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
CYT      CYT '6-AMINOPYRIMIDIN-2(1H)-ONE          ' non-polymer        13   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CYT
#
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
 CYT           O2     O    O         0.000      0.000    0.000    0.000
 CYT           C2     C    CR6       0.000     -1.007    0.385    0.597
 CYT           N3     N    NR16      0.000     -0.933    1.465    1.475
 CYT           HN3    H    H         0.000     -0.013    1.931    1.610
 CYT           N1     N    NRD6      0.000     -2.237   -0.226    0.426
 CYT           C6     C    CR16      0.000     -3.248    0.237    1.088
 CYT           H6     H    H         0.000     -4.201   -0.255    0.942
 CYT           C5     C    CR16      0.000     -3.215    1.373    2.024
 CYT           H5     H    H         0.000     -4.094    1.720    2.553
 CYT           C4     C    CR6       0.000     -2.015    1.943    2.170
 CYT           N4     N    NH2       0.000     -1.849    3.012    3.012
 CYT           HN42   H    H         0.000     -1.238    3.777    2.752
 CYT           HN41   H    H         0.000     -2.338    3.045    3.899
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
 CYT      O2     n/a    C2     START
 CYT      C2     O2     N1     .
 CYT      N3     C2     HN3    .
 CYT      HN3    N3     .      .
 CYT      N1     C2     C6     .
 CYT      C6     N1     C5     .
 CYT      H6     C6     .      .
 CYT      C5     C6     C4     .
 CYT      H5     C5     .      .
 CYT      C4     C5     N4     .
 CYT      N4     C4     HN41   .
 CYT      HN42   N4     .      .
 CYT      HN41   N4     .      END
 CYT      N3     C4     .    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
 CYT      N3     C4        single      1.337    0.020
 CYT      N3     C2        single      1.337    0.020
 CYT      HN3    N3        single      1.040    0.020
 CYT      N4     C4        single      1.355    0.020
 CYT      C4     C5        double      1.390    0.020
 CYT      N1     C2        single      1.350    0.020
 CYT      C6     N1        double      1.337    0.020
 CYT      C2     O2        double      1.250    0.020
 CYT      HN41   N4        single      1.010    0.020
 CYT      HN42   N4        single      1.010    0.020
 CYT      C5     C6        single      1.390    0.020
 CYT      H5     C5        single      1.083    0.020
 CYT      H6     C6        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
 CYT      O2     C2     N3      120.000    3.000
 CYT      O2     C2     N1      120.000    3.000
 CYT      N3     C2     N1      120.000    3.000
 CYT      C2     N3     HN3     120.000    3.000
 CYT      C2     N3     C4      120.000    3.000
 CYT      HN3    N3     C4      120.000    3.000
 CYT      C2     N1     C6      120.000    3.000
 CYT      N1     C6     H6      120.000    3.000
 CYT      N1     C6     C5      120.000    3.000
 CYT      H6     C6     C5      120.000    3.000
 CYT      C6     C5     H5      120.000    3.000
 CYT      C6     C5     C4      120.000    3.000
 CYT      H5     C5     C4      120.000    3.000
 CYT      C5     C4     N4      120.000    3.000
 CYT      C5     C4     N3      120.000    3.000
 CYT      N4     C4     N3      120.000    3.000
 CYT      C4     N4     HN42    120.000    3.000
 CYT      C4     N4     HN41    120.000    3.000
 CYT      HN42   N4     HN41    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
 CYT      CONST_1  O2     C2     N3     C4       180.000    0.000   0
 CYT      CONST_2  C2     N3     C4     C5         0.000    0.000   0
 CYT      CONST_3  O2     C2     N1     C6       180.000    0.000   0
 CYT      CONST_4  C2     N1     C6     C5         0.000    0.000   0
 CYT      CONST_5  N1     C6     C5     C4         0.000    0.000   0
 CYT      CONST_6  C6     C5     C4     N4       180.000    0.000   0
 CYT      CONST_7  C5     C4     N4     HN41      38.774    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
 CYT      plan-1    N3        0.020
 CYT      plan-1    C4        0.020
 CYT      plan-1    C2        0.020
 CYT      plan-1    HN3       0.020
 CYT      plan-1    N1        0.020
 CYT      plan-1    C5        0.020
 CYT      plan-1    C6        0.020
 CYT      plan-1    N4        0.020
 CYT      plan-1    O2        0.020
 CYT      plan-1    H5        0.020
 CYT      plan-1    H6        0.020
 CYT      plan-1    HN42      0.020
 CYT      plan-1    HN41      0.020
 CYT      plan-2    N4        0.020
 CYT      plan-2    C4        0.020
 CYT      plan-2    HN41      0.020
 CYT      plan-2    HN42      0.020
# ------------------------------------------------------
