#
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
GPP      GPP 'GERANYL DIPHOSPHATE                 ' non-polymer        39  19 M
#
data_comp_GPP
#
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
 GPP           C1     C    .         0.000
 GPP           O1     O    .         0.000
 GPP           C2     C    .         0.000
 GPP           C3     C    .         0.000
 GPP           C4     C    .         0.000
 GPP           C5     C    .         0.000
 GPP           C6     C    .         0.000
 GPP           C7     C    .         0.000
 GPP           C8     C    .         0.000
 GPP           C9     C    .         0.000
 GPP           C10    C    .         0.000
 GPP           PA     P    .         0.000
 GPP           O1A    O    .         0.000
 GPP           O2A    O    .         0.000
 GPP           O3A    O    .         0.000
 GPP           PB     P    .         0.000
 GPP           O1B    O    .         0.000
 GPP           O2B    O    .         0.000
 GPP           O3B    O    .         0.000
 GPP           H11    H    .         0.000
 GPP           H12    H    .         0.000
 GPP           H2     H    .         0.000
 GPP           H41    H    .         0.000
 GPP           H42    H    .         0.000
 GPP           H43    H    .         0.000
 GPP           H51    H    .         0.000
 GPP           H52    H    .         0.000
 GPP           H61    H    .         0.000
 GPP           H62    H    .         0.000
 GPP           H7     H    .         0.000
 GPP           H91    H    .         0.000
 GPP           H92    H    .         0.000
 GPP           H93    H    .         0.000
 GPP           H101   H    .         0.000
 GPP           H102   H    .         0.000
 GPP           H103   H    .         0.000
 GPP           HOA2   H    .         0.000
 GPP           HOB2   H    .         0.000
 GPP           HOB3   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
 GPP        C1     C2        single
 GPP        C1     O1        single
 GPP        C1     H11       single
 GPP        C1     H12       single
 GPP        O1     PA        single
 GPP        C2     C3        double
 GPP        C2     H2        single
 GPP        C3     C4        single
 GPP        C3     C5        single
 GPP        C4     H41       single
 GPP        C4     H42       single
 GPP        C4     H43       single
 GPP        C5     C6        single
 GPP        C5     H51       single
 GPP        C5     H52       single
 GPP        C6     C7        single
 GPP        C6     H61       single
 GPP        C6     H62       single
 GPP        C7     C8        double
 GPP        C7     H7        single
 GPP        C8     C9        single
 GPP        C8     C10       single
 GPP        C9     H91       single
 GPP        C9     H92       single
 GPP        C9     H93       single
 GPP        C10    H101      single
 GPP        C10    H102      single
 GPP        C10    H103      single
 GPP        PA     O1A       double
 GPP        PA     O2A       single
 GPP        PA     O3A       single
 GPP        O2A    HOA2      single
 GPP        O3A    PB        single
 GPP        PB     O1B       double
 GPP        PB     O2B       single
 GPP        PB     O3B       single
 GPP        O2B    HOB2      single
 GPP        O3B    HOB3      single