# 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 AMI AMI 'ALLOSAMIZOLINE ' non-polymer 31 15 M # data_comp_AMI # 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 AMI C1 C . 0.000 AMI C2 C . 0.000 AMI C3 C . 0.000 AMI C4 C . 0.000 AMI C5 C . 0.000 AMI C6 C . 0.000 AMI C7 C . 0.000 AMI C8 C . 0.000 AMI C9 C . 0.000 AMI N2 N . 0.000 AMI N7 N . 0.000 AMI O3 O . 0.000 AMI O4 O . 0.000 AMI O6 O . 0.000 AMI O7 O . 0.000 AMI H1 H . 0.000 AMI H2 H . 0.000 AMI H3 H . 0.000 AMI H4 H . 0.000 AMI H5 H . 0.000 AMI H61 H . 0.000 AMI H62 H . 0.000 AMI H81 H . 0.000 AMI H82 H . 0.000 AMI H83 H . 0.000 AMI H91 H . 0.000 AMI H92 H . 0.000 AMI H93 H . 0.000 AMI HO3 H . 0.000 AMI HO4 H . 0.000 AMI HO6 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 AMI C1 C2 single AMI C1 C5 single AMI C1 O7 single AMI C1 H1 single AMI C2 C3 single AMI C2 N2 single AMI C2 H2 single AMI C3 C4 single AMI C3 O3 single AMI C3 H3 single AMI C4 C5 single AMI C4 O4 single AMI C4 H4 single AMI C5 C6 single AMI C5 H5 single AMI C6 O6 single AMI C6 H61 single AMI C6 H62 single AMI C7 N2 double AMI C7 N7 single AMI C7 O7 single AMI C8 N7 single AMI C8 H81 single AMI C8 H82 single AMI C8 H83 single AMI C9 N7 single AMI C9 H91 single AMI C9 H92 single AMI C9 H93 single AMI O3 HO3 single AMI O4 HO4 single AMI O6 HO6 single