COMPND HMDB0001991 HETATM 1 C1 UNL 1 1.661 -0.765 1.817 1.00 0.00 C HETATM 2 N1 UNL 1 1.057 0.243 0.965 1.00 0.00 N HETATM 3 C2 UNL 1 1.329 1.554 0.887 1.00 0.00 C HETATM 4 N2 UNL 1 0.531 2.107 -0.035 1.00 0.00 N HETATM 5 C3 UNL 1 -0.269 1.158 -0.567 1.00 0.00 C HETATM 6 N3 UNL 1 -1.236 1.142 -1.504 1.00 0.00 N HETATM 7 C4 UNL 1 -1.902 0.029 -1.862 1.00 0.00 C HETATM 8 O1 UNL 1 -2.803 0.076 -2.752 1.00 0.00 O HETATM 9 N4 UNL 1 -1.579 -1.122 -1.246 1.00 0.00 N HETATM 10 C5 UNL 1 -0.617 -1.152 -0.301 1.00 0.00 C HETATM 11 O2 UNL 1 -0.295 -2.228 0.295 1.00 0.00 O HETATM 12 C6 UNL 1 0.075 -0.014 0.075 1.00 0.00 C HETATM 13 H1 UNL 1 2.399 -0.255 2.500 1.00 0.00 H HETATM 14 H2 UNL 1 0.896 -1.274 2.433 1.00 0.00 H HETATM 15 H3 UNL 1 2.210 -1.531 1.249 1.00 0.00 H HETATM 16 H4 UNL 1 2.093 2.027 1.507 1.00 0.00 H HETATM 17 H5 UNL 1 -1.486 2.021 -1.979 1.00 0.00 H HETATM 18 H6 UNL 1 -2.063 -2.018 -1.482 1.00 0.00 H CONECT 1 2 13 14 15 CONECT 2 3 12 CONECT 3 4 4 16 CONECT 4 5 CONECT 5 6 12 12 CONECT 6 7 17 CONECT 7 8 8 9 CONECT 9 10 18 CONECT 10 11 11 12 END