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
CNN      CNN 'CYANAMIDE                           ' non-polymer         5   3 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CNN
#
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
 CNN           N2     N    NS        0.000      0.000    0.000    0.000
 CNN           C      C    CSP       0.000     -0.900    0.000    0.694
 CNN           N1     N    NH2       0.000     -1.972    0.000    1.520
 CNN           HN12   H    H         0.000     -1.858   -0.001    2.537
 CNN           HN11   H    H         0.000     -2.926    0.001    1.151
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
 CNN      N2     n/a    C      START
 CNN      C      N2     N1     .
 CNN      N1     C      HN11   .
 CNN      HN12   N1     .      .
 CNN      HN11   N1     .      END
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
 CNN      N1     C         single      1.290    0.020
 CNN      HN11   N1        single      1.010    0.020
 CNN      HN12   N1        single      1.010    0.020
 CNN      C      N2        triple      1.158    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
 CNN      N2     C      N1      180.000    3.000
 CNN      C      N1     HN12    120.000    3.000
 CNN      C      N1     HN11    120.000    3.000
 CNN      HN12   N1     HN11    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
 CNN      var_1    N2     C      N1     HN11      -0.068   20.000   1
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
 CNN      plan-1    N1        0.020
 CNN      plan-1    C         0.000
 CNN      plan-1    HN11      0.000
 CNN      plan-1    HN12      0.000
# ------------------------------------------------------
