# 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 SB3 SB3 '1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHY' non-polymer 68 33 M # data_comp_SB3 # 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 SB3 C1 C . 0.000 SB3 C2 C . 0.000 SB3 C3 C . 0.000 SB3 C4 C . 0.000 SB3 C5 C . 0.000 SB3 C6 C . 0.000 SB3 N7 N . 0.000 SB3 O1 O . 0.000 SB3 O2 O . 0.000 SB3 C8 C . 0.000 SB3 O3 O . 0.000 SB3 C9 C . 0.000 SB3 O4 O . 0.000 SB3 C10 C . 0.000 SB3 C11 C . 0.000 SB3 C12 C . 0.000 SB3 C13 C . 0.000 SB3 C14 C . 0.000 SB3 C15 C . 0.000 SB3 C16 C . 0.000 SB3 C17 C . 0.000 SB3 C18 C . 0.000 SB3 C19 C . 0.000 SB3 C20 C . 0.000 SB3 C21 C . 0.000 SB3 C22 C . 0.000 SB3 C23 C . 0.000 SB3 C24 C . 0.000 SB3 C25 C . 0.000 SB3 C26 C . 0.000 SB3 C27 C . 0.000 SB3 C28 C . 0.000 SB3 C29 C . 0.000 SB3 H2 H . 0.000 SB3 H31 H . 0.000 SB3 H32 H . 0.000 SB3 H41 H . 0.000 SB3 H42 H . 0.000 SB3 H51 H . 0.000 SB3 H52 H . 0.000 SB3 H61 H . 0.000 SB3 H62 H . 0.000 SB3 H111 H . 0.000 SB3 H112 H . 0.000 SB3 H121 H . 0.000 SB3 H122 H . 0.000 SB3 H123 H . 0.000 SB3 H131 H . 0.000 SB3 H132 H . 0.000 SB3 H133 H . 0.000 SB3 H141 H . 0.000 SB3 H142 H . 0.000 SB3 H143 H . 0.000 SB3 H15 H . 0.000 SB3 H161 H . 0.000 SB3 H162 H . 0.000 SB3 H171 H . 0.000 SB3 H172 H . 0.000 SB3 H19 H . 0.000 SB3 H20 H . 0.000 SB3 H21 H . 0.000 SB3 H22 H . 0.000 SB3 H23 H . 0.000 SB3 H25 H . 0.000 SB3 H26 H . 0.000 SB3 H27 H . 0.000 SB3 H28 H . 0.000 SB3 H29 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 SB3 C1 C2 single SB3 C1 O1 double SB3 C1 O2 single SB3 C2 N7 single SB3 C2 C3 single SB3 C2 H2 single SB3 C3 C4 single SB3 C3 H31 single SB3 C3 H32 single SB3 C4 C5 single SB3 C4 H41 single SB3 C4 H42 single SB3 C5 C6 single SB3 C5 H51 single SB3 C5 H52 single SB3 C6 N7 single SB3 C6 H61 single SB3 C6 H62 single SB3 N7 C8 single SB3 O2 C15 single SB3 C8 C9 single SB3 C8 O3 double SB3 C9 C10 single SB3 C9 O4 double SB3 C10 C11 single SB3 C10 C13 single SB3 C10 C14 single SB3 C11 C12 single SB3 C11 H111 single SB3 C11 H112 single SB3 C12 H121 single SB3 C12 H122 single SB3 C12 H123 single SB3 C13 H131 single SB3 C13 H132 single SB3 C13 H133 single SB3 C14 H141 single SB3 C14 H142 single SB3 C14 H143 single SB3 C15 C16 single SB3 C15 C24 single SB3 C15 H15 single SB3 C16 C17 single SB3 C16 H161 single SB3 C16 H162 single SB3 C17 C18 single SB3 C17 H171 single SB3 C17 H172 single SB3 C18 C19 double SB3 C18 C23 single SB3 C19 C20 single SB3 C19 H19 single SB3 C20 C21 double SB3 C20 H20 single SB3 C21 C22 single SB3 C21 H21 single SB3 C22 C23 double SB3 C22 H22 single SB3 C23 H23 single SB3 C24 C25 double SB3 C24 C29 single SB3 C25 C26 single SB3 C25 H25 single SB3 C26 C27 double SB3 C26 H26 single SB3 C27 C28 single SB3 C27 H27 single SB3 C28 C29 double SB3 C28 H28 single SB3 C29 H29 single