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
BET      BET 'TRIMETHYL GLYCINE                   ' non-polymer        19   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_BET
#
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
 BET           O2     O    OC       -0.500      0.000    0.000    0.000
 BET           C      C    C         0.000     -1.206    0.331   -0.032
 BET           O1     O    OC       -0.500     -1.523    1.541    0.003
 BET           CA     C    CH2       0.000     -2.276   -0.726   -0.114
 BET           HA1    H    H         0.000     -2.141   -1.443    0.699
 BET           HA2    H    H         0.000     -2.201   -1.245   -1.072
 BET           N      N    NT        1.000     -3.598   -0.095    0.001
 BET           C3     C    CH3       0.000     -4.639   -1.132   -0.017
 BET           H33    H    H         0.000     -4.491   -1.794    0.797
 BET           H32    H    H         0.000     -5.591   -0.677    0.066
 BET           H31    H    H         0.000     -4.583   -1.672   -0.926
 BET           C2     C    CH3       0.000     -3.675    0.654    1.262
 BET           H23    H    H         0.000     -3.392    0.024    2.065
 BET           H22    H    H         0.000     -3.021    1.486    1.219
 BET           H21    H    H         0.000     -4.667    0.992    1.412
 BET           C1     C    CH3       0.000     -3.803    0.823   -1.127
 BET           H13    H    H         0.000     -3.614    0.313   -2.036
 BET           H12    H    H         0.000     -4.802    1.174   -1.120
 BET           H11    H    H         0.000     -3.140    1.644   -1.038
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
 BET      O2     n/a    C      START
 BET      C      O2     CA     .
 BET      O1     C      .      .
 BET      CA     C      N      .
 BET      HA1    CA     .      .
 BET      HA2    CA     .      .
 BET      N      CA     C1     .
 BET      C3     N      H31    .
 BET      H33    C3     .      .
 BET      H32    C3     .      .
 BET      H31    C3     .      .
 BET      C2     N      H21    .
 BET      H23    C2     .      .
 BET      H22    C2     .      .
 BET      H21    C2     .      .
 BET      C1     N      H11    .
 BET      H13    C1     .      .
 BET      H12    C1     .      .
 BET      H11    C1     .      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
 BET      N      CA        single      1.469    0.020
 BET      C1     N         single      1.469    0.020
 BET      C2     N         single      1.469    0.020
 BET      C3     N         single      1.469    0.020
 BET      CA     C         single      1.510    0.020
 BET      HA1    CA        single      1.092    0.020
 BET      HA2    CA        single      1.092    0.020
 BET      O1     C         deloc       1.250    0.020
 BET      C      O2        deloc       1.250    0.020
 BET      H11    C1        single      1.059    0.020
 BET      H12    C1        single      1.059    0.020
 BET      H13    C1        single      1.059    0.020
 BET      H21    C2        single      1.059    0.020
 BET      H22    C2        single      1.059    0.020
 BET      H23    C2        single      1.059    0.020
 BET      H31    C3        single      1.059    0.020
 BET      H32    C3        single      1.059    0.020
 BET      H33    C3        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
 BET      O2     C      O1      123.000    3.000
 BET      O2     C      CA      118.500    3.000
 BET      O1     C      CA      118.500    3.000
 BET      C      CA     HA1     109.470    3.000
 BET      C      CA     HA2     109.470    3.000
 BET      C      CA     N       109.500    3.000
 BET      HA1    CA     HA2     107.900    3.000
 BET      HA1    CA     N       109.470    3.000
 BET      HA2    CA     N       109.470    3.000
 BET      CA     N      C3      109.470    3.000
 BET      CA     N      C2      109.470    3.000
 BET      CA     N      C1      109.470    3.000
 BET      C3     N      C2      109.470    3.000
 BET      C3     N      C1      109.470    3.000
 BET      C2     N      C1      109.470    3.000
 BET      N      C3     H33     109.470    3.000
 BET      N      C3     H32     109.470    3.000
 BET      N      C3     H31     109.470    3.000
 BET      H33    C3     H32     109.470    3.000
 BET      H33    C3     H31     109.470    3.000
 BET      H32    C3     H31     109.470    3.000
 BET      N      C2     H23     109.470    3.000
 BET      N      C2     H22     109.470    3.000
 BET      N      C2     H21     109.470    3.000
 BET      H23    C2     H22     109.470    3.000
 BET      H23    C2     H21     109.470    3.000
 BET      H22    C2     H21     109.470    3.000
 BET      N      C1     H13     109.470    3.000
 BET      N      C1     H12     109.470    3.000
 BET      N      C1     H11     109.470    3.000
 BET      H13    C1     H12     109.470    3.000
 BET      H13    C1     H11     109.470    3.000
 BET      H12    C1     H11     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
 BET      var_1    O2     C      CA     N        174.195   20.000   3
 BET      var_2    C      CA     N      C1        62.574   20.000   1
 BET      var_3    CA     N      C3     H31      -59.986   20.000   1
 BET      var_4    CA     N      C2     H21     -171.961   20.000   1
 BET      var_5    CA     N      C1     H11      -67.856   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
 BET      chir_01  N      CA     C1     C2        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
 BET      plan-1    C         0.020
 BET      plan-1    CA        0.000
 BET      plan-1    O1        0.000
 BET      plan-1    O2        0.000
# ------------------------------------------------------
