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
TTL      TTL 'TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAH' non-polymer        25  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_TTL
#
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
 TTL           OAB    O    OH1       0.000      0.000    0.000    0.000
 TTL           HAB    H    H         0.000     -0.011   -0.937   -0.236
 TTL           CAL    C    CH1       0.000     -1.067    0.672   -0.672
 TTL           HAL    H    H         0.000     -0.943    0.554   -1.757
 TTL           CAK    C    CH1       0.000     -1.028    2.158   -0.319
 TTL           HAK    H    H         0.000     -0.991    2.278    0.772
 TTL           NAA    N    NH2       0.000      0.156    2.780   -0.925
 TTL           HAA2   H    H         0.000      0.802    2.224   -1.474
 TTL           HAA1   H    H         0.000      0.336    3.769   -0.799
 TTL           CAH    C    CH2       0.000     -2.298    2.819   -0.868
 TTL           HAH1   H    H         0.000     -2.436    2.547   -1.917
 TTL           HAH2   H    H         0.000     -2.220    3.905   -0.781
 TTL           CAG    C    CH2       0.000     -3.490    2.326   -0.052
 TTL           HAG1   H    H         0.000     -4.410    2.671   -0.527
 TTL           HAG2   H    H         0.000     -3.424    2.741    0.956
 TTL           CAI    C    CR6       0.000     -3.494    0.821    0.024
 TTL           CAJ    C    CR6       0.000     -2.380    0.062   -0.254
 TTL           CAE    C    CR16      0.000     -4.678    0.195    0.392
 TTL           HAE    H    H         0.000     -5.555    0.791    0.609
 TTL           CAC    C    CR16      0.000     -4.745   -1.180    0.483
 TTL           HAC    H    H         0.000     -5.672   -1.661    0.769
 TTL           CAD    C    CR16      0.000     -3.624   -1.941    0.209
 TTL           HAD    H    H         0.000     -3.670   -3.021    0.281
 TTL           CAF    C    CR16      0.000     -2.447   -1.322   -0.158
 TTL           HAF    H    H         0.000     -1.569   -1.919   -0.372
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
 TTL      OAB    n/a    CAL    START
 TTL      HAB    OAB    .      .
 TTL      CAL    OAB    CAK    .
 TTL      HAL    CAL    .      .
 TTL      CAK    CAL    CAH    .
 TTL      HAK    CAK    .      .
 TTL      NAA    CAK    HAA1   .
 TTL      HAA2   NAA    .      .
 TTL      HAA1   NAA    .      .
 TTL      CAH    CAK    CAG    .
 TTL      HAH1   CAH    .      .
 TTL      HAH2   CAH    .      .
 TTL      CAG    CAH    CAI    .
 TTL      HAG1   CAG    .      .
 TTL      HAG2   CAG    .      .
 TTL      CAI    CAG    CAE    .
 TTL      CAJ    CAI    .      .
 TTL      CAE    CAI    CAC    .
 TTL      HAE    CAE    .      .
 TTL      CAC    CAE    CAD    .
 TTL      HAC    CAC    .      .
 TTL      CAD    CAC    CAF    .
 TTL      HAD    CAD    .      .
 TTL      CAF    CAD    HAF    .
 TTL      HAF    CAF    .      END
 TTL      CAL    CAJ    .    ADD
 TTL      CAJ    CAF    .    ADD
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
 TTL      CAL    OAB       single      1.432    0.020
 TTL      HAB    OAB       single      0.967    0.020
 TTL      CAL    CAJ       single      1.480    0.020
 TTL      CAK    CAL       single      1.524    0.020
 TTL      HAL    CAL       single      1.099    0.020
 TTL      CAJ    CAF       double      1.390    0.020
 TTL      CAJ    CAI       single      1.487    0.020
 TTL      CAF    CAD       single      1.390    0.020
 TTL      HAF    CAF       single      1.083    0.020
 TTL      CAD    CAC       double      1.390    0.020
 TTL      HAD    CAD       single      1.083    0.020
 TTL      CAC    CAE       single      1.390    0.020
 TTL      HAC    CAC       single      1.083    0.020
 TTL      CAE    CAI       double      1.390    0.020
 TTL      HAE    CAE       single      1.083    0.020
 TTL      CAI    CAG       single      1.511    0.020
 TTL      CAG    CAH       single      1.524    0.020
 TTL      HAG1   CAG       single      1.092    0.020
 TTL      HAG2   CAG       single      1.092    0.020
 TTL      CAH    CAK       single      1.524    0.020
 TTL      HAH1   CAH       single      1.092    0.020
 TTL      HAH2   CAH       single      1.092    0.020
