# 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 SMA SMA 'STIGMATELLIN A ' non-polymer 79 37 M # data_comp_SMA # 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 SMA C2 C . 0.000 SMA C3 C . 0.000 SMA C3M C . 0.000 SMA C4 C . 0.000 SMA C4A C . 0.000 SMA C5 C . 0.000 SMA C5M C . 0.000 SMA C6 C . 0.000 SMA C7 C . 0.000 SMA C7M C . 0.000 SMA C8 C . 0.000 SMA C8A C . 0.000 SMA C9 C . 0.000 SMA C10 C . 0.000 SMA C11 C . 0.000 SMA C12 C . 0.000 SMA C13 C . 0.000 SMA C14 C . 0.000 SMA C15 C . 0.000 SMA C16 C . 0.000 SMA C17 C . 0.000 SMA C18 C . 0.000 SMA C19 C . 0.000 SMA C20 C . 0.000 SMA C21 C . 0.000 SMA C22 C . 0.000 SMA C23 C . 0.000 SMA C24 C . 0.000 SMA C25 C . 0.000 SMA C26 C . 0.000 SMA O1 O . 0.000 SMA O4 O . 0.000 SMA O5 O . 0.000 SMA O7 O . 0.000 SMA O8 O . 0.000 SMA O12 O . 0.000 SMA O14 O . 0.000 SMA H6 H . 0.000 SMA H3M1 H . 0.000 SMA H3M2 H . 0.000 SMA H3M3 H . 0.000 SMA H5M1 H . 0.000 SMA H5M2 H . 0.000 SMA H5M3 H . 0.000 SMA H7M1 H . 0.000 SMA H7M2 H . 0.000 SMA H7M3 H . 0.000 SMA H91 H . 0.000 SMA H92 H . 0.000 SMA H101 H . 0.000 SMA H102 H . 0.000 SMA H11 H . 0.000 SMA H12 H . 0.000 SMA H13 H . 0.000 SMA H14 H . 0.000 SMA H15 H . 0.000 SMA H16 H . 0.000 SMA H17 H . 0.000 SMA H18 H . 0.000 SMA H20 H . 0.000 SMA H211 H . 0.000 SMA H212 H . 0.000 SMA H213 H . 0.000 SMA H221 H . 0.000 SMA H222 H . 0.000 SMA H223 H . 0.000 SMA H231 H . 0.000 SMA H232 H . 0.000 SMA H233 H . 0.000 SMA H241 H . 0.000 SMA H242 H . 0.000 SMA H243 H . 0.000 SMA H251 H . 0.000 SMA H252 H . 0.000 SMA H253 H . 0.000 SMA H261 H . 0.000 SMA H262 H . 0.000 SMA H263 H . 0.000 SMA 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 SMA C2 C9 single SMA C2 C3 double SMA C2 O1 single SMA C3 C3M single SMA C3 C4 single SMA C3M H3M1 single SMA C3M H3M2 single SMA C3M H3M3 single SMA C4 O4 double SMA C4 C4A single SMA C4A C8A double SMA C4A C5 single SMA C5 C6 double SMA C5 O5 single SMA C5M O5 single SMA C5M H5M1 single SMA C5M H5M2 single SMA C5M H5M3 single SMA C6 C7 single SMA C6 H6 single SMA C7 C8 double SMA C7 O7 single SMA C7M O7 single SMA C7M H7M1 single SMA C7M H7M2 single SMA C7M H7M3 single SMA C8 C8A single SMA C8 O8 single SMA C8A O1 single SMA C9 C10 single SMA C9 H91 single SMA C9 H92 single SMA C10 C11 single SMA C10 H101 single SMA C10 H102 single SMA C11 C12 single SMA C11 C22 single SMA C11 H11 single SMA C12 C13 single SMA C12 O12 single SMA C12 H12 single SMA C13 C14 single SMA C13 C24 single SMA C13 H13 single SMA C14 C15 single SMA C14 O14 single SMA C14 H14 single SMA C15 C16 double SMA C15 H15 single SMA C16 C17 single SMA C16 H16 single SMA C17 C18 double SMA C17 H17 single SMA C18 C19 single SMA C18 H18 single SMA C19 C20 double SMA C19 C26 single SMA C20 C21 single SMA C20 H20 single SMA C21 H211 single SMA C21 H212 single SMA C21 H213 single SMA C22 H221 single SMA C22 H222 single SMA C22 H223 single SMA C23 O12 single SMA C23 H231 single SMA C23 H232 single SMA C23 H233 single SMA C24 H241 single SMA C24 H242 single SMA C24 H243 single SMA C25 O14 single SMA C25 H251 single SMA C25 H252 single SMA C25 H253 single SMA C26 H261 single SMA C26 H262 single SMA C26 H263 single SMA O8 HO8 single