COMPND HMDB0060253 HETATM 1 C1 UNL 1 2.123 0.255 0.080 1.00 0.00 C HETATM 2 N1 UNL 1 0.662 0.178 0.080 1.00 0.00 N1+ HETATM 3 C2 UNL 1 -0.138 1.084 -0.316 1.00 0.00 C HETATM 4 C3 UNL 1 -1.571 0.678 -0.181 1.00 0.00 C HETATM 5 C4 UNL 1 -1.380 -0.834 -0.214 1.00 0.00 C HETATM 6 C5 UNL 1 -0.082 -0.941 0.548 1.00 0.00 C HETATM 7 H1 UNL 1 2.478 1.165 -0.407 1.00 0.00 H HETATM 8 H2 UNL 1 2.498 -0.612 -0.503 1.00 0.00 H HETATM 9 H3 UNL 1 2.514 0.243 1.099 1.00 0.00 H HETATM 10 H4 UNL 1 0.241 2.046 -0.707 1.00 0.00 H HETATM 11 H5 UNL 1 -2.038 1.025 0.736 1.00 0.00 H HETATM 12 H6 UNL 1 -2.076 0.986 -1.115 1.00 0.00 H HETATM 13 H7 UNL 1 -2.207 -1.384 0.222 1.00 0.00 H HETATM 14 H8 UNL 1 -1.150 -1.102 -1.272 1.00 0.00 H HETATM 15 H9 UNL 1 0.396 -1.912 0.299 1.00 0.00 H HETATM 16 H10 UNL 1 -0.270 -0.876 1.651 1.00 0.00 H CONECT 1 2 7 8 9 CONECT 2 3 3 6 CONECT 3 4 10 CONECT 4 5 11 12 CONECT 5 6 13 14 CONECT 6 15 16 END