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
NTB      NTB 'TERTIARY-BUTYLAMINE                 ' non-polymer        16   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NTB
#
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
 NTB           C3     C    CH3       0.000      0.000    0.000    0.000
 NTB           H31    H    H         0.000     -0.051   -0.819   -0.670
 NTB           H32    H    H         0.000      0.912    0.519   -0.147
 NTB           H33    H    H         0.000     -0.044   -0.358    0.996
 NTB           C      C    CT        0.000     -1.175    0.946   -0.257
 NTB           C2     C    CH3       0.000     -1.101    2.128    0.713
 NTB           H23    H    H         0.000     -0.191    2.649    0.568
 NTB           H22    H    H         0.000     -1.914    2.783    0.536
 NTB           H21    H    H         0.000     -1.147    1.771    1.710
 NTB           C1     C    CH3       0.000     -2.491    0.194   -0.046
 NTB           H13    H    H         0.000     -2.543   -0.624   -0.716
 NTB           H12    H    H         0.000     -2.538   -0.164    0.951
 NTB           H11    H    H         0.000     -3.305    0.848   -0.224
 NTB           N      N    NH2       0.000     -1.111    1.442   -1.638
 NTB           HN2    H    H         0.000     -0.420    1.073   -2.278
 NTB           HN1    H    H         0.000     -1.758    2.152   -1.952
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
 NTB      C3     n/a    C      START
 NTB      H31    C3     .      .
 NTB      H32    C3     .      .
 NTB      H33    C3     .      .
 NTB      C      C3     N      .
 NTB      C2     C      H21    .
 NTB      H23    C2     .      .
 NTB      H22    C2     .      .
 NTB      H21    C2     .      .
 NTB      C1     C      H11    .
 NTB      H13    C1     .      .
 NTB      H12    C1     .      .
 NTB      H11    C1     .      .
 NTB      N      C      HN1    .
 NTB      HN2    N      .      .
 NTB      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
 NTB      N      C         single      1.462    0.020
 NTB      HN1    N         single      1.010    0.020
 NTB      HN2    N         single      1.010    0.020
 NTB      C1     C         single      1.524    0.020
 NTB      C2     C         single      1.524    0.020
 NTB      C      C3        single      1.524    0.020
 NTB      H11    C1        single      1.059    0.020
 NTB      H12    C1        single      1.059    0.020
 NTB      H13    C1        single      1.059    0.020
 NTB      H21    C2        single      1.059    0.020
 NTB      H22    C2        single      1.059    0.020
 NTB      H23    C2        single      1.059    0.020
 NTB      H31    C3        single      1.059    0.020
 NTB      H32    C3        single      1.059    0.020
 NTB      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
 NTB      H31    C3     H32     109.470    3.000
 NTB      H31    C3     H33     109.470    3.000
 NTB      H32    C3     H33     109.470    3.000
 NTB      H31    C3     C       109.470    3.000
 NTB      H32    C3     C       109.470    3.000
 NTB      H33    C3     C       109.470    3.000
 NTB      C3     C      C2      111.000    3.000
 NTB      C3     C      C1      111.000    3.000
 NTB      C3     C      N       109.500    3.000
 NTB      C2     C      C1      111.000    3.000
 NTB      C2     C      N       109.500    3.000
 NTB      C1     C      N       109.500    3.000
 NTB      C      C2     H23     109.470    3.000
 NTB      C      C2     H22     109.470    3.000
 NTB      C      C2     H21     109.470    3.000
 NTB      H23    C2     H22     109.470    3.000
 NTB      H23    C2     H21     109.470    3.000
 NTB      H22    C2     H21     109.470    3.000
 NTB      C      C1     H13     109.470    3.000
 NTB      C      C1     H12     109.470    3.000
 NTB      C      C1     H11     109.470    3.000
 NTB      H13    C1     H12     109.470    3.000
 NTB      H13    C1     H11     109.470    3.000
 NTB      H12    C1     H11     109.470    3.000
 NTB      C      N      HN2     120.000    3.000
 NTB      C      N      HN1     120.000    3.000
 NTB      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
 NTB      var_1    H33    C3     C      N        179.953   20.000   1
 NTB      var_2    C3     C      C2     H21      -60.011   20.000   1
 NTB      var_3    C3     C      C1     H11     -179.978   20.000   1
 NTB      var_4    C3     C      N      HN1     -173.789   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
 NTB      chir_01  C      N      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
 NTB      plan-1    N         0.020
 NTB      plan-1    C         0.000
 NTB      plan-1    HN1       0.000
 NTB      plan-1    HN2       0.000
# ------------------------------------------------------
