COMPND HMDB0014542 HETATM 1 C1 UNL 1 6.941 2.836 -1.668 1.00 0.00 C HETATM 2 N1 UNL 1 6.219 1.573 -1.513 1.00 0.00 N HETATM 3 C2 UNL 1 6.699 0.594 -0.618 1.00 0.00 C HETATM 4 O1 UNL 1 7.755 0.821 0.044 1.00 0.00 O HETATM 5 C3 UNL 1 6.018 -0.680 -0.425 1.00 0.00 C HETATM 6 C4 UNL 1 4.867 -1.037 -1.080 1.00 0.00 C HETATM 7 C5 UNL 1 4.276 -2.274 -0.843 1.00 0.00 C HETATM 8 O2 UNL 1 3.112 -2.538 -1.558 1.00 0.00 O HETATM 9 C6 UNL 1 1.875 -2.174 -0.991 1.00 0.00 C HETATM 10 C7 UNL 1 1.317 -0.943 -1.201 1.00 0.00 C HETATM 11 C8 UNL 1 0.080 -0.607 -0.622 1.00 0.00 C HETATM 12 C9 UNL 1 -0.588 -1.497 0.159 1.00 0.00 C HETATM 13 N2 UNL 1 -1.812 -1.281 0.760 1.00 0.00 N HETATM 14 C10 UNL 1 -2.714 -0.242 0.406 1.00 0.00 C HETATM 15 O3 UNL 1 -2.375 0.521 -0.514 1.00 0.00 O HETATM 16 N3 UNL 1 -3.952 -0.073 1.069 1.00 0.00 N HETATM 17 C11 UNL 1 -4.894 0.922 0.788 1.00 0.00 C HETATM 18 C12 UNL 1 -4.771 1.980 -0.070 1.00 0.00 C HETATM 19 C13 UNL 1 -5.773 2.926 -0.296 1.00 0.00 C HETATM 20 C14 UNL 1 -6.955 2.781 0.388 1.00 0.00 C HETATM 21 CL1 UNL 1 -8.246 3.949 0.134 1.00 0.00 CL HETATM 22 C15 UNL 1 -7.121 1.729 1.262 1.00 0.00 C HETATM 23 C16 UNL 1 -8.446 1.653 1.962 1.00 0.00 C HETATM 24 F1 UNL 1 -8.526 0.586 2.806 1.00 0.00 F HETATM 25 F2 UNL 1 -9.416 1.530 0.969 1.00 0.00 F HETATM 26 F3 UNL 1 -8.605 2.870 2.622 1.00 0.00 F HETATM 27 C17 UNL 1 -6.134 0.827 1.463 1.00 0.00 C HETATM 28 C18 UNL 1 -0.000 -2.759 0.366 1.00 0.00 C HETATM 29 C19 UNL 1 1.208 -3.073 -0.206 1.00 0.00 C HETATM 30 C20 UNL 1 4.817 -3.176 0.047 1.00 0.00 C HETATM 31 C21 UNL 1 5.972 -2.777 0.682 1.00 0.00 C HETATM 32 N4 UNL 1 6.539 -1.587 0.453 1.00 0.00 N HETATM 33 H1 UNL 1 6.214 3.689 -1.581 1.00 0.00 H HETATM 34 H2 UNL 1 7.405 2.840 -2.654 1.00 0.00 H HETATM 35 H3 UNL 1 7.725 2.913 -0.884 1.00 0.00 H HETATM 36 H4 UNL 1 5.358 1.410 -2.064 1.00 0.00 H HETATM 37 H5 UNL 1 4.427 -0.337 -1.786 1.00 0.00 H HETATM 38 H6 UNL 1 1.854 -0.240 -1.824 1.00 0.00 H HETATM 39 H7 UNL 1 -0.270 0.390 -0.835 1.00 0.00 H HETATM 40 H8 UNL 1 -2.141 -1.922 1.558 1.00 0.00 H HETATM 41 H9 UNL 1 -4.135 -0.786 1.840 1.00 0.00 H HETATM 42 H10 UNL 1 -3.834 2.096 -0.605 1.00 0.00 H HETATM 43 H11 UNL 1 -5.556 3.712 -0.995 1.00 0.00 H HETATM 44 H12 UNL 1 -6.295 0.012 2.155 1.00 0.00 H HETATM 45 H13 UNL 1 -0.498 -3.505 0.984 1.00 0.00 H HETATM 46 H14 UNL 1 1.617 -4.059 -0.015 1.00 0.00 H HETATM 47 H15 UNL 1 4.338 -4.127 0.212 1.00 0.00 H HETATM 48 H16 UNL 1 6.423 -3.467 1.391 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 36 CONECT 3 4 4 5 CONECT 5 6 6 32 CONECT 6 7 37 CONECT 7 8 30 30 CONECT 8 9 CONECT 9 10 10 29 CONECT 10 11 38 CONECT 11 12 12 39 CONECT 12 13 28 CONECT 13 14 40 CONECT 14 15 15 16 CONECT 16 17 41 CONECT 17 18 18 27 CONECT 18 19 42 CONECT 19 20 20 43 CONECT 20 21 22 CONECT 22 23 27 27 CONECT 23 24 25 26 CONECT 27 44 CONECT 28 29 29 45 CONECT 29 46 CONECT 30 31 47 CONECT 31 32 32 48 END