.911 -1.437 1.00 0.00 H HETATM 38 H14 UNL 1 -0.718 -1.626 -2.424 1.00 0.00 H HETATM 39 H15 UNL 1 1.065 1.122 -3.493 1.00 0.00 H HETATM 40 H16 UNL 1 5.780 2.544 -1.681 1.00 0.00 H HETATM 41 H17 UNL 1 4.570 3.837 -1.573 1.00 0.00 H HETATM 42 H18 UNL 1 5.524 3.358 -0.082 1.00 0.00 H HETATM 43 H19 UNL 1 6.474 1.734 2.418 1.00 0.00 H HETATM 44 H20 UNL 1 4.968 -0.005 3.329 1.00 0.00 H HETATM 45 H21 UNL 1 2.927 -1.335 3.057 1.00 0.00 H HETATM 46 H22 UNL 1 1.526 -1.018 1.065 1.00 0.00 H HETATM 47 H23 UNL 1 -2.051 -3.044 -1.158 1.00 0.00 H HETATM 48 H24 UNL 1 -0.636 -2.749 -0.141 1.00 0.00 H CONECT 1 2 25 26 27 CONECT 2 3 7 CONECT 3 4 24 28 CONECT 4 5 29 30 CONECT 5 6 31 32 CONECT 6 7 33 34 CONECT 7 8 35 CONECT 8 9 36 37 CONECT 9 10 24 38 CONECT 10 11 11 CONECT 11 12 13 CONECT 12 39 CONECT 13 14 14 23 CONECT 14 15 CONECT 15 16 17 CONECT 16 40 41 42 CONECT 17 18 18 23 CONECT 18 19 20 CONECT 19 43 CONECT 20 21 21 44 CONECT 21 22 45 CONECT 22 23 23 46 CONECT 24 47 48 END