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
DCI      DCI '2-METHYL-BUTYLAMINE                 ' non-polymer        19   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DCI
#
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
 DCI           CD1    C    CH3       0.000      0.000    0.000    0.000
 DCI           HD1    H    H         0.000      0.950   -0.450   -0.139
 DCI           HD2    H    H         0.000      0.110    1.055    0.003
 DCI           HD3    H    H         0.000     -0.403   -0.313    0.930
 DCI           CG1    C    CH2       0.000     -0.939   -0.416   -1.134
 DCI           HG11   H    H         0.000     -1.047   -1.503   -1.135
 DCI           HG12   H    H         0.000     -0.521   -0.092   -2.089
 DCI           CB     C    CH1       0.000     -2.308    0.234   -0.928
 DCI           HB     H    H         0.000     -2.198    1.327   -0.927
 DCI           CG2    C    CH3       0.000     -2.892   -0.220    0.410
 DCI           HG23   H    H         0.000     -2.244    0.069    1.196
 DCI           HG22   H    H         0.000     -3.841    0.230    0.553
 DCI           HG21   H    H         0.000     -2.999   -1.274    0.411
 DCI           CA     C    CH2       0.000     -3.246   -0.184   -2.061
 DCI           HA1    H    H         0.000     -3.354   -1.271   -2.062
 DCI           HA2    H    H         0.000     -2.828    0.140   -3.016
 DCI           N      N    NH2       0.000     -4.560    0.439   -1.864
 DCI           HN2    H    H         0.000     -4.900    1.134   -2.519
 DCI           HN1    H    H         0.000     -5.136    0.179   -1.072
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
 DCI      CD1    n/a    CG1    START
 DCI      HD1    CD1    .      .
 DCI      HD2    CD1    .      .
 DCI      HD3    CD1    .      .
 DCI      CG1    CD1    CB     .
 DCI      HG11   CG1    .      .
 DCI      HG12   CG1    .      .
 DCI      CB     CG1    CA     .
 DCI      HB     CB     .      .
 DCI      CG2    CB     HG21   .
 DCI      HG23   CG2    .      .
 DCI      HG22   CG2    .      .
 DCI      HG21   CG2    .      .
 DCI      CA     CB     N      .
 DCI      HA1    CA     .      .
 DCI      HA2    CA     .      .
 DCI      N      CA     HN1    .
 DCI      HN2    N      .      .
 DCI      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
 DCI      N      CA        single      1.450    0.020
 DCI      HN1    N         single      1.010    0.020
 DCI      HN2    N         single      1.010    0.020
 DCI      CA     CB        single      1.524    0.020
 DCI      HA1    CA        single      1.092    0.020
 DCI      HA2    CA        single      1.092    0.020
 DCI      CB     CG1       single      1.524    0.020
 DCI      CG2    CB        single      1.524    0.020
 DCI      HB     CB        single      1.099    0.020
 DCI      CG1    CD1       single      1.513    0.020
 DCI      HG11   CG1       single      1.092    0.020
 DCI      HG12   CG1       single      1.092    0.020
 DCI      HG21   CG2       single      1.059    0.020
 DCI      HG22   CG2       single      1.059    0.020
 DCI      HG23   CG2       single      1.059    0.020
 DCI      HD1    CD1       single      1.059    0.020
 DCI      HD2    CD1       single      1.059    0.020
 DCI      HD3    CD1       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
 DCI      HD1    CD1    HD2     109.470    3.000
 DCI      HD1    CD1    HD3     109.470    3.000
 DCI      HD2    CD1    HD3     109.470    3.000
 DCI      HD1    CD1    CG1     109.470    3.000
 DCI      HD2    CD1    CG1     109.470    3.000
 DCI      HD3    CD1    CG1     109.470    3.000
 DCI      CD1    CG1    HG11    109.470    3.000
 DCI      CD1    CG1    HG12    109.470    3.000
 DCI      CD1    CG1    CB      111.000    3.000
 DCI      HG11   CG1    HG12    107.900    3.000
 DCI      HG11   CG1    CB      109.470    3.000
 DCI      HG12   CG1    CB      109.470    3.000
 DCI      CG1    CB     HB      108.340    3.000
 DCI      CG1    CB     CG2     111.000    3.000
 DCI      CG1    CB     CA      109.470    3.000
 DCI      HB     CB     CG2     108.340    3.000
 DCI      HB     CB     CA      108.340    3.000
 DCI      CG2    CB     CA      111.000    3.000
 DCI      CB     CG2    HG23    109.470    3.000
 DCI      CB     CG2    HG22    109.470    3.000
 DCI      CB     CG2    HG21    109.470    3.000
 DCI      HG23   CG2    HG22    109.470    3.000
 DCI      HG23   CG2    HG21    109.470    3.000
 DCI      HG22   CG2    HG21    109.470    3.000
 DCI      CB     CA     HA1     109.470    3.000
 DCI      CB     CA     HA2     109.470    3.000
 DCI      CB     CA     N       109.470    3.000
 DCI      HA1    CA     HA2     107.900    3.000
 DCI      HA1    CA     N       109.470    3.000
 DCI      HA2    CA     N       109.470    3.000
 DCI      CA     N      HN2     120.000    3.000
 DCI      CA     N      HN1     120.000    3.000
 DCI      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
 DCI      var_1    HD3    CD1    CG1    CB        59.910   20.000   3
 DCI      var_2    CD1    CG1    CB     CA      -179.968   20.000   3
 DCI      var_3    CG1    CB     CG2    HG21     -59.967   20.000   3
 DCI      var_4    CG1    CB     CA     N        179.995   20.000   3
 DCI      var_5    CB     CA     N      HN1      -66.160   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
 DCI      chir_01  CB     CA     CG1    CG2       positiv
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
 DCI      plan-1    N         0.020
 DCI      plan-1    CA        0.000
 DCI      plan-1    HN1       0.000
 DCI      plan-1    HN2       0.000
# ------------------------------------------------------
