COMPND HMDB0037044 HETATM 1 C1 UNL 1 -2.957 -0.138 1.106 1.00 0.00 C HETATM 2 C2 UNL 1 -2.072 -0.032 -0.055 1.00 0.00 C HETATM 3 C3 UNL 1 -2.631 -0.230 -1.422 1.00 0.00 C HETATM 4 C4 UNL 1 -0.773 0.235 0.026 1.00 0.00 C HETATM 5 C5 UNL 1 0.097 0.335 -1.174 1.00 0.00 C HETATM 6 C6 UNL 1 1.387 -0.405 -0.922 1.00 0.00 C HETATM 7 C7 UNL 1 2.059 -0.044 0.351 1.00 0.00 C HETATM 8 C8 UNL 1 3.571 0.101 0.245 1.00 0.00 C HETATM 9 O1 UNL 1 1.812 -0.986 1.479 1.00 0.00 O HETATM 10 C9 UNL 1 1.355 0.411 1.425 1.00 0.00 C HETATM 11 C10 UNL 1 -0.106 0.449 1.314 1.00 0.00 C HETATM 12 O2 UNL 1 -0.860 0.668 2.312 1.00 0.00 O HETATM 13 H1 UNL 1 -3.081 0.843 1.604 1.00 0.00 H HETATM 14 H2 UNL 1 -2.512 -0.901 1.795 1.00 0.00 H HETATM 15 H3 UNL 1 -3.948 -0.494 0.809 1.00 0.00 H HETATM 16 H4 UNL 1 -2.165 -1.119 -1.896 1.00 0.00 H HETATM 17 H5 UNL 1 -3.717 -0.419 -1.404 1.00 0.00 H HETATM 18 H6 UNL 1 -2.374 0.701 -1.990 1.00 0.00 H HETATM 19 H7 UNL 1 0.351 1.395 -1.373 1.00 0.00 H HETATM 20 H8 UNL 1 -0.386 -0.084 -2.054 1.00 0.00 H HETATM 21 H9 UNL 1 2.048 -0.191 -1.800 1.00 0.00 H HETATM 22 H10 UNL 1 1.234 -1.506 -0.936 1.00 0.00 H HETATM 23 H11 UNL 1 4.013 0.603 1.113 1.00 0.00 H HETATM 24 H12 UNL 1 3.848 0.674 -0.668 1.00 0.00 H HETATM 25 H13 UNL 1 4.041 -0.916 0.091 1.00 0.00 H HETATM 26 H14 UNL 1 1.768 1.050 2.226 1.00 0.00 H CONECT 1 2 13 14 15 CONECT 2 3 4 4 CONECT 3 16 17 18 CONECT 4 5 11 CONECT 5 6 19 20 CONECT 6 7 21 22 CONECT 7 8 9 10 CONECT 8 23 24 25 CONECT 9 10 CONECT 10 11 26 CONECT 11 12 12 END