# 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 S5H S5H '5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCI' non-polymer 68 30 M # data_comp_S5H # 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 S5H C1 C . 0.000 S5H C2 C . 0.000 S5H C3 C . 0.000 S5H O3 O . 0.000 S5H C4 C . 0.000 S5H C5 C . 0.000 S5H C6 C . 0.000 S5H C7 C . 0.000 S5H C8 C . 0.000 S5H C9 C . 0.000 S5H C10 C . 0.000 S5H C11 C . 0.000 S5H C12 C . 0.000 S5H C13 C . 0.000 S5H C14 C . 0.000 S5H C15 C . 0.000 S5H C16 C . 0.000 S5H C17 C . 0.000 S5H C18 C . 0.000 S5H C19 C . 0.000 S5H C20 C . 0.000 S5H O20 O . 0.000 S5H C21 C . 0.000 S5H CH1 C . 0.000 S5H OH1 O . 0.000 S5H CH2 C . 0.000 S5H CH3 C . 0.000 S5H CH4 C . 0.000 S5H OH4 O . 0.000 S5H OH5 O . 0.000 S5H H11 H . 0.000 S5H H12 H . 0.000 S5H H21 H . 0.000 S5H H22 H . 0.000 S5H H3 H . 0.000 S5H H41 H . 0.000 S5H H42 H . 0.000 S5H H5 H . 0.000 S5H H61 H . 0.000 S5H H62 H . 0.000 S5H H71 H . 0.000 S5H H72 H . 0.000 S5H H8 H . 0.000 S5H H9 H . 0.000 S5H H111 H . 0.000 S5H H112 H . 0.000 S5H H121 H . 0.000 S5H H122 H . 0.000 S5H H14 H . 0.000 S5H H151 H . 0.000 S5H H152 H . 0.000 S5H H161 H . 0.000 S5H H162 H . 0.000 S5H H17 H . 0.000 S5H H181 H . 0.000 S5H H182 H . 0.000 S5H H183 H . 0.000 S5H H191 H . 0.000 S5H H192 H . 0.000 S5H H193 H . 0.000 S5H H211 H . 0.000 S5H H212 H . 0.000 S5H H213 H . 0.000 S5H HH21 H . 0.000 S5H HH22 H . 0.000 S5H HH31 H . 0.000 S5H HH32 H . 0.000 S5H HOH5 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 S5H C1 C2 single S5H C1 C10 single S5H C1 H11 single S5H C1 H12 single S5H C2 C3 single S5H C2 H21 single S5H C2 H22 single S5H C3 C4 single S5H C3 O3 single S5H C3 H3 single S5H O3 CH1 single S5H C4 C5 single S5H C4 H41 single S5H C4 H42 single S5H C5 C6 single S5H C5 C10 single S5H C5 H5 single S5H C6 C7 single S5H C6 H61 single S5H C6 H62 single S5H C7 C8 single S5H C7 H71 single S5H C7 H72 single S5H C8 C9 single S5H C8 C14 single S5H C8 H8 single S5H C9 C10 single S5H C9 C11 single S5H C9 H9 single S5H C10 C19 single S5H C11 C12 single S5H C11 H111 single S5H C11 H112 single S5H C12 C13 single S5H C12 H121 single S5H C12 H122 single S5H C13 C14 single S5H C13 C17 single S5H C13 C18 single S5H C14 C15 single S5H C14 H14 single S5H C15 C16 single S5H C15 H151 single S5H C15 H152 single S5H C16 C17 single S5H C16 H161 single S5H C16 H162 single S5H C17 C20 single S5H C17 H17 single S5H C18 H181 single S5H C18 H182 single S5H C18 H183 single S5H C19 H191 single S5H C19 H192 single S5H C19 H193 single S5H C20 C21 single S5H C20 O20 double S5H C21 H211 single S5H C21 H212 single S5H C21 H213 single S5H CH1 OH1 double S5H CH1 CH2 single S5H CH2 CH3 single S5H CH2 HH21 single S5H CH2 HH22 single S5H CH3 CH4 single S5H CH3 HH31 single S5H CH3 HH32 single S5H CH4 OH4 double S5H CH4 OH5 single S5H OH5 HOH5 single