COMPND HMDB0003119 HETATM 1 O1 UNL 1 2.767 0.014 0.641 1.00 0.00 O HETATM 2 C1 UNL 1 2.009 -0.192 -0.533 1.00 0.00 C HETATM 3 C2 UNL 1 0.552 -0.123 -0.237 1.00 0.00 C HETATM 4 C3 UNL 1 -0.115 1.083 -0.312 1.00 0.00 C HETATM 5 C4 UNL 1 -1.468 1.194 -0.045 1.00 0.00 C HETATM 6 C5 UNL 1 -2.215 0.090 0.311 1.00 0.00 C HETATM 7 C6 UNL 1 -1.546 -1.113 0.386 1.00 0.00 C HETATM 8 C7 UNL 1 -0.196 -1.227 0.120 1.00 0.00 C HETATM 9 H1 UNL 1 2.376 0.776 1.171 1.00 0.00 H HETATM 10 H2 UNL 1 2.210 0.599 -1.285 1.00 0.00 H HETATM 11 H3 UNL 1 2.250 -1.210 -0.892 1.00 0.00 H HETATM 12 H4 UNL 1 0.452 1.951 -0.588 1.00 0.00 H HETATM 13 H5 UNL 1 -1.996 2.149 -0.105 1.00 0.00 H HETATM 14 H6 UNL 1 -3.271 0.200 0.515 1.00 0.00 H HETATM 15 H7 UNL 1 -2.117 -1.991 0.665 1.00 0.00 H HETATM 16 H8 UNL 1 0.307 -2.198 0.188 1.00 0.00 H CONECT 1 2 9 CONECT 2 3 10 11 CONECT 3 4 4 8 CONECT 4 5 12 CONECT 5 6 6 13 CONECT 6 7 14 CONECT 7 8 8 15 CONECT 8 16 END