COMPND HMDB0240537 HETATM 1 C1 UNL 1 4.281 0.225 2.550 1.00 0.00 C HETATM 2 O1 UNL 1 4.015 -1.143 2.356 1.00 0.00 O HETATM 3 C2 UNL 1 2.876 -1.629 1.756 1.00 0.00 C HETATM 4 C3 UNL 1 1.877 -0.759 1.285 1.00 0.00 C HETATM 5 C4 UNL 1 0.744 -1.224 0.688 1.00 0.00 C HETATM 6 C5 UNL 1 -0.338 -0.430 0.128 1.00 0.00 C HETATM 7 O2 UNL 1 -1.463 -1.051 -0.242 1.00 0.00 O HETATM 8 C6 UNL 1 -2.500 -0.480 -0.749 1.00 0.00 C HETATM 9 C7 UNL 1 -3.645 -1.171 -1.116 1.00 0.00 C HETATM 10 C8 UNL 1 -4.741 -0.558 -1.654 1.00 0.00 C HETATM 11 O3 UNL 1 -5.865 -1.327 -2.001 1.00 0.00 O1- HETATM 12 C9 UNL 1 -4.745 0.806 -1.854 1.00 0.00 C HETATM 13 C10 UNL 1 -3.626 1.527 -1.502 1.00 0.00 C HETATM 14 O4 UNL 1 -3.647 2.898 -1.710 1.00 0.00 O HETATM 15 C11 UNL 1 -2.520 0.894 -0.958 1.00 0.00 C HETATM 16 C12 UNL 1 -1.407 1.626 -0.610 1.00 0.00 C HETATM 17 O5 UNL 1 -1.359 2.869 -0.772 1.00 0.00 O HETATM 18 C13 UNL 1 -0.320 0.917 -0.063 1.00 0.00 C HETATM 19 O6 UNL 1 0.797 1.679 0.270 1.00 0.00 O HETATM 20 S1 UNL 1 2.012 1.970 -0.919 1.00 0.00 S HETATM 21 O7 UNL 1 3.310 2.330 -0.231 1.00 0.00 O HETATM 22 O8 UNL 1 2.195 0.774 -1.799 1.00 0.00 O HETATM 23 O9 UNL 1 1.589 3.298 -1.872 1.00 0.00 O HETATM 24 C14 UNL 1 0.661 -2.618 0.587 1.00 0.00 C HETATM 25 C15 UNL 1 1.617 -3.479 1.037 1.00 0.00 C HETATM 26 C16 UNL 1 2.741 -2.983 1.630 1.00 0.00 C HETATM 27 O10 UNL 1 3.723 -3.859 2.092 1.00 0.00 O1- HETATM 28 H1 UNL 1 4.584 0.696 1.596 1.00 0.00 H HETATM 29 H2 UNL 1 3.352 0.770 2.886 1.00 0.00 H HETATM 30 H3 UNL 1 5.043 0.419 3.307 1.00 0.00 H HETATM 31 H4 UNL 1 2.015 0.275 1.427 1.00 0.00 H HETATM 32 H5 UNL 1 -3.672 -2.245 -0.971 1.00 0.00 H HETATM 33 H6 UNL 1 -5.627 1.253 -2.280 1.00 0.00 H HETATM 34 H7 UNL 1 -4.442 3.369 -2.104 1.00 0.00 H HETATM 35 H8 UNL 1 1.160 3.952 -1.263 1.00 0.00 H HETATM 36 H9 UNL 1 -0.218 -3.031 0.122 1.00 0.00 H HETATM 37 H10 UNL 1 1.541 -4.561 0.952 1.00 0.00 H CONECT 1 2 28 29 30 CONECT 2 3 CONECT 3 4 4 26 CONECT 4 5 31 CONECT 5 6 24 24 CONECT 6 7 18 18 CONECT 7 8 CONECT 8 9 9 15 CONECT 9 10 32 CONECT 10 11 12 12 CONECT 12 13 33 CONECT 13 14 15 15 CONECT 14 34 CONECT 15 16 CONECT 16 17 17 18 CONECT 18 19 CONECT 19 20 CONECT 20 21 21 22 22 CONECT 20 23 CONECT 23 35 CONECT 24 25 36 CONECT 25 26 26 37 CONECT 26 27 END