#
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
ASE      ASE 'N-ACETYL SEROTONIN                  ' non-polymer        30  16 M
#
data_comp_ASE
#
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
 ASE           C1     C    .         0.000
 ASE           C2     C    .         0.000
 ASE           C3     C    .         0.000
 ASE           C4     C    .         0.000
 ASE           C5     C    .         0.000
 ASE           C6     C    .         0.000
 ASE           C7     C    .         0.000
 ASE           C8     C    .         0.000
 ASE           N9     N    .         0.000
 ASE           O10    O    .         0.000
 ASE           C11    C    .         0.000
 ASE           C12    C    .         0.000
 ASE           N13    N    .         0.000
 ASE           C14    C    .         0.000
 ASE           C15    C    .         0.000
 ASE           O16    O    .         0.000
 ASE           H2     H    .         0.000
 ASE           H4     H    .         0.000
 ASE           H5     H    .         0.000
 ASE           H8     H    .         0.000
 ASE           HN9    H    .         0.000
 ASE           HO0    H    .         0.000
 ASE           H111   H    .         0.000
 ASE           H112   H    .         0.000
 ASE           H121   H    .         0.000
 ASE           H122   H    .         0.000
 ASE           HN3    H    .         0.000
 ASE           H151   H    .         0.000
 ASE           H152   H    .         0.000
 ASE           H153   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
 ASE        C1     C2        double
 ASE        C1     C4        single
 ASE        C1     O10       single
 ASE        C2     C3        single
 ASE        C2     H2        single
 ASE        C3     C6        double
 ASE        C3     C7        single
 ASE        C4     C5        double
 ASE        C4     H4        single
 ASE        C5     C6        single
 ASE        C5     H5        single
 ASE        C6     N9        single
 ASE        C7     C8        double
 ASE        C7     C11       single
 ASE        C8     N9        single
 ASE        C8     H8        single
 ASE        N9     HN9       single
 ASE        O10    HO0       single
 ASE        C11    C12       single
 ASE        C11    H111      single
 ASE        C11    H112      single
 ASE        C12    N13       single
 ASE        C12    H121      single
 ASE        C12    H122      single
 ASE        N13    C14       single
 ASE        N13    HN3       single
 ASE        C14    C15       single
 ASE        C14    O16       double
 ASE        C15    H151      single
 ASE        C15    H152      single
 ASE        C15    H153      single