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
LEN      LEN '3-METHYLBUTAN-1-AMINE               ' non-polymer        19   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_LEN
#
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
 LEN           N      N    NH2       0.000      0.000    0.000    0.000
 LEN           HN1    H    H         0.000      0.089   -0.814   -0.597
 LEN           HN2    H    H         0.000      0.834    0.502    0.283
 LEN           CA     C    CH2       0.000     -1.325    0.449    0.451
 LEN           HA1    H    H         0.000     -1.501    1.468    0.102
 LEN           HA2    H    H         0.000     -1.363    0.427    1.542
 LEN           CB     C    CH2       0.000     -2.399   -0.479   -0.117
 LEN           HB1    H    H         0.000     -2.220   -1.498    0.232
 LEN           HB2    H    H         0.000     -2.359   -0.457   -1.208
 LEN           CG     C    CH1       0.000     -3.778   -0.012    0.354
 LEN           HG     H    H         0.000     -3.789    0.051    1.451
 LEN           CD1    C    CH3       0.000     -4.841   -1.009   -0.111
 LEN           HD13   H    H         0.000     -4.635   -1.964    0.299
 LEN           HD12   H    H         0.000     -5.796   -0.686    0.214
 LEN           HD11   H    H         0.000     -4.832   -1.071   -1.168
 LEN           CD2    C    CH3       0.000     -4.078    1.366   -0.239
 LEN           HD23   H    H         0.000     -4.067    1.307   -1.297
 LEN           HD22   H    H         0.000     -5.033    1.692    0.085
 LEN           HD21   H    H         0.000     -3.343    2.058    0.081
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
 LEN      N      n/a    CA     START
 LEN      HN1    N      .      .
 LEN      HN2    N      .      .
 LEN      CA     N      CB     .
 LEN      HA1    CA     .      .
 LEN      HA2    CA     .      .
 LEN      CB     CA     CG     .
 LEN      HB1    CB     .      .
 LEN      HB2    CB     .      .
 LEN      CG     CB     CD2    .
 LEN      HG     CG     .      .
 LEN      CD1    CG     HD11   .
 LEN      HD13   CD1    .      .
 LEN      HD12   CD1    .      .
 LEN      HD11   CD1    .      .
 LEN      CD2    CG     HD21   .
 LEN      HD23   CD2    .      .
 LEN      HD22   CD2    .      .
 LEN      HD21   CD2    .      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
 LEN      CD2    CG        single      1.524    0.020
 LEN      HD21   CD2       single      1.059    0.020
 LEN      HD22   CD2       single      1.059    0.020
 LEN      HD23   CD2       single      1.059    0.020
 LEN      CD1    CG        single      1.524    0.020
 LEN      CG     CB        single      1.524    0.020
 LEN      HG     CG        single      1.099    0.020
 LEN      HD11   CD1       single      1.059    0.020
 LEN      HD12   CD1       single      1.059    0.020
 LEN      HD13   CD1       single      1.059    0.020
 LEN      CB     CA        single      1.524    0.020
 LEN      HB1    CB        single      1.092    0.020
 LEN      HB2    CB        single      1.092    0.020
 LEN      CA     N         single      1.450    0.020
 LEN      HA1    CA        single      1.092    0.020
 LEN      HA2    CA        single      1.092    0.020
 LEN      HN1    N         single      1.010    0.020
 LEN      HN2    N         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
 LEN      HN1    N      HN2     120.000    3.000
 LEN      HN1    N      CA      120.000    3.000
 LEN      HN2    N      CA      120.000    3.000
 LEN      N      CA     HA1     109.470    3.000
 LEN      N      CA     HA2     109.470    3.000
 LEN      N      CA     CB      109.470    3.000
 LEN      HA1    CA     HA2     107.900    3.000
 LEN      HA1    CA     CB      109.470    3.000
 LEN      HA2    CA     CB      109.470    3.000
 LEN      CA     CB     HB1     109.470    3.000
 LEN      CA     CB     HB2     109.470    3.000
 LEN      CA     CB     CG      111.000    3.000
 LEN      HB1    CB     HB2     107.900    3.000
 LEN      HB1    CB     CG      109.470    3.000
 LEN      HB2    CB     CG      109.470    3.000
 LEN      CB     CG     HG      108.340    3.000
 LEN      CB     CG     CD1     111.000    3.000
 LEN      CB     CG     CD2     111.000    3.000
 LEN      HG     CG     CD1     108.340    3.000
 LEN      HG     CG     CD2     108.340    3.000
 LEN      CD1    CG     CD2     111.000    3.000
 LEN      CG     CD1    HD13    109.470    3.000
 LEN      CG     CD1    HD12    109.470    3.000
 LEN      CG     CD1    HD11    109.470    3.000
 LEN      HD13   CD1    HD12    109.470    3.000
 LEN      HD13   CD1    HD11    109.470    3.000
 LEN      HD12   CD1    HD11    109.470    3.000
 LEN      CG     CD2    HD23    109.470    3.000
 LEN      CG     CD2    HD22    109.470    3.000
 LEN      CG     CD2    HD21    109.470    3.000
 LEN      HD23   CD2    HD22    109.470    3.000
 LEN      HD23   CD2    HD21    109.470    3.000
 LEN      HD22   CD2    HD21    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
 LEN      var_1    HN2    N      CA     CB       179.984   20.000   1
 LEN      var_2    N      CA     CB     CG       179.962   20.000   3
 LEN      var_3    CA     CB     CG     CD2       65.014   20.000   3
 LEN      var_4    CB     CG     CD1    HD11     -59.955   20.000   3
 LEN      var_5    CB     CG     CD2    HD21     -60.022   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
 LEN      chir_01  CG     CD2    CD1    CB        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
 LEN      plan-1    N         0.020
 LEN      plan-1    CA        0.000
 LEN      plan-1    HN1       0.000
 LEN      plan-1    HN2       0.000
# ------------------------------------------------------
