# data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level DSA DSA '4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHO' non-polymer 60 35 M # data_comp_DSA # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge DSA C20 C . 0.000 DSA C21 C . 0.000 DSA C22 C . 0.000 DSA C23 C . 0.000 DSA C24 C . 0.000 DSA C25 C . 0.000 DSA C18 C . 0.000 DSA C19 C . 0.000 DSA C16 C . 0.000 DSA C6 C . 0.000 DSA C7 C . 0.000 DSA C8 C . 0.000 DSA C11 C . 0.000 DSA C10 C . 0.000 DSA C13 C . 0.000 DSA C9 C . 0.000 DSA C26 C . 0.000 DSA C27 C . 0.000 DSA C5 C . 0.000 DSA C4 C . 0.000 DSA C3 C . 0.000 DSA C2 C . 0.000 DSA C14 C . 0.000 DSA C28 C . 0.000 DSA C15 C . 0.000 DSA N17 N . 0.000 DSA N12 N . 0.000 DSA N1 N . 0.000 DSA O24 O . 0.000 DSA O16 O . 0.000 DSA O6 O . 0.000 DSA O22 O . 0.000 DSA O23 O . 0.000 DSA O15 O . 0.000 DSA O14 O . 0.000 DSA H25 H . 0.000 DSA H19 H . 0.000 DSA H17 H . 0.000 DSA H7 H . 0.000 DSA H6 H . 0.000 DSA H111 H . 0.000 DSA H112 H . 0.000 DSA H10 H . 0.000 DSA H131 H . 0.000 DSA H132 H . 0.000 DSA H133 H . 0.000 DSA H261 H . 0.000 DSA H262 H . 0.000 DSA H263 H . 0.000 DSA H271 H . 0.000 DSA H272 H . 0.000 DSA H273 H . 0.000 DSA H3 H . 0.000 DSA H1 H . 0.000 DSA H281 H . 0.000 DSA H282 H . 0.000 DSA H283 H . 0.000 DSA H151 H . 0.000 DSA H152 H . 0.000 DSA H153 H . 0.000 loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type DSA C20 C19 single DSA C20 C21 double DSA C20 C25 single DSA C21 C22 single DSA C21 N17 single DSA C22 C23 double DSA C22 O22 single DSA C23 C24 single DSA C23 O23 single DSA C24 C25 double DSA C24 O24 single DSA C25 H25 single DSA C18 C16 single DSA C18 C19 double DSA C18 N17 single DSA C19 H19 single DSA C16 N12 single DSA C16 O16 double DSA C6 C5 double DSA C6 C7 single DSA C6 O6 single DSA C7 C8 double DSA C7 H7 single DSA C8 C9 single DSA C8 N12 single DSA C11 C10 single DSA C11 N12 single DSA C11 H111 single DSA C11 H112 single DSA C10 C13 single DSA C10 C9 single DSA C10 H10 single DSA C13 H131 single DSA C13 H132 single DSA C13 H133 single DSA C9 C4 double DSA C26 O22 single DSA C26 H261 single DSA C26 H262 single DSA C26 H263 single DSA C27 O23 single DSA C27 H271 single DSA C27 H272 single DSA C27 H273 single DSA C5 C4 single DSA C5 N1 single DSA C4 C3 single DSA C3 C2 double DSA C3 H3 single DSA C2 N1 single DSA C2 C14 single DSA C14 O14 double DSA C14 O15 single DSA C28 O24 single DSA C28 H281 single DSA C28 H282 single DSA C28 H283 single DSA C15 O15 single DSA C15 H151 single DSA C15 H152 single DSA C15 H153 single DSA N17 H17 single DSA N1 H1 single DSA O6 H6 single