HEADER REMARK methyl_oxobutanoic_acid_3441 HETATM 1 O 1 2.039 -1.586 0.000 O HETATM 2 C 1 1.468 -0.530 0.000 C HETATM 3 O 1 2.154 0.641 0.000 O HETATM 4 C 1 -0.097 -0.458 0.000 C HETATM 5 C 1 -0.866 0.871 0.000 C HETATM 6 C 1 -1.727 0.950 1.275 C HETATM 7 C 1 -1.727 0.950 -1.275 C HETATM 8 O 1 -0.692 -1.511 0.000 O HETATM 9 H 1 1.548 1.399 0.000 H HETATM 10 H 1 -0.184 1.734 0.000 H HETATM 11 H 1 -1.112 0.933 2.182 H HETATM 12 H 1 -2.313 1.875 1.278 H HETATM 13 H 1 -2.413 0.099 1.312 H HETATM 14 H 1 -2.313 1.875 -1.278 H HETATM 15 H 1 -1.112 0.933 -2.182 H HETATM 16 H 1 -2.413 0.099 -1.312 H CONECT 1 2 CONECT 2 1 3 4 CONECT 3 2 9 CONECT 4 2 5 8 CONECT 5 4 6 7 10 CONECT 6 5 11 12 13 CONECT 7 5 14 15 16 CONECT 8 4 CONECT 9 3 CONECT 10 5 CONECT 11 6 CONECT 12 6 CONECT 13 6 CONECT 14 7 CONECT 15 7 CONECT 16 7 END