COMPND HMDB0004067 HETATM 1 O1 UNL 1 3.820 -0.591 1.160 1.00 0.00 O HETATM 2 C1 UNL 1 3.337 -0.108 0.125 1.00 0.00 C HETATM 3 O2 UNL 1 4.192 0.607 -0.721 1.00 0.00 O HETATM 4 C2 UNL 1 1.928 -0.223 -0.296 1.00 0.00 C HETATM 5 C3 UNL 1 1.201 1.098 -0.297 1.00 0.00 C HETATM 6 C4 UNL 1 -0.213 0.670 -0.157 1.00 0.00 C HETATM 7 C5 UNL 1 -1.435 1.227 -0.463 1.00 0.00 C HETATM 8 C6 UNL 1 -2.578 0.523 -0.175 1.00 0.00 C HETATM 9 O3 UNL 1 -3.835 1.050 -0.468 1.00 0.00 O HETATM 10 C7 UNL 1 -2.581 -0.732 0.413 1.00 0.00 C HETATM 11 O4 UNL 1 -3.768 -1.405 0.684 1.00 0.00 O HETATM 12 C8 UNL 1 -1.357 -1.282 0.715 1.00 0.00 C HETATM 13 C9 UNL 1 -0.194 -0.578 0.428 1.00 0.00 C HETATM 14 N1 UNL 1 1.149 -0.984 0.660 1.00 0.00 N HETATM 15 H1 UNL 1 4.607 0.166 -1.549 1.00 0.00 H HETATM 16 H2 UNL 1 1.819 -0.696 -1.300 1.00 0.00 H HETATM 17 H3 UNL 1 1.462 1.662 0.629 1.00 0.00 H HETATM 18 H4 UNL 1 1.378 1.690 -1.217 1.00 0.00 H HETATM 19 H5 UNL 1 -1.453 2.195 -0.917 1.00 0.00 H HETATM 20 H6 UNL 1 -3.952 1.959 -0.898 1.00 0.00 H HETATM 21 H7 UNL 1 -3.700 -2.317 1.114 1.00 0.00 H HETATM 22 H8 UNL 1 -1.331 -2.264 1.177 1.00 0.00 H HETATM 23 H9 UNL 1 1.505 -1.667 1.353 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 15 CONECT 4 5 14 16 CONECT 5 6 17 18 CONECT 6 7 7 13 CONECT 7 8 19 CONECT 8 9 10 10 CONECT 9 20 CONECT 10 11 12 CONECT 11 21 CONECT 12 13 13 22 CONECT 13 14 CONECT 14 23 END