# 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 LCS LCS 'L-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXY' non-polymer 38 22 M # data_comp_LCS # 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 LCS N1 N . 0.000 LCS C2 C . 0.000 LCS C2A C . 0.000 LCS C3 C . 0.000 LCS O3 O . 0.000 LCS C4 C . 0.000 LCS C4A C . 0.000 LCS C5 C . 0.000 LCS C6 C . 0.000 LCS C5A C . 0.000 LCS O4P O . 0.000 LCS P P . 0.000 LCS O1P O . 0.000 LCS O2P O . 0.000 LCS O3P O . 0.000 LCS N N . 0.000 LCS CA C . 0.000 LCS C C . 0.000 LCS O O . 0.000 LCS ND N . 0.000 LCS OG O . 0.000 LCS CB C . 0.000 LCS H2A1 H . 0.000 LCS H2A2 H . 0.000 LCS H2A3 H . 0.000 LCS HO3 H . 0.000 LCS H4A1 H . 0.000 LCS H4A2 H . 0.000 LCS H5A1 H . 0.000 LCS H5A2 H . 0.000 LCS H6 H . 0.000 LCS HOP2 H . 0.000 LCS HOP3 H . 0.000 LCS HN H . 0.000 LCS HA H . 0.000 LCS HND H . 0.000 LCS HB1 H . 0.000 LCS HB2 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 LCS N1 C2 double LCS N1 C6 single LCS C2 C2A single LCS C2 C3 single LCS C2A H2A1 single LCS C2A H2A2 single LCS C2A H2A3 single LCS C3 O3 single LCS C3 C4 double LCS O3 HO3 single LCS C4 C4A single LCS C4 C5 single LCS C4A N single LCS C4A H4A1 single LCS C4A H4A2 single LCS C5 C6 double LCS C5 C5A single LCS C6 H6 single LCS C5A O4P single LCS C5A H5A1 single LCS C5A H5A2 single LCS O4P P single LCS P O1P double LCS P O2P single LCS P O3P single LCS O2P HOP2 single LCS O3P HOP3 single LCS N CA single LCS N HN single LCS CA CB single LCS CA C single LCS CA HA single LCS C ND single LCS C O double LCS ND OG single LCS ND HND single LCS OG CB single LCS CB HB1 single LCS CB HB2 single