COMPND HMDB0041868 HETATM 1 C1 UNL 1 -3.618 2.890 -1.373 1.00 0.00 C HETATM 2 O1 UNL 1 -2.703 1.822 -1.654 1.00 0.00 O HETATM 3 N1 UNL 1 -3.109 0.570 -1.344 1.00 0.00 N HETATM 4 C2 UNL 1 -2.542 -0.103 -0.366 1.00 0.00 C HETATM 5 C3 UNL 1 -1.485 0.559 0.342 1.00 0.00 C HETATM 6 O2 UNL 1 -1.098 1.870 -0.021 1.00 0.00 O HETATM 7 N2 UNL 1 -0.856 0.048 1.290 1.00 0.00 N HETATM 8 C4 UNL 1 0.198 0.577 2.072 1.00 0.00 C HETATM 9 C5 UNL 1 0.911 1.751 1.595 1.00 0.00 C HETATM 10 O3 UNL 1 0.699 2.985 1.601 1.00 0.00 O HETATM 11 N3 UNL 1 1.943 0.895 1.124 1.00 0.00 N HETATM 12 C6 UNL 1 3.059 0.718 0.239 1.00 0.00 C HETATM 13 C7 UNL 1 4.078 1.775 0.252 1.00 0.00 C HETATM 14 O4 UNL 1 3.951 2.786 1.033 1.00 0.00 O HETATM 15 O5 UNL 1 5.215 1.820 -0.511 1.00 0.00 O HETATM 16 C8 UNL 1 3.146 -0.329 -0.557 1.00 0.00 C HETATM 17 C9 UNL 1 4.229 -0.615 -1.492 1.00 0.00 C HETATM 18 O6 UNL 1 4.863 -1.846 -1.189 1.00 0.00 O HETATM 19 C10 UNL 1 2.015 -1.332 -0.547 1.00 0.00 C HETATM 20 S1 UNL 1 1.545 -1.702 1.160 1.00 0.00 S HETATM 21 C11 UNL 1 1.518 -0.149 2.027 1.00 0.00 C HETATM 22 C12 UNL 1 -3.009 -1.482 -0.046 1.00 0.00 C HETATM 23 C13 UNL 1 -2.444 -2.211 0.964 1.00 0.00 C HETATM 24 S2 UNL 1 -3.338 -3.683 0.896 1.00 0.00 S HETATM 25 C14 UNL 1 -4.358 -3.275 -0.397 1.00 0.00 C HETATM 26 N4 UNL 1 -5.311 -3.994 -0.964 1.00 0.00 N HETATM 27 N5 UNL 1 -3.981 -2.048 -0.722 1.00 0.00 N HETATM 28 H1 UNL 1 -3.077 3.839 -1.553 1.00 0.00 H HETATM 29 H2 UNL 1 -3.924 2.778 -0.317 1.00 0.00 H HETATM 30 H3 UNL 1 -4.517 2.826 -2.020 1.00 0.00 H HETATM 31 H4 UNL 1 -0.518 2.058 -0.810 1.00 0.00 H HETATM 32 H5 UNL 1 -0.117 0.708 3.129 1.00 0.00 H HETATM 33 H6 UNL 1 5.502 2.617 -1.068 1.00 0.00 H HETATM 34 H7 UNL 1 5.015 0.092 -1.644 1.00 0.00 H HETATM 35 H8 UNL 1 3.805 -0.831 -2.542 1.00 0.00 H HETATM 36 H9 UNL 1 4.801 -1.983 -0.231 1.00 0.00 H HETATM 37 H10 UNL 1 1.164 -0.850 -1.107 1.00 0.00 H HETATM 38 H11 UNL 1 2.274 -2.233 -1.119 1.00 0.00 H HETATM 39 H12 UNL 1 2.047 -0.181 3.008 1.00 0.00 H HETATM 40 H13 UNL 1 -1.625 -1.967 1.668 1.00 0.00 H HETATM 41 H14 UNL 1 -5.854 -3.608 -1.751 1.00 0.00 H HETATM 42 H15 UNL 1 -4.497 -1.562 -1.538 1.00 0.00 H CONECT 1 2 28 29 30 CONECT 2 3 CONECT 3 4 4 CONECT 4 5 22 CONECT 5 6 7 7 CONECT 6 31 CONECT 7 8 CONECT 8 9 21 32 CONECT 9 10 10 11 CONECT 11 12 21 CONECT 12 13 16 16 CONECT 13 14 14 15 CONECT 15 33 CONECT 16 17 19 CONECT 17 18 34 35 CONECT 18 36 CONECT 19 20 37 38 CONECT 20 21 CONECT 21 39 CONECT 22 23 23 27 CONECT 23 24 40 CONECT 24 25 CONECT 25 26 26 27 CONECT 26 41 CONECT 27 42 END