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
MNV      MNV 'N-METHYL-C-AMINO VALINE             ' non-polymer        23   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MNV
#
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
 MNV           O      O    O         0.000      0.000    0.000    0.000
 MNV           C      C    C         0.000     -0.897   -0.411   -0.705
 MNV           NT     N    NH2       0.000     -0.887   -1.689   -1.129
 MNV           HNT2   H    H         0.000     -1.634   -2.038   -1.718
 MNV           HNT1   H    H         0.000     -0.133   -2.310   -0.862
 MNV           CA     C    CH1       0.000     -2.022    0.506   -1.104
 MNV           HA     H    H         0.000     -1.650    1.539   -1.159
 MNV           CB     C    CH1       0.000     -3.143    0.423   -0.068
 MNV           HB     H    H         0.000     -3.515   -0.610   -0.014
 MNV           CG2    C    CH3       0.000     -4.285    1.355   -0.474
 MNV           HG23   H    H         0.000     -4.659    1.065   -1.421
 MNV           HG22   H    H         0.000     -5.061    1.298    0.244
 MNV           HG21   H    H         0.000     -3.927    2.351   -0.527
 MNV           CG1    C    CH3       0.000     -2.604    0.844    1.300
 MNV           HG13   H    H         0.000     -1.813    0.199    1.583
 MNV           HG12   H    H         0.000     -2.246    1.839    1.249
 MNV           HG11   H    H         0.000     -3.380    0.786    2.020
 MNV           N      N    NH1       0.000     -2.540    0.103   -2.419
 MNV           H      H    H         0.000     -3.284   -0.557   -2.597
 MNV           CN     C    CH3       0.000     -1.766    0.844   -3.424
 MNV           HN3    H    H         0.000     -1.892    1.886   -3.275
 MNV           HN2    H    H         0.000     -0.738    0.600   -3.334
 MNV           HN1    H    H         0.000     -2.103    0.586   -4.396
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
 MNV      O      n/a    C      START
 MNV      C      O      CA     .
 MNV      NT     C      HNT1   .
 MNV      HNT2   NT     .      .
 MNV      HNT1   NT     .      .
 MNV      CA     C      N      .
 MNV      HA     CA     .      .
 MNV      CB     CA     CG1    .
 MNV      HB     CB     .      .
 MNV      CG2    CB     HG21   .
 MNV      HG23   CG2    .      .
 MNV      HG22   CG2    .      .
 MNV      HG21   CG2    .      .
 MNV      CG1    CB     HG11   .
 MNV      HG13   CG1    .      .
 MNV      HG12   CG1    .      .
 MNV      HG11   CG1    .      .
 MNV      N      CA     CN     .
 MNV      H      N      .      .
 MNV      CN     N      HN1    .
 MNV      HN3    CN     .      .
 MNV      HN2    CN     .      .
 MNV      HN1    CN     .      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
 MNV      CN     N         single      1.450    0.020
 MNV      N      CA        single      1.450    0.020
 MNV      H      N         single      1.010    0.020
 MNV      HN1    CN        single      1.059    0.020
 MNV      HN2    CN        single      1.059    0.020
 MNV      HN3    CN        single      1.059    0.020
 MNV      CB     CA        single      1.524    0.020
 MNV      CA     C         single      1.500    0.020
 MNV      HA     CA        single      1.099    0.020
 MNV      CG1    CB        single      1.524    0.020
 MNV      CG2    CB        single      1.524    0.020
 MNV      HB     CB        single      1.099    0.020
 MNV      HG11   CG1       single      1.059    0.020
 MNV      HG12   CG1       single      1.059    0.020
 MNV      HG13   CG1       single      1.059    0.020
 MNV      HG21   CG2       single      1.059    0.020
 MNV      HG22   CG2       single      1.059    0.020
 MNV      HG23   CG2       single      1.059    0.020
 MNV      C      O         double      1.220    0.020
 MNV      NT     C         single      1.332    0.020
 MNV      HNT1   NT        single      1.010    0.020
 MNV      HNT2   NT        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
 MNV      O      C      NT      123.000    3.000
 MNV      O      C      CA      120.500    3.000
 MNV      NT     C      CA      120.000    3.000
 MNV      C      NT     HNT2    120.000    3.000
 MNV      C      NT     HNT1    120.000    3.000
 MNV      HNT2   NT     HNT1    120.000    3.000
 MNV      C      CA     HA      108.810    3.000
 MNV      C      CA     CB      109.470    3.000
 MNV      C      CA     N       111.600    3.000
 MNV      HA     CA     CB      108.340    3.000
 MNV      HA     CA     N       108.550    3.000
 MNV      CB     CA     N       110.000    3.000
 MNV      CA     CB     HB      108.340    3.000
 MNV      CA     CB     CG2     111.000    3.000
 MNV      CA     CB     CG1     111.000    3.000
 MNV      HB     CB     CG2     108.340    3.000
 MNV      HB     CB     CG1     108.340    3.000
 MNV      CG2    CB     CG1     111.000    3.000
 MNV      CB     CG2    HG23    109.470    3.000
 MNV      CB     CG2    HG22    109.470    3.000
 MNV      CB     CG2    HG21    109.470    3.000
 MNV      HG23   CG2    HG22    109.470    3.000
 MNV      HG23   CG2    HG21    109.470    3.000
 MNV      HG22   CG2    HG21    109.470    3.000
 MNV      CB     CG1    HG13    109.470    3.000
 MNV      CB     CG1    HG12    109.470    3.000
 MNV      CB     CG1    HG11    109.470    3.000
 MNV      HG13   CG1    HG12    109.470    3.000
 MNV      HG13   CG1    HG11    109.470    3.000
 MNV      HG12   CG1    HG11    109.470    3.000
 MNV      CA     N      H       118.500    3.000
 MNV      CA     N      CN      120.000    3.000
 MNV      H      N      CN      118.500    3.000
 MNV      N      CN     HN3     109.470    3.000
 MNV      N      CN     HN2     109.470    3.000
 MNV      N      CN     HN1     109.470    3.000
 MNV      HN3    CN     HN2     109.470    3.000
 MNV      HN3    CN     HN1     109.470    3.000
 MNV      HN2    CN     HN1     109.470    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
 MNV      CONST_1  O      C      NT     HNT1       0.000    0.000   0
 MNV      var_1    O      C      CA     N        150.014   20.000   3
 MNV      var_2    C      CA     CB     CG1       59.974   20.000   3
 MNV      var_3    CA     CB     CG2    HG21     -59.957   20.000   3
 MNV      var_4    CA     CB     CG1    HG11    -179.958   20.000   3
 MNV      var_5    C      CA     N      CN       -89.938   20.000   3
 MNV      var_6    CA     N      CN     HN1      179.975   20.000   1
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 MNV      chir_01  CA     N      CB     C         negativ
 MNV      chir_02  CB     CA     CG1    CG2       negativ
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
 MNV      plan-1    N         0.020
 MNV      plan-1    CN        0.020
 MNV      plan-1    CA        0.020
 MNV      plan-1    H         0.020
 MNV      plan-2    C         0.020
 MNV      plan-2    CA        0.020
 MNV      plan-2    O         0.020
 MNV      plan-2    NT        0.020
 MNV      plan-2    HNT2      0.020
 MNV      plan-2    HNT1      0.020
 MNV      plan-3    NT        0.020
 MNV      plan-3    C         0.020
 MNV      plan-3    HNT1      0.020
 MNV      plan-3    HNT2      0.020
# ------------------------------------------------------
