COMPND HMDB0031769 HETATM 1 C1 UNL 1 4.140 1.194 0.402 1.00 0.00 C HETATM 2 O1 UNL 1 2.892 0.558 0.085 1.00 0.00 O HETATM 3 C2 UNL 1 2.881 -0.576 -0.715 1.00 0.00 C HETATM 4 O2 UNL 1 3.983 -1.003 -1.133 1.00 0.00 O HETATM 5 N1 UNL 1 1.701 -1.268 -1.079 1.00 0.00 N HETATM 6 C3 UNL 1 0.411 -0.806 -0.616 1.00 0.00 C HETATM 7 N2 UNL 1 0.167 0.261 0.163 1.00 0.00 N HETATM 8 C4 UNL 1 -1.168 0.362 0.376 1.00 0.00 C HETATM 9 C5 UNL 1 -1.987 1.225 1.072 1.00 0.00 C HETATM 10 C6 UNL 1 -3.368 1.081 1.116 1.00 0.00 C HETATM 11 C7 UNL 1 -3.960 0.032 0.438 1.00 0.00 C HETATM 12 C8 UNL 1 -3.149 -0.837 -0.262 1.00 0.00 C HETATM 13 C9 UNL 1 -1.771 -0.683 -0.299 1.00 0.00 C HETATM 14 N3 UNL 1 -0.762 -1.360 -0.884 1.00 0.00 N HETATM 15 H1 UNL 1 3.997 1.643 1.409 1.00 0.00 H HETATM 16 H2 UNL 1 4.396 1.963 -0.365 1.00 0.00 H HETATM 17 H3 UNL 1 4.959 0.433 0.469 1.00 0.00 H HETATM 18 H4 UNL 1 1.776 -2.102 -1.677 1.00 0.00 H HETATM 19 H5 UNL 1 -1.554 2.038 1.601 1.00 0.00 H HETATM 20 H6 UNL 1 -3.999 1.780 1.676 1.00 0.00 H HETATM 21 H7 UNL 1 -5.037 -0.058 0.488 1.00 0.00 H HETATM 22 H8 UNL 1 -3.627 -1.653 -0.787 1.00 0.00 H HETATM 23 H9 UNL 1 -0.918 -2.225 -1.478 1.00 0.00 H CONECT 1 2 15 16 17 CONECT 2 3 CONECT 3 4 4 5 CONECT 5 6 18 CONECT 6 7 7 14 CONECT 7 8 CONECT 8 9 9 13 CONECT 9 10 19 CONECT 10 11 11 20 CONECT 11 12 21 CONECT 12 13 13 22 CONECT 13 14 CONECT 14 23 END