COMPND HMDB0259002 HETATM 1 N1 UNL 1 2.698 0.638 0.367 1.00 0.00 N HETATM 2 C1 UNL 1 1.837 -0.471 0.207 1.00 0.00 C HETATM 3 S1 UNL 1 2.511 -1.955 0.218 1.00 0.00 S HETATM 4 C2 UNL 1 0.409 -0.255 0.041 1.00 0.00 C HETATM 5 C3 UNL 1 -0.223 0.878 0.511 1.00 0.00 C HETATM 6 C4 UNL 1 -1.574 1.071 0.349 1.00 0.00 C HETATM 7 C5 UNL 1 -2.360 0.137 -0.293 1.00 0.00 C HETATM 8 C6 UNL 1 -1.745 -1.002 -0.770 1.00 0.00 C HETATM 9 C7 UNL 1 -0.376 -1.193 -0.603 1.00 0.00 C HETATM 10 H1 UNL 1 3.511 0.788 -0.246 1.00 0.00 H HETATM 11 H2 UNL 1 2.504 1.319 1.123 1.00 0.00 H HETATM 12 H3 UNL 1 0.415 1.612 1.020 1.00 0.00 H HETATM 13 H4 UNL 1 -2.004 1.980 0.741 1.00 0.00 H HETATM 14 H5 UNL 1 -3.431 0.304 -0.415 1.00 0.00 H HETATM 15 H6 UNL 1 -2.289 -1.770 -1.278 1.00 0.00 H HETATM 16 H7 UNL 1 0.117 -2.081 -0.972 1.00 0.00 H CONECT 1 2 10 11 CONECT 2 3 3 4 CONECT 4 5 5 9 CONECT 5 6 12 CONECT 6 7 7 13 CONECT 7 8 14 CONECT 8 9 9 15 CONECT 9 16 END