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
MIG      MIG '(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(' non-polymer        31  14 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MIG
#
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
 MIG           OAE    O    OH1       0.000      0.000    0.000    0.000
 MIG           HOAE   H    H         0.000      0.345   -0.339    0.837
 MIG           CAL    C    CH1       0.000     -1.347   -0.444   -0.174
 MIG           HAL    H    H         0.000     -1.373   -1.542   -0.188
 MIG           CAK    C    CH1       0.000     -2.209    0.075    0.980
 MIG           HAK    H    H         0.000     -2.151    1.171    1.019
 MIG           OAD    O    OH1       0.000     -1.736   -0.472    2.212
 MIG           HOAD   H    H         0.000     -2.284   -0.148    2.939
 MIG           CAJ    C    CH1       0.000     -3.662   -0.353    0.754
 MIG           HAJ    H    H         0.000     -3.726   -1.450    0.756
 MIG           OAC    O    OH1       0.000     -4.483    0.174    1.798
 MIG           HOAC   H    H         0.000     -5.400   -0.095    1.653
 MIG           CAM    C    CH1       0.000     -1.895    0.097   -1.497
 MIG           HAM    H    H         0.000     -1.856    1.196   -1.489
 MIG           CAG    C    CH2       0.000     -1.049   -0.435   -2.655
 MIG           HAG    H    H         0.000     -1.211   -1.510   -2.760
 MIG           HAGA   H    H         0.000      0.007   -0.245   -2.450
 MIG           OAB    O    OH1       0.000     -1.428    0.226   -3.864
 MIG           HOAB   H    H         0.000     -0.893   -0.111   -4.595
 MIG           NAN    N    NT        0.000     -3.287   -0.341   -1.667
 MIG           CAI    C    CH2       0.000     -4.143    0.184   -0.596
 MIG           HAIA   H    H         0.000     -5.174   -0.132   -0.768
 MIG           HAI    H    H         0.000     -4.093    1.275   -0.594
 MIG           CAH    C    CH2       0.000     -3.802    0.042   -2.988
 MIG           HAH    H    H         0.000     -4.794   -0.391   -3.131
 MIG           HAHA   H    H         0.000     -3.129   -0.330   -3.763
 MIG           CAF    C    CH2       0.000     -3.892    1.567   -3.077
 MIG           HAF    H    H         0.000     -4.468    1.948   -2.231
 MIG           HAFA   H    H         0.000     -4.388    1.849   -4.009
 MIG           OAA    O    OH1       0.000     -2.576    2.124   -3.049
 MIG           HOAA   H    H         0.000     -2.634    3.088   -3.105
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
 MIG      OAE    n/a    CAL    START
 MIG      HOAE   OAE    .      .
 MIG      CAL    OAE    CAM    .
 MIG      HAL    CAL    .      .
 MIG      CAK    CAL    CAJ    .
 MIG      HAK    CAK    .      .
 MIG      OAD    CAK    HOAD   .
 MIG      HOAD   OAD    .      .
 MIG      CAJ    CAK    OAC    .
 MIG      HAJ    CAJ    .      .
 MIG      OAC    CAJ    HOAC   .
 MIG      HOAC   OAC    .      .
 MIG      CAM    CAL    NAN    .
 MIG      HAM    CAM    .      .
 MIG      CAG    CAM    OAB    .
 MIG      HAG    CAG    .      .
 MIG      HAGA   CAG    .      .
 MIG      OAB    CAG    HOAB   .
 MIG      HOAB   OAB    .      .
 MIG      NAN    CAM    CAH    .
 MIG      CAI    NAN    HAI    .
 MIG      HAIA   CAI    .      .
 MIG      HAI    CAI    .      .
 MIG      CAH    NAN    CAF    .
 MIG      HAH    CAH    .      .
 MIG      HAHA   CAH    .      .
 MIG      CAF    CAH    OAA    .
 MIG      HAF    CAF    .      .
 MIG      HAFA   CAF    .      .
 MIG      OAA    CAF    HOAA   .
