# 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 PSF PSF '1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERI' non-polymer 64 30 M # data_comp_PSF # 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 PSF O2 O . 0.000 PSF O1 O . 0.000 PSF P P . 0.000 PSF O4 O . 0.000 PSF O3 O . 0.000 PSF C2 C . 0.000 PSF C3 C . 0.000 PSF O11 O . 0.000 PSF O12 O . 0.000 PSF C1 C . 0.000 PSF C4 C . 0.000 PSF C5 C . 0.000 PSF O51 O . 0.000 PSF O52 O . 0.000 PSF C6 C . 0.000 PSF C7 C . 0.000 PSF C13 C . 0.000 PSF C14 C . 0.000 PSF C15 C . 0.000 PSF N N . 0.000 PSF CA C . 0.000 PSF CB C . 0.000 PSF C C . 0.000 PSF OT1 O . 0.000 PSF OT2 O . 0.000 PSF C8 C . 0.000 PSF C9 C . 0.000 PSF C10 C . 0.000 PSF C16 C . 0.000 PSF C17 C . 0.000 PSF HXT H . 0.000 PSF HA H . 0.000 PSF H1 H . 0.000 PSF H2 H . 0.000 PSF HB1 H . 0.000 PSF HB2 H . 0.000 PSF HO3 H . 0.000 PSF H21 H . 0.000 PSF H22 H . 0.000 PSF H31 H . 0.000 PSF H41 H . 0.000 PSF H42 H . 0.000 PSF H61 H . 0.000 PSF H62 H . 0.000 PSF H71 H . 0.000 PSF H72 H . 0.000 PSF H131 H . 0.000 PSF H132 H . 0.000 PSF H141 H . 0.000 PSF H142 H . 0.000 PSF H151 H . 0.000 PSF H152 H . 0.000 PSF H81 H . 0.000 PSF H82 H . 0.000 PSF H91 H . 0.000 PSF H92 H . 0.000 PSF H101 H . 0.000 PSF H102 H . 0.000 PSF H103 H . 0.000 PSF H161 H . 0.000 PSF H162 H . 0.000 PSF H171 H . 0.000 PSF H172 H . 0.000 PSF H173 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 PSF O2 P single PSF O2 C2 single PSF O1 P single PSF O1 CB single PSF P O4 double PSF P O3 single PSF O3 HO3 single PSF C2 C3 single PSF C2 H21 single PSF C2 H22 single PSF C3 O11 single PSF C3 C4 single PSF C3 H31 single PSF O11 C1 single PSF O12 C1 double PSF C1 C13 single PSF C4 O52 single PSF C4 H41 single PSF C4 H42 single PSF C5 O51 double PSF C5 O52 single PSF C5 C6 single PSF C6 C7 single PSF C6 H61 single PSF C6 H62 single PSF C7 H71 single PSF C7 H72 single PSF C7 C8 single PSF C13 C14 single PSF C13 H131 single PSF C13 H132 single PSF C14 C15 single PSF C14 H141 single PSF C14 H142 single PSF C15 H151 single PSF C15 H152 single PSF C15 C16 single PSF N CA single PSF N H1 single PSF N H2 single PSF CA CB single PSF CA C single PSF CA HA single PSF CB HB1 single PSF CB HB2 single PSF C OT1 double PSF C OT2 single PSF OT2 HXT single PSF C8 C9 single PSF C8 H81 single PSF C8 H82 single PSF C9 C10 single PSF C9 H91 single PSF C9 H92 single PSF C10 H101 single PSF C10 H102 single PSF C10 H103 single PSF C16 C17 single PSF C16 H161 single PSF C16 H162 single PSF C17 H171 single PSF C17 H172 single PSF C17 H173 single