#
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
W03      W03 '2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZ' non-polymer        46  24 M
#
data_comp_W03
#
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
 W03           O1     O    .         0.000
 W03           N2     N    .         0.000
 W03           C3     C    .         0.000
 W03           CM3    C    .         0.000
 W03           C4     C    .         0.000
 W03           C5     C    .         0.000
 W03           C1C    C    .         0.000
 W03           C2C    C    .         0.000
 W03           C3C    C    .         0.000
 W03           O1B    O    .         0.000
 W03           C1B    C    .         0.000
 W03           C2B    C    .         0.000
 W03           CM2    C    .         0.000
 W03           C3B    C    .         0.000
 W03           C4B    C    .         0.000
 W03           C5B    C    .         0.000
 W03           C6B    C    .         0.000
 W03           CM6    C    .         0.000
 W03           C2A    C    .         0.000
 W03           C1A    C    .         0.000
 W03           N3A    N    .         0.000
 W03           C4A    C    .         0.000
 W03           CM4    C    .         0.000
 W03           O5A    O    .         0.000
 W03           HM33   H    .         0.000
 W03           HM32   H    .         0.000
 W03           HM31   H    .         0.000
 W03           H4     H    .         0.000
 W03           H1C2   H    .         0.000
 W03           H1C1   H    .         0.000
 W03           H2C2   H    .         0.000
 W03           H2C1   H    .         0.000
 W03           H3C2   H    .         0.000
 W03           H3C1   H    .         0.000
 W03           HM23   H    .         0.000
 W03           HM22   H    .         0.000
 W03           HM21   H    .         0.000
 W03           H3B    H    .         0.000
 W03           H5B    H    .         0.000
 W03           HM63   H    .         0.000
 W03           HM62   H    .         0.000
 W03           HM61   H    .         0.000
 W03           H1A    H    .         0.000
 W03           HM43   H    .         0.000
 W03           HM42   H    .         0.000
 W03           HM41   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
 W03        O1     N2        single
 W03        O1     C5        single
 W03        N2     C3        double
 W03        C3     CM3       single
 W03        C3     C4        single
 W03        CM3    HM33      single
 W03        CM3    HM32      single
 W03        CM3    HM31      single
 W03        C4     C5        double
 W03        C4     H4        single
 W03        C5     C1C       single
 W03        C1C    C2C       single
 W03        C1C    H1C2      single
 W03        C1C    H1C1      single
 W03        C2C    C3C       single
 W03        C2C    H2C2      single
 W03        C2C    H2C1      single
 W03        C3C    O1B       single
 W03        C3C    H3C2      single
 W03        C3C    H3C1      single
 W03        O1B    C1B       single
 W03        C1B    C2B       AROM
 W03        C1B    C6B       AROM
 W03        C2B    CM2       single
 W03        C2B    C3B       AROM
 W03        CM2    HM23      single
 W03        CM2    HM22      single
 W03        CM2    HM21      single
 W03        C3B    C4B       AROM
 W03        C3B    H3B       single
 W03        C4B    C5B       AROM
 W03        C4B    C2A       single
 W03        C5B    C6B       AROM
 W03        C5B    H5B       single
 W03        C6B    CM6       single
 W03        CM6    HM63      single
 W03        CM6    HM62      single
 W03        CM6    HM61      single
 W03        C2A    C1A       double
 W03        C2A    N3A       single
 W03        C1A    O5A       single
 W03        C1A    H1A       single
 W03        N3A    C4A       double
 W03        C4A    CM4       single
 W03        C4A    O5A       single
 W03        CM4    HM43      single
 W03        CM4    HM42      single
 W03        CM4    HM41      single