COMPND HMDB0030001 HETATM 1 C1 UNL 1 -2.342 -1.080 -0.813 1.00 0.00 C HETATM 2 C2 UNL 1 -1.509 0.025 -0.269 1.00 0.00 C HETATM 3 O1 UNL 1 -2.076 1.098 0.001 1.00 0.00 O HETATM 4 C3 UNL 1 -0.079 -0.181 -0.073 1.00 0.00 C HETATM 5 N1 UNL 1 0.495 -1.374 -0.384 1.00 0.00 N HETATM 6 C4 UNL 1 1.811 -1.583 -0.210 1.00 0.00 C HETATM 7 C5 UNL 1 2.607 -0.568 0.296 1.00 0.00 C HETATM 8 N2 UNL 1 2.031 0.592 0.595 1.00 0.00 N HETATM 9 C6 UNL 1 0.704 0.837 0.432 1.00 0.00 C HETATM 10 C7 UNL 1 0.076 2.117 0.763 1.00 0.00 C HETATM 11 H1 UNL 1 -2.096 -1.161 -1.909 1.00 0.00 H HETATM 12 H2 UNL 1 -1.982 -2.017 -0.361 1.00 0.00 H HETATM 13 H3 UNL 1 -3.414 -0.924 -0.652 1.00 0.00 H HETATM 14 H4 UNL 1 2.225 -2.537 -0.467 1.00 0.00 H HETATM 15 H5 UNL 1 3.657 -0.770 0.422 1.00 0.00 H HETATM 16 H6 UNL 1 -0.346 2.662 -0.099 1.00 0.00 H HETATM 17 H7 UNL 1 -0.661 2.077 1.579 1.00 0.00 H HETATM 18 H8 UNL 1 0.900 2.788 1.149 1.00 0.00 H CONECT 1 2 11 12 13 CONECT 2 3 3 4 CONECT 4 5 5 9 CONECT 5 6 CONECT 6 7 7 14 CONECT 7 8 15 CONECT 8 9 9 CONECT 9 10 CONECT 10 16 17 18 END