COMPND HMDB0033119 HETATM 1 C1 UNL 1 -1.679 -0.238 0.028 1.00 0.00 C HETATM 2 C2 UNL 1 -0.196 0.117 0.029 1.00 0.00 C HETATM 3 C3 UNL 1 0.776 -0.791 -0.204 1.00 0.00 C HETATM 4 C4 UNL 1 2.066 -0.346 -0.175 1.00 0.00 C HETATM 5 S1 UNL 1 1.897 1.311 0.174 1.00 0.00 S HETATM 6 C5 UNL 1 0.198 1.404 0.275 1.00 0.00 C HETATM 7 H1 UNL 1 -2.190 0.316 0.838 1.00 0.00 H HETATM 8 H2 UNL 1 -1.817 -1.312 0.231 1.00 0.00 H HETATM 9 H3 UNL 1 -2.142 0.079 -0.924 1.00 0.00 H HETATM 10 H4 UNL 1 0.569 -1.868 -0.416 1.00 0.00 H HETATM 11 H5 UNL 1 2.977 -0.947 -0.342 1.00 0.00 H HETATM 12 H6 UNL 1 -0.459 2.275 0.486 1.00 0.00 H CONECT 1 2 7 8 9 CONECT 2 3 6 6 CONECT 3 4 4 10 CONECT 4 5 11 CONECT 5 6 CONECT 6 12 END