# 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 DSX DSX 'BATIMASTAT (BB-99) ' non-polymer 63 32 M # data_comp_DSX # 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 DSX C1 C . 0.000 DSX C2 C . 0.000 DSX C3 C . 0.000 DSX C4 C . 0.000 DSX C5 C . 0.000 DSX C6 C . 0.000 DSX C10 C . 0.000 DSX C13 C . 0.000 DSX C14 C . 0.000 DSX O15 O . 0.000 DSX N16 N . 0.000 DSX C17 C . 0.000 DSX N18 N . 0.000 DSX C19 C . 0.000 DSX O20 O . 0.000 DSX C21 C . 0.000 DSX C22 C . 0.000 DSX C23 C . 0.000 DSX C24 C . 0.000 DSX C25 C . 0.000 DSX C27 C . 0.000 DSX C28 C . 0.000 DSX S29 S . 0.000 DSX C30 C . 0.000 DSX S31 S . 0.000 DSX C32 C . 0.000 DSX C33 C . 0.000 DSX C34 C . 0.000 DSX C35 C . 0.000 DSX O36 O . 0.000 DSX N37 N . 0.000 DSX O38 O . 0.000 DSX H1 H . 0.000 DSX H2 H . 0.000 DSX H3 H . 0.000 DSX H5 H . 0.000 DSX H6 H . 0.000 DSX H101 H . 0.000 DSX H102 H . 0.000 DSX H13 H . 0.000 DSX HN6 H . 0.000 DSX H171 H . 0.000 DSX H172 H . 0.000 DSX H173 H . 0.000 DSX HN8 H . 0.000 DSX H21 H . 0.000 DSX H221 H . 0.000 DSX H222 H . 0.000 DSX H23 H . 0.000 DSX H241 H . 0.000 DSX H242 H . 0.000 DSX H243 H . 0.000 DSX H251 H . 0.000 DSX H252 H . 0.000 DSX H253 H . 0.000 DSX H27 H . 0.000 DSX H281 H . 0.000 DSX H282 H . 0.000 DSX H32 H . 0.000 DSX H33 H . 0.000 DSX H34 H . 0.000 DSX HN7 H . 0.000 DSX HO8 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 DSX C1 C2 double DSX C1 C6 single DSX C1 H1 single DSX C2 C3 single DSX C2 H2 single DSX C3 C4 double DSX C3 H3 single DSX C4 C5 single DSX C4 C10 single DSX C5 C6 double DSX C5 H5 single DSX C6 H6 single DSX C10 C13 single DSX C10 H101 single DSX C10 H102 single DSX C13 C14 single DSX C13 N18 single DSX C13 H13 single DSX C14 O15 double DSX C14 N16 single DSX N16 C17 single DSX N16 HN6 single DSX C17 H171 single DSX C17 H172 single DSX C17 H173 single DSX N18 C19 single DSX N18 HN8 single DSX C19 C21 single DSX C19 O20 double DSX C21 C22 single DSX C21 C27 single DSX C21 H21 single DSX C22 C23 single DSX C22 H221 single DSX C22 H222 single DSX C23 C24 single DSX C23 C25 single DSX C23 H23 single DSX C24 H241 single DSX C24 H242 single DSX C24 H243 single DSX C25 H251 single DSX C25 H252 single DSX C25 H253 single DSX C27 C28 single DSX C27 C35 single DSX C27 H27 single DSX C28 S29 single DSX C28 H281 single DSX C28 H282 single DSX S29 C30 single DSX C30 S31 single DSX C30 C34 double DSX S31 C32 single DSX C32 C33 double DSX C32 H32 single DSX C33 C34 single DSX C33 H33 single DSX C34 H34 single DSX C35 O36 double DSX C35 N37 single DSX N37 O38 single DSX N37 HN7 single DSX O38 HO8 single