global_
_lib_name         ?
_lib_version      ?
_lib_update       ?
# ------------------------------------------------
#
# ---   LIST OF MONOMERS ---
#
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
260      260 '2-(bromomethyl)-1,3-difluorobenzene ' non-polymer        15  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_260
#
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
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 260           FAB    F    F         0.000      0.000    0.000    0.000
 260           CAI    C    CR6       0.000     -0.636   -1.108    0.438
 260           CAJ    C    CR6       0.000     -1.914   -1.394   -0.009
 260           CAG    C    CH2       0.000     -2.598   -0.469   -0.983
 260           HAG2   H    H         0.000     -3.279   -1.044   -1.614
 260           HAG1   H    H         0.000     -1.847    0.017   -1.610
 260           BRAC   BR   BR        0.000     -3.611    0.894    0.007
 260           CAF    C    CR16      0.000     -0.011   -1.956    1.337
 260           HAF    H    H         0.000      0.986   -1.729    1.692
 260           CAD    C    CR16      0.000     -0.661   -3.092    1.781
 260           HAD    H    H         0.000     -0.170   -3.756    2.482
 260           CAE    C    CR16      0.000     -1.936   -3.382    1.332
 260           HAE    H    H         0.000     -2.443   -4.273    1.680
 260           CAH    C    CR6       0.000     -2.564   -2.532    0.437
 260           FAA    F    F         0.000     -3.809   -2.816   -0.002
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
 260      FAB    n/a    CAI    START
 260      CAI    FAB    CAF    .
 260      CAJ    CAI    CAG    .
 260      CAG    CAJ    BRAC   .
 260      HAG2   CAG    .      .
 260      HAG1   CAG    .      .
 260      BRAC   CAG    .      .
 260      CAF    CAI    CAD    .
 260      HAF    CAF    .      .
 260      CAD    CAF    CAE    .
 260      HAD    CAD    .      .
 260      CAE    CAD    CAH    .
 260      HAE    CAE    .      .
 260      CAH    CAE    FAA    .
 260      FAA    CAH    .      END
 260      CAJ    CAH    .    ADD
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
 260      BRAC   CAG       single      2.012    0.020
 260      CAG    CAJ       single      1.511    0.020
 260      CAJ    CAH       double      1.487    0.020
 260      CAJ    CAI       single      1.487    0.020
 260      FAA    CAH       single      1.345    0.020
 260      CAH    CAE       single      1.390    0.020
 260      CAE    CAD       double      1.390    0.020
 260      CAD    CAF       single      1.390    0.020
 260      CAF    CAI       double      1.390    0.020
 260      CAI    FAB       single      1.345    0.020
 260      HAG1   CAG       single      1.092    0.020
 260      HAG2   CAG       single      1.092    0.020
 260      HAE    CAE       single      1.083    0.020
 260      HAD    CAD       single      1.083    0.020
 260      HAF    CAF       single      1.083    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 260      FAB    CAI    CAJ     120.000    3.000
 260      FAB    CAI    CAF     120.000    3.000
 260      CAJ    CAI    CAF     120.000    3.000
 260      CAI    CAJ    CAG     120.000    3.000
 260      CAI    CAJ    CAH     120.000    3.000
 260      CAG    CAJ    CAH     120.000    3.000
 260      CAJ    CAG    HAG2    109.470    3.000
 260      CAJ    CAG    HAG1    109.470    3.000
 260      CAJ    CAG    BRAC    109.500    3.000
 260      HAG2   CAG    HAG1    107.900    3.000
 260      HAG2   CAG    BRAC    109.500    3.000
 260      HAG1   CAG    BRAC    109.500    3.000
 260      CAI    CAF    HAF     120.000    3.000
 260      CAI    CAF    CAD     120.000    3.000
 260      HAF    CAF    CAD     120.000    3.000
 260      CAF    CAD    HAD     120.000    3.000
 260      CAF    CAD    CAE     120.000    3.000
 260      HAD    CAD    CAE     120.000    3.000
 260      CAD    CAE    HAE     120.000    3.000
 260      CAD    CAE    CAH     120.000    3.000
 260      HAE    CAE    CAH     120.000    3.000
 260      CAE    CAH    FAA     120.000    3.000
 260      CAE    CAH    CAJ     120.000    3.000
 260      FAA    CAH    CAJ     120.000    3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 260      CONST_1  FAB    CAI    CAJ    CAG        0.000    0.000   0
 260      CONST_2  CAI    CAJ    CAH    CAE        0.000    0.000   0
 260      var_1    CAI    CAJ    CAG    BRAC     -90.218   20.000   2
 260      CONST_3  FAB    CAI    CAF    CAD      180.000    0.000   0
 260      CONST_4  CAI    CAF    CAD    CAE        0.000    0.000   0
 260      CONST_5  CAF    CAD    CAE    CAH        0.000    0.000   0
 260      CONST_6  CAD    CAE    CAH    FAA      180.000    0.000   0
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 260      plan-1    CAJ       0.020
 260      plan-1    CAG       0.020
 260      plan-1    CAH       0.020
 260      plan-1    CAI       0.020
 260      plan-1    CAE       0.020
 260      plan-1    CAD       0.020
 260      plan-1    CAF       0.020
 260      plan-1    FAA       0.020
 260      plan-1    HAE       0.020
 260      plan-1    HAD       0.020
 260      plan-1    HAF       0.020
 260      plan-1    FAB       0.020
# ------------------------------------------------------
