#
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
BM2      BM2 '-2-[(2-NAPHTHALENYLSUL              ' non-polymer        67  35 M
#
data_comp_BM2
#
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
 BM2           C1     C    .         0.000
 BM2           C2     C    .         0.000
 BM2           C3     C    .         0.000
 BM2           C4     C    .         0.000
 BM2           C5     C    .         0.000
 BM2           C6     C    .         0.000
 BM2           C7     C    .         0.000
 BM2           C8     C    .         0.000
 BM2           C9     C    .         0.000
 BM2           C10    C    .         0.000
 BM2           S11    S    .         0.000
 BM2           O12    O    .         0.000
 BM2           O13    O    .         0.000
 BM2           N14    N    .         0.000
 BM2           C15    C    .         0.000
 BM2           C16    C    .         0.000
 BM2           O17    O    .         0.000
 BM2           C18    C    .         0.000
 BM2           O19    O    .         0.000
 BM2           N20    N    .         0.000
 BM2           C21    C    .         0.000
 BM2           C22    C    .         0.000
 BM2           C23    C    .         0.000
 BM2           C24    C    .         0.000
 BM2           C25    C    .         0.000
 BM2           N26    N    .         0.000
 BM2           C27    C    .         0.000
 BM2           O28    O    .         0.000
 BM2           C29    C    .         0.000
 BM2           C30    C    .         0.000
 BM2           C31    C    .         0.000
 BM2           N32    N    .         0.000
 BM2           C33    C    .         0.000
 BM2           N34    N    .         0.000
 BM2           N35    N    .         0.000
 BM2           H2     H    .         0.000
 BM2           H3     H    .         0.000
 BM2           H4     H    .         0.000
 BM2           H5     H    .         0.000
 BM2           H6     H    .         0.000
 BM2           H7     H    .         0.000
 BM2           H8     H    .         0.000
 BM2           HN4    H    .         0.000
 BM2           H15    H    .         0.000
 BM2           H161   H    .         0.000
 BM2           H162   H    .         0.000
 BM2           HO7    H    .         0.000
 BM2           H211   H    .         0.000
 BM2           H212   H    .         0.000
 BM2           H221   H    .         0.000
 BM2           H222   H    .         0.000
 BM2           H231   H    .         0.000
 BM2           H232   H    .         0.000
 BM2           H24    H    .         0.000
 BM2           H251   H    .         0.000
 BM2           H252   H    .         0.000
 BM2           HN6    H    .         0.000
 BM2           H291   H    .         0.000
 BM2           H292   H    .         0.000
 BM2           H301   H    .         0.000
 BM2           H302   H    .         0.000
 BM2           H311   H    .         0.000
 BM2           H312   H    .         0.000
 BM2           HN2    H    .         0.000
 BM2           HN41   H    .         0.000
 BM2           HN42   H    .         0.000
 BM2           HN5    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
 BM2        C1     C2        double
 BM2        C1     C8        single
 BM2        C1     S11       single
 BM2        C2     C9        single
 BM2        C2     H2        single
 BM2        C3     C4        double
 BM2        C3     C9        single
 BM2        C3     H3        single
 BM2        C4     C5        single
 BM2        C4     H4        single
 BM2        C5     C6        double
 BM2        C5     H5        single
 BM2        C6     C10       single
 BM2        C6     H6        single
 BM2        C7     C8        double
 BM2        C7     C10       single
 BM2        C7     H7        single
 BM2        C8     H8        single
 BM2        C9     C10       double
 BM2        S11    O12       double
 BM2        S11    O13       double
 BM2        S11    N14       single
 BM2        N14    C15       single
 BM2        N14    HN4       single
 BM2        C15    C16       single
 BM2        C15    C18       single
 BM2        C15    H15       single
 BM2        C16    O17       single
 BM2        C16    H161      single
 BM2        C16    H162      single
 BM2        O17    HO7       single
 BM2        C18    O19       double
 BM2        C18    N20       single
 BM2        N20    C21       single
 BM2        N20    C24       single
 BM2        C21    C22       single
 BM2        C21    H211      single
 BM2        C21    H212      single
 BM2        C22    C23       single
 BM2        C22    H221      single
 BM2        C22    H222      single
 BM2        C23    C24       single
 BM2        C23    H231      single
 BM2        C23    H232      single
 BM2        C24    C25       single
 BM2        C24    H24       single
 BM2        C25    N26       single
 BM2        C25    H251      single
 BM2        C25    H252      single
 BM2        N26    C27       single
 BM2        N26    HN6       single
 BM2        C27    O28       double
 BM2        C27    C29       single
 BM2        C29    C30       single
 BM2        C29    H291      single
 BM2        C29    H292      single
 BM2        C30    C31       single
 BM2        C30    H301      single
 BM2        C30    H302      single
 BM2        C31    N32       single
 BM2        C31    H311      single
 BM2        C31    H312      single
 BM2        N32    C33       single
 BM2        N32    HN2       single
 BM2        C33    N34       single
 BM2        C33    N35       double
 BM2        N34    HN41      single
 BM2        N34    HN42      single
 BM2        N35    HN5       single