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
MNC      MNC 'METHYL ISOCYANIDE                   ' non-polymer         6   3 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MNC
#
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
 MNC           C1     C    CH3       0.000      0.000    0.000    0.000
 MNC           H13    H    H         0.000      0.352    0.499   -0.865
 MNC           H11    H    H         0.000      0.352    0.499    0.865
 MNC           H12    H    H         0.000      0.352   -0.998    0.000
 MNC           N      N    NS        1.000     -1.430    0.000    0.000
 MNC           C      C    C        -1.000     -2.566    0.000    0.000
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
 MNC      C1     n/a    N      START
 MNC      H13    C1     .      .
 MNC      H11    C1     .      .
 MNC      H12    C1     .      .
 MNC      N      C1     C      .
 MNC      C      N      .      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
 MNC      C      N         triple      1.340    0.020
 MNC      N      C1        single      1.437    0.020
 MNC      H11    C1        single      1.059    0.020
 MNC      H12    C1        single      1.059    0.020
 MNC      H13    C1        single      1.059    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
 MNC      H13    C1     H11     109.470    3.000
 MNC      H13    C1     H12     109.470    3.000
 MNC      H11    C1     H12     109.470    3.000
 MNC      H13    C1     N       109.500    3.000
 MNC      H11    C1     N       109.500    3.000
 MNC      H12    C1     N       109.500    3.000
 MNC      C1     N      C       180.000    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
 MNC      var_1    H12    C1     N      C          0.000   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
 MNC      plan-1    N         0.020
 MNC      plan-1    C         0.000
 MNC      plan-1    C1        0.000
# ------------------------------------------------------
