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
DCL      DCL '2-AMINO-4-METHYL-PENTAN-1-OL        ' non-polymer        23   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DCL
#
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
 DCL           OXT    O    OH1       0.000      0.000    0.000    0.000
 DCL           HXT    H    H         0.000      0.570   -0.076   -0.777
 DCL           C      C    CH2       0.000     -1.368   -0.084   -0.404
 DCL           HC1    H    H         0.000     -1.543   -1.044   -0.894
 DCL           HC2    H    H         0.000     -1.590    0.726   -1.102
 DCL           CA     C    CH1       0.000     -2.272    0.036    0.823
 DCL           HA     H    H         0.000     -2.047   -0.780    1.524
 DCL           N      N    NH2       0.000     -2.034    1.326    1.483
 DCL           HN2    H    H         0.000     -1.289    1.935    1.163
 DCL           HN1    H    H         0.000     -2.613    1.617    2.262
 DCL           CB     C    CH2       0.000     -3.735   -0.053    0.390
 DCL           HB1    H    H         0.000     -3.911   -1.013   -0.101
 DCL           HB2    H    H         0.000     -3.958    0.757   -0.307
 DCL           CG     C    CH1       0.000     -4.639    0.065    1.619
 DCL           HG     H    H         0.000     -4.461    1.031    2.112
 DCL           CD2    C    CH3       0.000     -4.327   -1.070    2.594
 DCL           HD23   H    H         0.000     -3.313   -1.009    2.896
 DCL           HD22   H    H         0.000     -4.953   -0.988    3.445
 DCL           HD21   H    H         0.000     -4.497   -2.002    2.120
 DCL           CD1    C    CH3       0.000     -6.103   -0.024    1.186
 DCL           HD13   H    H         0.000     -6.322    0.762    0.510
 DCL           HD12   H    H         0.000     -6.276   -0.955    0.710
 DCL           HD11   H    H         0.000     -6.730    0.058    2.036
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
 DCL      OXT    n/a    C      START
 DCL      HXT    OXT    .      .
 DCL      C      OXT    CA     .
 DCL      HC1    C      .      .
 DCL      HC2    C      .      .
 DCL      CA     C      CB     .
 DCL      HA     CA     .      .
 DCL      N      CA     HN1    .
 DCL      HN2    N      .      .
 DCL      HN1    N      .      .
 DCL      CB     CA     CG     .
 DCL      HB1    CB     .      .
 DCL      HB2    CB     .      .
 DCL      CG     CB     CD1    .
 DCL      HG     CG     .      .
 DCL      CD2    CG     HD21   .
 DCL      HD23   CD2    .      .
 DCL      HD22   CD2    .      .
 DCL      HD21   CD2    .      .
 DCL      CD1    CG     HD11   .
 DCL      HD13   CD1    .      .
 DCL      HD12   CD1    .      .
 DCL      HD11   CD1    .      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
 DCL      N      CA        single      1.450    0.020
 DCL      HN1    N         single      1.010    0.020
 DCL      HN2    N         single      1.010    0.020
 DCL      CA     C         single      1.524    0.020
 DCL      CB     CA        single      1.524    0.020
 DCL      HA     CA        single      1.099    0.020
 DCL      C      OXT       single      1.432    0.020
 DCL      HC1    C         single      1.092    0.020
 DCL      HC2    C         single      1.092    0.020
 DCL      CG     CB        single      1.524    0.020
 DCL      HB1    CB        single      1.092    0.020
 DCL      HB2    CB        single      1.092    0.020
 DCL      CD1    CG        single      1.524    0.020
 DCL      CD2    CG        single      1.524    0.020
 DCL      HG     CG        single      1.099    0.020
 DCL      HD11   CD1       single      1.059    0.020
 DCL      HD12   CD1       single      1.059    0.020
 DCL      HD13   CD1       single      1.059    0.020
 DCL      HD21   CD2       single      1.059    0.020
 DCL      HD22   CD2       single      1.059    0.020
 DCL      HD23   CD2       single      1.059    0.020
 DCL      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
 DCL      HXT    OXT    C       109.470    3.000
 DCL      OXT    C      HC1     109.470    3.000
 DCL      OXT    C      HC2     109.470    3.000
 DCL      OXT    C      CA      109.470    3.000
 DCL      HC1    C      HC2     107.900    3.000
 DCL      HC1    C      CA      109.470    3.000
 DCL      HC2    C      CA      109.470    3.000
 DCL      C      CA     HA      108.340    3.000
 DCL      C      CA     N       109.470    3.000
 DCL      C      CA     CB      109.470    3.000
 DCL      HA     CA     N       109.470    3.000
 DCL      HA     CA     CB      108.340    3.000
 DCL      N      CA     CB      109.470    3.000
 DCL      CA     N      HN2     120.000    3.000
 DCL      CA     N      HN1     120.000    3.000
 DCL      HN2    N      HN1     120.000    3.000
 DCL      CA     CB     HB1     109.470    3.000
 DCL      CA     CB     HB2     109.470    3.000
 DCL      CA     CB     CG      111.000    3.000
 DCL      HB1    CB     HB2     107.900    3.000
 DCL      HB1    CB     CG      109.470    3.000
 DCL      HB2    CB     CG      109.470    3.000
 DCL      CB     CG     HG      108.340    3.000
 DCL      CB     CG     CD2     111.000    3.000
 DCL      CB     CG     CD1     111.000    3.000
 DCL      HG     CG     CD2     108.340    3.000
 DCL      HG     CG     CD1     108.340    3.000
 DCL      CD2    CG     CD1     111.000    3.000
 DCL      CG     CD2    HD23    109.470    3.000
 DCL      CG     CD2    HD22    109.470    3.000
 DCL      CG     CD2    HD21    109.470    3.000
 DCL      HD23   CD2    HD22    109.470    3.000
 DCL      HD23   CD2    HD21    109.470    3.000
 DCL      HD22   CD2    HD21    109.470    3.000
 DCL      CG     CD1    HD13    109.470    3.000
 DCL      CG     CD1    HD12    109.470    3.000
 DCL      CG     CD1    HD11    109.470    3.000
 DCL      HD13   CD1    HD12    109.470    3.000
 DCL      HD13   CD1    HD11    109.470    3.000
 DCL      HD12   CD1    HD11    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
 DCL      var_1    HXT    OXT    C      CA       179.995   20.000   1
 DCL      var_2    OXT    C      CA     CB       179.988   20.000   3
 DCL      var_3    C      CA     N      HN1      173.854   20.000   1
 DCL      var_4    C      CA     CB     CG       179.957   20.000   3
 DCL      var_5    CA     CB     CG     CD1     -179.996   20.000   3
 DCL      var_6    CB     CG     CD2    HD21     -59.970   20.000   3
 DCL      var_7    CB     CG     CD1    HD11    -179.993   20.000   3
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
 DCL      chir_01  CA     N      C      CB        positiv
 DCL      chir_02  CG     CB     CD1    CD2       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
 DCL      plan-1    N         0.020
 DCL      plan-1    CA        0.000
 DCL      plan-1    HN1       0.000
 DCL      plan-1    HN2       0.000
# ------------------------------------------------------
