COMPND HMDB0005175 HETATM 1 C1 UNL 1 -2.061 1.780 1.426 1.00 0.00 C HETATM 2 O1 UNL 1 -2.353 0.592 0.716 1.00 0.00 O HETATM 3 C2 UNL 1 -1.291 -0.133 0.217 1.00 0.00 C HETATM 4 C3 UNL 1 0.030 0.282 0.401 1.00 0.00 C HETATM 5 C4 UNL 1 1.101 -0.434 -0.093 1.00 0.00 C HETATM 6 C5 UNL 1 2.498 0.029 0.117 1.00 0.00 C HETATM 7 C6 UNL 1 2.894 0.918 -1.020 1.00 0.00 C HETATM 8 O2 UNL 1 2.156 1.188 -1.943 1.00 0.00 O HETATM 9 C7 UNL 1 0.811 -1.590 -0.784 1.00 0.00 C HETATM 10 C8 UNL 1 -0.491 -2.026 -0.982 1.00 0.00 C HETATM 11 C9 UNL 1 -1.544 -1.298 -0.481 1.00 0.00 C HETATM 12 O3 UNL 1 -2.859 -1.683 -0.647 1.00 0.00 O HETATM 13 H1 UNL 1 -1.538 1.586 2.373 1.00 0.00 H HETATM 14 H2 UNL 1 -1.536 2.528 0.787 1.00 0.00 H HETATM 15 H3 UNL 1 -3.046 2.251 1.684 1.00 0.00 H HETATM 16 H4 UNL 1 0.253 1.196 0.948 1.00 0.00 H HETATM 17 H5 UNL 1 3.168 -0.839 0.178 1.00 0.00 H HETATM 18 H6 UNL 1 2.604 0.581 1.078 1.00 0.00 H HETATM 19 H7 UNL 1 3.906 1.330 -0.986 1.00 0.00 H HETATM 20 H8 UNL 1 1.648 -2.150 -1.170 1.00 0.00 H HETATM 21 H9 UNL 1 -0.705 -2.931 -1.523 1.00 0.00 H HETATM 22 H10 UNL 1 -3.643 -1.176 -0.296 1.00 0.00 H CONECT 1 2 13 14 15 CONECT 2 3 CONECT 3 4 4 11 CONECT 4 5 16 CONECT 5 6 9 9 CONECT 6 7 17 18 CONECT 7 8 8 19 CONECT 9 10 20 CONECT 10 11 11 21 CONECT 11 12 CONECT 12 22 END