COMPND HMDB0004816 HETATM 1 N1 UNL 1 -0.148 2.197 -0.838 1.00 0.00 N HETATM 2 C1 UNL 1 -0.431 1.161 0.089 1.00 0.00 C HETATM 3 N2 UNL 1 -1.181 1.535 1.155 1.00 0.00 N HETATM 4 C2 UNL 1 -1.567 0.676 2.097 1.00 0.00 C HETATM 5 N3 UNL 1 -1.194 -0.602 1.976 1.00 0.00 N HETATM 6 C3 UNL 1 -0.457 -1.072 0.967 1.00 0.00 C HETATM 7 N4 UNL 1 -0.088 -2.443 0.886 1.00 0.00 N HETATM 8 C4 UNL 1 -0.055 -0.149 -0.024 1.00 0.00 C HETATM 9 N5 UNL 1 0.759 -0.623 -1.053 1.00 0.00 N HETATM 10 C5 UNL 1 1.684 0.032 -1.880 1.00 0.00 C HETATM 11 O1 UNL 1 1.977 1.223 -1.841 1.00 0.00 O HETATM 12 H1 UNL 1 0.466 2.992 -0.491 1.00 0.00 H HETATM 13 H2 UNL 1 -0.531 2.186 -1.810 1.00 0.00 H HETATM 14 H3 UNL 1 -2.172 1.004 2.948 1.00 0.00 H HETATM 15 H4 UNL 1 -0.764 -3.175 1.191 1.00 0.00 H HETATM 16 H5 UNL 1 0.848 -2.699 0.525 1.00 0.00 H HETATM 17 H6 UNL 1 0.625 -1.695 -1.237 1.00 0.00 H HETATM 18 H7 UNL 1 2.228 -0.549 -2.661 1.00 0.00 H CONECT 1 2 12 13 CONECT 2 3 3 8 CONECT 3 4 CONECT 4 5 5 14 CONECT 5 6 CONECT 6 7 8 8 CONECT 7 15 16 CONECT 8 9 CONECT 9 10 17 CONECT 10 11 11 18 END