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
GVE      GVE 'METHYL 4-AMINOBUTANOATE             ' non-polymer        19   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GVE
#
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
 GVE           OE2    O    O        -0.500      0.000    0.000    0.000
 GVE           CD     C    C         0.000     -1.246   -0.112   -0.023
 GVE           OE1    O    O2       -0.500     -1.770   -1.219   -0.281
 GVE           CH3    C    CH3       0.000     -0.910   -2.409   -0.561
 GVE           HH33   H    H         0.000     -0.298   -2.630    0.282
 GVE           HH32   H    H         0.000     -1.513   -3.260   -0.774
 GVE           HH31   H    H         0.000     -0.279   -2.221   -1.398
 GVE           CG     C    CH2       0.000     -2.115    1.087    0.257
 GVE           HG1    H    H         0.000     -2.745    0.883    1.126
 GVE           HG2    H    H         0.000     -2.747    1.288   -0.610
 GVE           CB     C    CH2       0.000     -1.231    2.303    0.540
 GVE           HB1    H    H         0.000     -0.601    2.504   -0.329
 GVE           HB2    H    H         0.000     -0.599    2.099    1.407
 GVE           CA     C    CH2       0.000     -2.114    3.520    0.825
 GVE           HA1    H    H         0.000     -2.744    3.317    1.694
 GVE           HA2    H    H         0.000     -2.746    3.722   -0.042
 GVE           N      N    NH2       0.000     -1.264    4.687    1.096
 GVE           HN2    H    H         0.000     -1.365    5.203    1.963
 GVE           HN1    H    H         0.000     -0.572    4.984    0.419
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
 GVE      OE2    n/a    CD     START
 GVE      CD     OE2    CG     .
 GVE      OE1    CD     CH3    .
 GVE      CH3    OE1    HH31   .
 GVE      HH33   CH3    .      .
 GVE      HH32   CH3    .      .
 GVE      HH31   CH3    .      .
 GVE      CG     CD     CB     .
 GVE      HG1    CG     .      .
 GVE      HG2    CG     .      .
 GVE      CB     CG     CA     .
 GVE      HB1    CB     .      .
 GVE      HB2    CB     .      .
 GVE      CA     CB     N      .
 GVE      HA1    CA     .      .
 GVE      HA2    CA     .      .
 GVE      N      CA     HN1    .
 GVE      HN2    N      .      .
 GVE      HN1    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
 GVE      N      CA        single      1.450    0.020
 GVE      HN1    N         single      1.010    0.020
 GVE      HN2    N         single      1.010    0.020
 GVE      CA     CB        single      1.524    0.020
 GVE      HA1    CA        single      1.092    0.020
 GVE      HA2    CA        single      1.092    0.020
 GVE      CB     CG        single      1.524    0.020
 GVE      HB1    CB        single      1.092    0.020
 GVE      HB2    CB        single      1.092    0.020
 GVE      CG     CD        single      1.510    0.020
 GVE      HG1    CG        single      1.092    0.020
 GVE      HG2    CG        single      1.092    0.020
 GVE      OE1    CD        deloc       1.454    0.020
 GVE      CD     OE2       deloc       1.220    0.020
 GVE      CH3    OE1       single      1.426    0.020
 GVE      HH31   CH3       single      1.059    0.020
 GVE      HH32   CH3       single      1.059    0.020
 GVE      HH33   CH3       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
 GVE      OE2    CD     OE1     119.000    3.000
 GVE      OE2    CD     CG      120.500    3.000
 GVE      OE1    CD     CG      120.000    3.000
 GVE      CD     OE1    CH3     120.000    3.000
 GVE      OE1    CH3    HH33    109.470    3.000
 GVE      OE1    CH3    HH32    109.470    3.000
 GVE      OE1    CH3    HH31    109.470    3.000
 GVE      HH33   CH3    HH32    109.470    3.000
 GVE      HH33   CH3    HH31    109.470    3.000
 GVE      HH32   CH3    HH31    109.470    3.000
 GVE      CD     CG     HG1     109.470    3.000
 GVE      CD     CG     HG2     109.470    3.000
 GVE      CD     CG     CB      109.470    3.000
 GVE      HG1    CG     HG2     107.900    3.000
 GVE      HG1    CG     CB      109.470    3.000
 GVE      HG2    CG     CB      109.470    3.000
 GVE      CG     CB     HB1     109.470    3.000
 GVE      CG     CB     HB2     109.470    3.000
 GVE      CG     CB     CA      111.000    3.000
 GVE      HB1    CB     HB2     107.900    3.000
 GVE      HB1    CB     CA      109.470    3.000
 GVE      HB2    CB     CA      109.470    3.000
 GVE      CB     CA     HA1     109.470    3.000
 GVE      CB     CA     HA2     109.470    3.000
 GVE      CB     CA     N       109.470    3.000
 GVE      HA1    CA     HA2     107.900    3.000
 GVE      HA1    CA     N       109.470    3.000
 GVE      HA2    CA     N       109.470    3.000
 GVE      CA     N      HN2     120.000    3.000
 GVE      CA     N      HN1     120.000    3.000
 GVE      HN2    N      HN1     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
 GVE      var_1    OE2    CD     OE1    CH3        0.030   20.000   1
 GVE      var_2    CD     OE1    CH3    HH31     -59.120   20.000   1
 GVE      var_3    OE2    CD     CG     CB        -0.066   20.000   3
 GVE      var_4    CD     CG     CB     CA      -179.994   20.000   3
 GVE      var_5    CG     CB     CA     N       -179.998   20.000   3
 GVE      var_6    CB     CA     N      HN1       56.130   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
 GVE      plan-1    N         0.020
 GVE      plan-1    CA        0.020
 GVE      plan-1    HN1       0.020
 GVE      plan-1    HN2       0.020
 GVE      plan-2    CD        0.020
 GVE      plan-2    CG        0.020
 GVE      plan-2    OE1       0.020
 GVE      plan-2    OE2       0.020
# ------------------------------------------------------
