#
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
TRD      TRD 'TRIDECANE                           ' non-polymer        41  13 M
#
data_comp_TRD
#
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
 TRD           C1     C    .         0.000
 TRD           C2     C    .         0.000
 TRD           C3     C    .         0.000
 TRD           C4     C    .         0.000
 TRD           C5     C    .         0.000
 TRD           C6     C    .         0.000
 TRD           C7     C    .         0.000
 TRD           C8     C    .         0.000
 TRD           C9     C    .         0.000
 TRD           C10    C    .         0.000
 TRD           C11    C    .         0.000
 TRD           C12    C    .         0.000
 TRD           C13    C    .         0.000
 TRD           H11    H    .         0.000
 TRD           H12    H    .         0.000
 TRD           H13    H    .         0.000
 TRD           H21    H    .         0.000
 TRD           H22    H    .         0.000
 TRD           H31    H    .         0.000
 TRD           H32    H    .         0.000
 TRD           H41    H    .         0.000
 TRD           H42    H    .         0.000
 TRD           H51    H    .         0.000
 TRD           H52    H    .         0.000
 TRD           H61    H    .         0.000
 TRD           H62    H    .         0.000
 TRD           H71    H    .         0.000
 TRD           H72    H    .         0.000
 TRD           H81    H    .         0.000
 TRD           H82    H    .         0.000
 TRD           H91    H    .         0.000
 TRD           H92    H    .         0.000
 TRD           H101   H    .         0.000
 TRD           H102   H    .         0.000
 TRD           H111   H    .         0.000
 TRD           H112   H    .         0.000
 TRD           H121   H    .         0.000
 TRD           H122   H    .         0.000
 TRD           H131   H    .         0.000
 TRD           H132   H    .         0.000
 TRD           H133   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
 TRD        C1     C2        single
 TRD        C1     H11       single
 TRD        C1     H12       single
 TRD        C1     H13       single
 TRD        C2     C3        single
 TRD        C2     H21       single
 TRD        C2     H22       single
 TRD        C3     C4        single
 TRD        C3     H31       single
 TRD        C3     H32       single
 TRD        C4     C5        single
 TRD        C4     H41       single
 TRD        C4     H42       single
 TRD        C5     C6        single
 TRD        C5     H51       single
 TRD        C5     H52       single
 TRD        C6     C7        single
 TRD        C6     H61       single
 TRD        C6     H62       single
 TRD        C7     C8        single
 TRD        C7     H71       single
 TRD        C7     H72       single
 TRD        C8     C9        single
 TRD        C8     H81       single
 TRD        C8     H82       single
 TRD        C9     C10       single
 TRD        C9     H91       single
 TRD        C9     H92       single
 TRD        C10    C11       single
 TRD        C10    H101      single
 TRD        C10    H102      single
 TRD        C11    C12       single
 TRD        C11    H111      single
 TRD        C11    H112      single
 TRD        C12    C13       single
 TRD        C12    H121      single
 TRD        C12    H122      single
 TRD        C13    H131      single
 TRD        C13    H132      single
 TRD        C13    H133      single