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
EMM      EMM '[METHYL(VINYL)AMINO]METHANOL        ' non-polymer        14   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_EMM
#
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
 EMM           O      O    O         0.000      0.000    0.000    0.000
 EMM           C      C    C         0.000     -0.608    0.000   -1.052
 EMM           OXT    O    OH1       0.000      0.066    0.000   -2.219
 EMM           HXT    H    H         0.000      1.019    0.000   -2.045
 EMM           N      N    N         0.000     -1.954    0.000   -1.051
 EMM           C2     C    CH3       0.000     -2.687    0.000   -2.320
 EMM           H2C3   H    H         0.000     -3.297   -0.865   -2.378
 EMM           H2C2   H    H         0.000     -3.297    0.865   -2.378
 EMM           H2C1   H    H         0.000     -2.000    0.000   -3.127
 EMM           C1     C    C1        0.000     -2.650    0.000    0.153
 EMM           H1     H    H         0.000     -2.112    0.000    1.086
 EMM           C3     C    C2        0.000     -3.970    0.000    0.153
 EMM           H3C2   H    H         0.000     -4.508    0.000   -0.779
 EMM           H3C1   H    H         0.000     -4.508    0.000    1.086
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
 EMM      O      n/a    C      START
 EMM      C      O      N      .
 EMM      OXT    C      HXT    .
 EMM      HXT    OXT    .      .
 EMM      N      C      C1     .
 EMM      C2     N      H2C1   .
 EMM      H2C3   C2     .      .
 EMM      H2C2   C2     .      .
 EMM      H2C1   C2     .      .
 EMM      C1     N      C3     .
 EMM      H1     C1     .      .
 EMM      C3     C1     H3C1   .
 EMM      H3C2   C3     .      .
 EMM      H3C1   C3     .      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
 EMM      C1     N         single      1.260    0.020
 EMM      C3     C1        double      1.320    0.020
 EMM      H1     C1        single      1.077    0.020
 EMM      C2     N         single      1.455    0.020
 EMM      H2C1   C2        single      1.059    0.020
 EMM      H2C2   C2        single      1.059    0.020
 EMM      H2C3   C2        single      1.059    0.020
 EMM      C      O         double      1.220    0.020
 EMM      N      C         single      1.330    0.020
 EMM      OXT    C         single      1.330    0.020
 EMM      H3C1   C3        single      1.077    0.020
 EMM      H3C2   C3        single      1.077    0.020
 EMM      HXT    OXT       single      0.967    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
 EMM      O      C      OXT     119.000    3.000
 EMM      O      C      N       123.000    3.000
 EMM      OXT    C      N       120.000    3.000
 EMM      C      OXT    HXT     109.470    3.000
 EMM      C      N      C2      127.000    3.000
 EMM      C      N      C1      120.000    3.000
 EMM      C2     N      C1      120.000    3.000
 EMM      N      C2     H2C3    109.470    3.000
 EMM      N      C2     H2C2    109.470    3.000
 EMM      N      C2     H2C1    109.470    3.000
 EMM      H2C3   C2     H2C2    109.470    3.000
 EMM      H2C3   C2     H2C1    109.470    3.000
 EMM      H2C2   C2     H2C1    109.470    3.000
 EMM      N      C1     H1      120.000    3.000
 EMM      N      C1     C3      120.000    3.000
 EMM      H1     C1     C3      120.000    3.000
 EMM      C1     C3     H3C2    120.000    3.000
 EMM      C1     C3     H3C1    120.000    3.000
 EMM      H3C2   C3     H3C1    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
 EMM      var_1    O      C      OXT    HXT        0.000   20.000   1
 EMM      CONST_1  O      C      N      C1         0.000    0.000   0
 EMM      var_2    C      N      C2     H2C1       0.000   20.000   1
 EMM      var_3    C      N      C1     C3       180.000   20.000   1
 EMM      CONST_2  N      C1     C3     H3C1     180.000    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
 EMM      plan-1    C1        0.020
 EMM      plan-1    N         0.020
 EMM      plan-1    C3        0.020
 EMM      plan-1    H1        0.020
 EMM      plan-1    H3C1      0.020
 EMM      plan-1    H3C2      0.020
 EMM      plan-2    C         0.020
 EMM      plan-2    O         0.020
 EMM      plan-2    N         0.020
 EMM      plan-2    OXT       0.020
 EMM      plan-3    N         0.020
 EMM      plan-3    C1        0.020
 EMM      plan-3    C2        0.020
 EMM      plan-3    C         0.020
 EMM      plan-3    H1        0.020
# ------------------------------------------------------