 TTL      NAA    CAK       single      1.450    0.020
 TTL      HAK    CAK       single      1.099    0.020
 TTL      HAA1   NAA       single      1.010    0.020
 TTL      HAA2   NAA       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
 TTL      HAB    OAB    CAL     109.470    3.000
 TTL      OAB    CAL    HAL     109.470    3.000
 TTL      OAB    CAL    CAK     109.470    3.000
 TTL      OAB    CAL    CAJ     109.470    3.000
 TTL      HAL    CAL    CAK     108.340    3.000
 TTL      HAL    CAL    CAJ     109.470    3.000
 TTL      CAK    CAL    CAJ     109.470    3.000
 TTL      CAL    CAK    HAK     108.340    3.000
 TTL      CAL    CAK    NAA     109.470    3.000
 TTL      CAL    CAK    CAH     111.000    3.000
 TTL      HAK    CAK    NAA     109.470    3.000
 TTL      HAK    CAK    CAH     108.340    3.000
 TTL      NAA    CAK    CAH     109.470    3.000
 TTL      CAK    NAA    HAA2    120.000    3.000
 TTL      CAK    NAA    HAA1    120.000    3.000
 TTL      HAA2   NAA    HAA1    120.000    3.000
 TTL      CAK    CAH    HAH1    109.470    3.000
 TTL      CAK    CAH    HAH2    109.470    3.000
 TTL      CAK    CAH    CAG     111.000    3.000
 TTL      HAH1   CAH    HAH2    107.900    3.000
 TTL      HAH1   CAH    CAG     109.470    3.000
 TTL      HAH2   CAH    CAG     109.470    3.000
 TTL      CAH    CAG    HAG1    109.470    3.000
 TTL      CAH    CAG    HAG2    109.470    3.000
 TTL      CAH    CAG    CAI     109.470    3.000
 TTL      HAG1   CAG    HAG2    107.900    3.000
 TTL      HAG1   CAG    CAI     109.470    3.000
 TTL      HAG2   CAG    CAI     109.470    3.000
 TTL      CAG    CAI    CAJ     120.000    3.000
 TTL      CAG    CAI    CAE     120.000    3.000
 TTL      CAJ    CAI    CAE     120.000    3.000
 TTL      CAI    CAJ    CAL     120.000    3.000
 TTL      CAI    CAJ    CAF     120.000    3.000
 TTL      CAL    CAJ    CAF     120.000    3.000
 TTL      CAI    CAE    HAE     120.000    3.000
 TTL      CAI    CAE    CAC     120.000    3.000
 TTL      HAE    CAE    CAC     120.000    3.000
 TTL      CAE    CAC    HAC     120.000    3.000
 TTL      CAE    CAC    CAD     120.000    3.000
 TTL      HAC    CAC    CAD     120.000    3.000
 TTL      CAC    CAD    HAD     120.000    3.000
 TTL      CAC    CAD    CAF     120.000    3.000
 TTL      HAD    CAD    CAF     120.000    3.000
 TTL      CAD    CAF    HAF     120.000    3.000
 TTL      CAD    CAF    CAJ     120.000    3.000
 TTL      HAF    CAF    CAJ     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
 TTL      var_1    HAB    OAB    CAL    CAK     -178.808   20.000   1
 TTL      var_2    OAB    CAL    CAJ    CAI      150.000   20.000   1
 TTL      var_3    OAB    CAL    CAK    CAH      180.000   20.000   3
 TTL      var_4    CAL    CAK    NAA    HAA1     179.515   20.000   1
 TTL      var_5    CAL    CAK    CAH    CAG       60.000   20.000   3
 TTL      var_6    CAK    CAH    CAG    CAI      -60.000   20.000   3
 TTL      var_7    CAH    CAG    CAI    CAE     -150.000   20.000   2
 TTL      CONST_1  CAG    CAI    CAJ    CAL        0.000    0.000   0
 TTL      CONST_2  CAI    CAJ    CAF    CAD        0.000    0.000   0
 TTL      CONST_3  CAG    CAI    CAE    CAC      180.000    0.000   0
 TTL      CONST_4  CAI    CAE    CAC    CAD        0.000    0.000   0
 TTL      CONST_5  CAE    CAC    CAD    CAF        0.000    0.000   0
 TTL      CONST_6  CAC    CAD    CAF    CAJ        0.000    0.000   0
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
 TTL      chir_01  CAL    OAB    CAJ    CAK       negativ
 TTL      chir_02  CAK    CAL    CAH    NAA       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
 TTL      plan-1    CAJ       0.020
 TTL      plan-1    CAL       0.020
 TTL      plan-1    CAF       0.020
 TTL      plan-1    CAI       0.020
 TTL      plan-1    CAD       0.020
 TTL      plan-1    CAC       0.020
 TTL      plan-1    CAE       0.020
 TTL      plan-1    HAF       0.020
 TTL      plan-1    HAD       0.020
 TTL      plan-1    HAC       0.020
 TTL      plan-1    HAE       0.020
 TTL      plan-1    CAG       0.020
 TTL      plan-2    NAA       0.020
 TTL      plan-2    CAK       0.020
 TTL      plan-2    HAA1      0.020
 TTL      plan-2    HAA2      0.020
# ------------------------------------------------------
