# 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 CRT CRT 'SPIRILLOXANTHIN ' non-polymer 104 44 M # data_comp_CRT # 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 CRT C1M C . 0.000 CRT O1 O . 0.000 CRT C1 C . 0.000 CRT C2 C . 0.000 CRT C3 C . 0.000 CRT C4 C . 0.000 CRT C5 C . 0.000 CRT C6 C . 0.000 CRT C7 C . 0.000 CRT C8 C . 0.000 CRT C9 C . 0.000 CRT C10 C . 0.000 CRT C11 C . 0.000 CRT C12 C . 0.000 CRT C13 C . 0.000 CRT C14 C . 0.000 CRT C15 C . 0.000 CRT C16 C . 0.000 CRT C17 C . 0.000 CRT C18 C . 0.000 CRT C19 C . 0.000 CRT C20 C . 0.000 CRT C21 C . 0.000 CRT C22 C . 0.000 CRT C23 C . 0.000 CRT C24 C . 0.000 CRT C25 C . 0.000 CRT C26 C . 0.000 CRT C27 C . 0.000 CRT C28 C . 0.000 CRT C29 C . 0.000 CRT C30 C . 0.000 CRT C31 C . 0.000 CRT C32 C . 0.000 CRT C33 C . 0.000 CRT C34 C . 0.000 CRT C35 C . 0.000 CRT C36 C . 0.000 CRT C37 C . 0.000 CRT C38 C . 0.000 CRT C39 C . 0.000 CRT C40 C . 0.000 CRT O2 O . 0.000 CRT C2M C . 0.000 CRT H1M1 H . 0.000 CRT H1M2 H . 0.000 CRT H1M3 H . 0.000 CRT H21 H . 0.000 CRT H22 H . 0.000 CRT H23 H . 0.000 CRT H31 H . 0.000 CRT H32 H . 0.000 CRT H33 H . 0.000 CRT H41 H . 0.000 CRT H42 H . 0.000 CRT H5 H . 0.000 CRT H6 H . 0.000 CRT H81 H . 0.000 CRT H82 H . 0.000 CRT H83 H . 0.000 CRT H9 H . 0.000 CRT H10 H . 0.000 CRT H11 H . 0.000 CRT H131 H . 0.000 CRT H132 H . 0.000 CRT H133 H . 0.000 CRT H14 H . 0.000 CRT H15 H . 0.000 CRT H16 H . 0.000 CRT H181 H . 0.000 CRT H182 H . 0.000 CRT H183 H . 0.000 CRT H19 H . 0.000 CRT H20 H . 0.000 CRT H_21 H . 0.000 CRT H_22 H . 0.000 CRT H241 H . 0.000 CRT H242 H . 0.000 CRT H243 H . 0.000 CRT H25 H . 0.000 CRT H26 H . 0.000 CRT H27 H . 0.000 CRT H291 H . 0.000 CRT H292 H . 0.000 CRT H293 H . 0.000 CRT H30 H . 0.000 CRT H_31 H . 0.000 CRT H_32 H . 0.000 CRT H341 H . 0.000 CRT H342 H . 0.000 CRT H343 H . 0.000 CRT H35 H . 0.000 CRT H36 H . 0.000 CRT H371 H . 0.000 CRT H372 H . 0.000 CRT H391 H . 0.000 CRT H392 H . 0.000 CRT H393 H . 0.000 CRT H401 H . 0.000 CRT H402 H . 0.000 CRT H403 H . 0.000 CRT H2M1 H . 0.000 CRT H2M2 H . 0.000 CRT H2M3 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 CRT C1M O1 single CRT C1M H1M1 single CRT C1M H1M2 single CRT C1M H1M3 single CRT O1 C1 single CRT C1 C2 single CRT C1 C3 single CRT C1 C4 single CRT C2 H21 single CRT C2 H22 single CRT C2 H23 single CRT C3 H31 single CRT C3 H32 single CRT C3 H33 single CRT C4 C5 single CRT C4 H41 single CRT C4 H42 single CRT C5 C6 double CRT C5 H5 single CRT C6 C7 single CRT C6 H6 single CRT C7 C8 single CRT C7 C9 double CRT C8 H81 single CRT C8 H82 single CRT C8 H83 single CRT C9 C10 single CRT C9 H9 single CRT C10 C11 double CRT C10 H10 single CRT C11 C12 single CRT C11 H11 single CRT C12 C13 single CRT C12 C14 double CRT C13 H131 single CRT C13 H132 single CRT C13 H133 single CRT C14 C15 single CRT C14 H14 single CRT C15 C16 double CRT C15 H15 single CRT C16 C17 single CRT C16 H16 single CRT C17 C18 single CRT C17 C19 double CRT C18 H181 single CRT C18 H182 single CRT C18 H183 single CRT C19 C20 single CRT C19 H19 single CRT C20 C21 double CRT C20 H20 single CRT C21 C22 single CRT C21 H_21 single CRT C22 C23 double CRT C22 H_22 single CRT C23 C24 single CRT C23 C25 single CRT C24 H241 single CRT C24 H242 single CRT C24 H243 single CRT C25 C26 double CRT C25 H25 single CRT C26 C27 single CRT C26 H26 single CRT C27 C28 double CRT C27 H27 single CRT C28 C29 single CRT C28 C30 single CRT C29 H291 single CRT C29 H292 single CRT C29 H293 single CRT C30 C31 double CRT C30 H30 single CRT C31 C32 single CRT C31 H_31 single CRT C32 C33 double CRT C32 H_32 single CRT C33 C34 single CRT C33 C35 single CRT C34 H341 single CRT C34 H342 single CRT C34 H343 single CRT C35 C36 double CRT C35 H35 single CRT C36 C37 single CRT C36 H36 single CRT C37 C38 single CRT C37 H371 single CRT C37 H372 single CRT C38 C39 single CRT C38 C40 single CRT C38 O2 single CRT C39 H391 single CRT C39 H392 single CRT C39 H393 single CRT C40 H401 single CRT C40 H402 single CRT C40 H403 single CRT O2 C2M single CRT C2M H2M1 single CRT C2M H2M2 single CRT C2M H2M3 single