# 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 DA6 DA6 '6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHY' non-polymer 45 24 M # data_comp_DA6 # 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 DA6 C1 C . 0.000 DA6 C2 C . 0.000 DA6 C3 C . 0.000 DA6 C4 C . 0.000 DA6 C5 C . 0.000 DA6 C6 C . 0.000 DA6 C7 C . 0.000 DA6 C8 C . 0.000 DA6 C9 C . 0.000 DA6 N9 N . 1.000 DA6 N10 N . 1.000 DA6 C11 C . 0.000 DA6 C12 C . 0.000 DA6 C13 C . 0.000 DA6 C14 C . 0.000 DA6 BR BR . 0.000 DA6 CD1 C . 0.000 DA6 OD1 O . 0.000 DA6 ND1 N . 0.000 DA6 CD2 C . 0.000 DA6 CD3 C . 0.000 DA6 ND2 N . 0.000 DA6 CD7 C . 0.000 DA6 CD8 C . 0.000 DA6 H1 H . 0.000 DA6 H2 H . 0.000 DA6 H3 H . 0.000 DA6 H5 H . 0.000 DA6 H7 H . 0.000 DA6 H8 H . 0.000 DA6 HN91 H . 0.000 DA6 HN92 H . 0.000 DA6 HN93 H . 0.000 DA6 H10 H . 0.000 DA6 HND1 H . 0.000 DA6 HD21 H . 0.000 DA6 HD22 H . 0.000 DA6 HD31 H . 0.000 DA6 HD32 H . 0.000 DA6 HD71 H . 0.000 DA6 HD72 H . 0.000 DA6 HD73 H . 0.000 DA6 HD81 H . 0.000 DA6 HD82 H . 0.000 DA6 HD83 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 DA6 C1 C2 double DA6 C1 C11 single DA6 C1 H1 single DA6 C2 C3 single DA6 C2 H2 single DA6 C3 C4 double DA6 C3 H3 single DA6 C4 C12 single DA6 C4 CD1 single DA6 C5 C6 double DA6 C5 C14 single DA6 C5 H5 single DA6 C6 C7 single DA6 C6 BR single DA6 C7 C8 double DA6 C7 H7 single DA6 C8 C13 single DA6 C8 H8 single DA6 C9 N9 single DA6 C9 C11 double DA6 C9 C13 single DA6 N9 HN91 single DA6 N9 HN92 single DA6 N9 HN93 single DA6 N10 C12 double DA6 N10 C14 single DA6 N10 H10 single DA6 C11 C12 single DA6 C13 C14 double DA6 CD1 OD1 double DA6 CD1 ND1 single DA6 ND1 CD2 single DA6 ND1 HND1 single DA6 CD2 CD3 single DA6 CD2 HD21 single DA6 CD2 HD22 single DA6 CD3 ND2 single DA6 CD3 HD31 single DA6 CD3 HD32 single DA6 ND2 CD7 single DA6 ND2 CD8 single DA6 CD7 HD71 single DA6 CD7 HD72 single DA6 CD7 HD73 single DA6 CD8 HD81 single DA6 CD8 HD82 single DA6 CD8 HD83 single