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
NEH      NEH 'ETHANAMINE                          ' non-polymer        10   3 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NEH
#
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
 NEH           CB     C    CH3       0.000      0.000    0.000    0.000
 NEH           HB1    H    H         0.000      0.577    0.802   -0.376
 NEH           HB2    H    H         0.000     -0.879   -0.110   -0.577
 NEH           HB3    H    H         0.000     -0.256    0.186    1.009
 NEH           CA     C    CH2       0.000      0.798   -1.256   -0.079
 NEH           HA2    H    H         0.000      0.201   -2.074    0.330
 NEH           HA3    H    H         0.000      1.703   -1.132    0.520
 NEH           N      N    NH2       0.000      1.158   -1.557   -1.437
 NEH           HN1    H    H         0.000      1.379   -2.504   -1.698
 NEH           H      H    H         0.000      1.187   -0.818   -2.122
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
 NEH      CB     n/a    CA     START
 NEH      HB1    CB     .      .
 NEH      HB2    CB     .      .
 NEH      HB3    CB     .      .
 NEH      CA     CB     N      .
 NEH      HA2    CA     .      .
 NEH      HA3    CA     .      .
 NEH      N      CA     H      .
 NEH      HN1    N      .      .
 NEH      H      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
 NEH      N      CA        single      1.450    0.020
 NEH      H      N         single      1.010    0.020
 NEH      CA     CB        single      1.513    0.020
 NEH      HA2    CA        single      1.092    0.020
 NEH      HA3    CA        single      1.092    0.020
 NEH      HB1    CB        single      1.059    0.020
 NEH      HB2    CB        single      1.059    0.020
 NEH      HB3    CB        single      1.059    0.020
 NEH      HN1    N         single      1.010    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
 NEH      HB1    CB     HB2     109.470    3.000
 NEH      HB1    CB     HB3     109.470    3.000
 NEH      HB2    CB     HB3     109.470    3.000
 NEH      HB1    CB     CA      109.470    3.000
 NEH      HB2    CB     CA      109.470    3.000
 NEH      HB3    CB     CA      109.470    3.000
 NEH      CB     CA     HA2     109.470    3.000
 NEH      CB     CA     HA3     109.470    3.000
 NEH      CB     CA     N       109.500    3.000
 NEH      HA2    CA     HA3     107.900    3.000
 NEH      HA2    CA     N       109.470    3.000
 NEH      HA3    CA     N       109.470    3.000
 NEH      CA     N      HN1     120.000    3.000
 NEH      CA     N      H       120.000    3.000
 NEH      HN1    N      H       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
 NEH      var_1    HB3    CB     CA     N        179.410   20.000   3
 NEH      var_2    CB     CA     N      H         22.996   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
 NEH      plan-1    N         0.020
 NEH      plan-1    CA        0.000
 NEH      plan-1    H         0.000
 NEH      plan-1    HN1       0.000
# ------------------------------------------------------
