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
CFP      CFP '6-CHLORO-2-FLUOROPURINE             ' non-polymer        13  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CFP
#
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
 CFP           F2     F    F         0.000      0.000    0.000    0.000
 CFP           C2     C    CR6       0.000     -1.311   -0.001    0.327
 CFP           N1     N    NRD6      0.000     -1.650    0.000    1.605
 CFP           C6     C    CR6       0.000     -2.918    0.000    1.981
 CFP           CL6    CL   CL        0.000     -3.345    0.000    3.663
 CFP           N3     N    NRD6      0.000     -2.207    0.004   -0.639
 CFP           C4     C    CR56      0.000     -3.502    0.000   -0.355
 CFP           N9     N    NR15      0.000     -4.658    0.000   -1.094
 CFP           HN9    H    H         0.000     -4.724    0.000   -2.132
 CFP           C5     C    CR56      0.000     -3.906    0.000    0.995
 CFP           N7     N    NRD5      0.000     -5.263    0.000    1.004
 CFP           C8     C    CR15      0.000     -5.704    0.000   -0.220
 CFP           H8     H    H         0.000     -6.750    0.000   -0.503
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
 CFP      F2     n/a    C2     START
 CFP      C2     F2     N3     .
 CFP      N1     C2     C6     .
 CFP      C6     N1     CL6    .
 CFP      CL6    C6     .      .
 CFP      N3     C2     C4     .
 CFP      C4     N3     C5     .
 CFP      N9     C4     HN9    .
 CFP      HN9    N9     .      .
 CFP      C5     C4     N7     .
 CFP      N7     C5     C8     .
 CFP      C8     N7     H8     .
 CFP      H8     C8     .      END
 CFP      N9     C8     .    ADD
 CFP      C5     C6     .    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
 CFP      N9     C8        single      1.350    0.020
 CFP      N9     C4        single      1.340    0.020
 CFP      HN9    N9        single      1.040    0.020
 CFP      C8     N7        double      1.350    0.020
 CFP      H8     C8        single      1.083    0.020
 CFP      N7     C5        single      1.350    0.020
 CFP      C5     C6        single      1.490    0.020
 CFP      C5     C4        double      1.490    0.020
 CFP      CL6    C6        single      1.795    0.020
 CFP      C6     N1        double      1.350    0.020
 CFP      N1     C2        single      1.350    0.020
 CFP      N3     C2        double      1.350    0.020
 CFP      C2     F2        single      1.345    0.020
 CFP      C4     N3        single      1.355    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
 CFP      F2     C2     N1      120.000    3.000
 CFP      F2     C2     N3      120.000    3.000
 CFP      N1     C2     N3      120.000    3.000
 CFP      C2     N1     C6      120.000    3.000
 CFP      N1     C6     CL6     120.000    3.000
 CFP      N1     C6     C5      120.000    3.000
 CFP      CL6    C6     C5      120.000    3.000
 CFP      C2     N3     C4      120.000    3.000
 CFP      N3     C4     N9      132.000    3.000
 CFP      N3     C4     C5      120.000    3.000
 CFP      N9     C4     C5      108.000    3.000
 CFP      C4     N9     HN9     126.000    3.000
 CFP      C4     N9     C8      108.000    3.000
 CFP      HN9    N9     C8      126.000    3.000
 CFP      C4     C5     N7      108.000    3.000
 CFP      C4     C5     C6      120.000    3.000
 CFP      N7     C5     C6      132.000    3.000
 CFP      C5     N7     C8      108.000    3.000
 CFP      N7     C8     H8      126.000    3.000
 CFP      N7     C8     N9      108.000    3.000
 CFP      H8     C8     N9      126.000    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
 CFP      CONST_1  F2     C2     N1     C6       180.000    0.000   0
 CFP      CONST_2  C2     N1     C6     CL6      180.000    0.000   0
 CFP      CONST_3  F2     C2     N3     C4       180.000    0.000   0
 CFP      CONST_4  C2     N3     C4     C5         0.000    0.000   0
 CFP      CONST_5  N3     C4     N9     C8       180.000    0.000   0
 CFP      CONST_6  C4     N9     C8     N7         0.000    0.000   0
 CFP      CONST_7  N3     C4     C5     N7       180.000    0.000   0
 CFP      CONST_8  C4     C5     C6     N1         0.000    0.000   0
 CFP      CONST_9  C4     C5     N7     C8         0.000    0.000   0
 CFP      CONST_10 C5     N7     C8     N9         0.000    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
 CFP      plan-1    N9        0.020
 CFP      plan-1    C8        0.020
 CFP      plan-1    C4        0.020
 CFP      plan-1    HN9       0.020
 CFP      plan-1    N7        0.020
 CFP      plan-1    H8        0.020
 CFP      plan-1    C5        0.020
 CFP      plan-1    C6        0.020
 CFP      plan-1    N1        0.020
 CFP      plan-1    C2        0.020
 CFP      plan-1    N3        0.020
 CFP      plan-1    CL6       0.020
 CFP      plan-1    F2        0.020
# ------------------------------------------------------
