COMPND HMDB0004291 HETATM 1 C1 UNL 1 2.985 0.045 -0.268 1.00 0.00 C HETATM 2 C2 UNL 1 1.503 0.324 -0.267 1.00 0.00 C HETATM 3 N1 UNL 1 1.059 1.497 -0.754 1.00 0.00 N HETATM 4 C3 UNL 1 -0.255 1.776 -0.767 1.00 0.00 C HETATM 5 C4 UNL 1 -1.201 0.879 -0.286 1.00 0.00 C HETATM 6 C5 UNL 1 -0.735 -0.316 0.210 1.00 0.00 C HETATM 7 C6 UNL 1 0.629 -0.615 0.228 1.00 0.00 C HETATM 8 O1 UNL 1 1.083 -1.821 0.729 1.00 0.00 O HETATM 9 C7 UNL 1 -1.911 -1.085 0.653 1.00 0.00 C HETATM 10 O2 UNL 1 -3.022 -0.291 0.393 1.00 0.00 O HETATM 11 C8 UNL 1 -2.650 0.900 -0.172 1.00 0.00 C HETATM 12 O3 UNL 1 -3.432 1.813 -0.514 1.00 0.00 O HETATM 13 H1 UNL 1 3.486 0.925 0.225 1.00 0.00 H HETATM 14 H2 UNL 1 3.384 0.020 -1.307 1.00 0.00 H HETATM 15 H3 UNL 1 3.161 -0.893 0.271 1.00 0.00 H HETATM 16 H4 UNL 1 -0.661 2.711 -1.151 1.00 0.00 H HETATM 17 H5 UNL 1 0.393 -2.472 1.078 1.00 0.00 H HETATM 18 H6 UNL 1 -1.833 -1.406 1.716 1.00 0.00 H HETATM 19 H7 UNL 1 -1.983 -1.991 -0.017 1.00 0.00 H CONECT 1 2 13 14 15 CONECT 2 3 3 7 CONECT 3 4 CONECT 4 5 5 16 CONECT 5 6 11 CONECT 6 7 7 9 CONECT 7 8 CONECT 8 17 CONECT 9 10 18 19 CONECT 10 11 CONECT 11 12 12 END