 MIG      HOAA   OAA    .      END
 MIG      CAI    CAJ    .    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
 MIG      OAA    CAF       single      1.432    0.020
 MIG      OAB    CAG       single      1.432    0.020
 MIG      OAC    CAJ       single      1.432    0.020
 MIG      OAD    CAK       single      1.432    0.020
 MIG      CAL    OAE       single      1.432    0.020
 MIG      CAF    CAH       single      1.524    0.020
 MIG      CAG    CAM       single      1.524    0.020
 MIG      CAH    NAN       single      1.469    0.020
 MIG      CAI    CAJ       single      1.524    0.020
 MIG      CAI    NAN       single      1.469    0.020
 MIG      CAJ    CAK       single      1.524    0.020
 MIG      CAK    CAL       single      1.524    0.020
 MIG      CAM    CAL       single      1.524    0.020
 MIG      NAN    CAM       single      1.469    0.020
 MIG      HOAA   OAA       single      0.967    0.020
 MIG      HOAB   OAB       single      0.967    0.020
 MIG      HOAC   OAC       single      0.967    0.020
 MIG      HOAD   OAD       single      0.967    0.020
 MIG      HOAE   OAE       single      0.967    0.020
 MIG      HAF    CAF       single      1.092    0.020
 MIG      HAFA   CAF       single      1.092    0.020
 MIG      HAG    CAG       single      1.092    0.020
 MIG      HAGA   CAG       single      1.092    0.020
 MIG      HAH    CAH       single      1.092    0.020
 MIG      HAHA   CAH       single      1.092    0.020
 MIG      HAI    CAI       single      1.092    0.020
 MIG      HAIA   CAI       single      1.092    0.020
 MIG      HAJ    CAJ       single      1.099    0.020
 MIG      HAK    CAK       single      1.099    0.020
 MIG      HAL    CAL       single      1.099    0.020
 MIG      HAM    CAM       single      1.099    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
 MIG      HOAE   OAE    CAL     109.470    3.000
 MIG      OAE    CAL    HAL     109.470    3.000
 MIG      OAE    CAL    CAK     109.470    3.000
 MIG      OAE    CAL    CAM     109.470    3.000
 MIG      HAL    CAL    CAK     108.340    3.000
 MIG      HAL    CAL    CAM     108.340    3.000
 MIG      CAK    CAL    CAM     111.000    3.000
 MIG      CAL    CAK    HAK     108.340    3.000
 MIG      CAL    CAK    OAD     109.470    3.000
 MIG      CAL    CAK    CAJ     111.000    3.000
 MIG      HAK    CAK    OAD     109.470    3.000
 MIG      HAK    CAK    CAJ     108.340    3.000
 MIG      OAD    CAK    CAJ     109.470    3.000
 MIG      CAK    OAD    HOAD    109.470    3.000
 MIG      CAK    CAJ    HAJ     108.340    3.000
 MIG      CAK    CAJ    OAC     109.470    3.000
 MIG      CAK    CAJ    CAI     111.000    3.000
 MIG      HAJ    CAJ    OAC     109.470    3.000
 MIG      HAJ    CAJ    CAI     108.340    3.000
 MIG      OAC    CAJ    CAI     109.470    3.000
 MIG      CAJ    OAC    HOAC    109.470    3.000
 MIG      CAL    CAM    HAM     108.340    3.000
 MIG      CAL    CAM    CAG     111.000    3.000
 MIG      CAL    CAM    NAN     109.500    3.000
 MIG      HAM    CAM    CAG     108.340    3.000
 MIG      HAM    CAM    NAN     109.500    3.000
 MIG      CAG    CAM    NAN     109.500    3.000
 MIG      CAM    CAG    HAG     109.470    3.000
 MIG      CAM    CAG    HAGA    109.470    3.000
 MIG      CAM    CAG    OAB     109.470    3.000
 MIG      HAG    CAG    HAGA    107.900    3.000
 MIG      HAG    CAG    OAB     109.470    3.000
 MIG      HAGA   CAG    OAB     109.470    3.000
 MIG      CAG    OAB    HOAB    109.470    3.000
 MIG      CAM    NAN    CAI     109.470    3.000
 MIG      CAM    NAN    CAH     109.470    3.000
 MIG      CAI    NAN    CAH     109.470    3.000
 MIG      NAN    CAI    HAIA    109.470    3.000
 MIG      NAN    CAI    HAI     109.470    3.000
 MIG      NAN    CAI    CAJ     109.500    3.000
 MIG      HAIA   CAI    HAI     107.900    3.000
 MIG      HAIA   CAI    CAJ     109.470    3.000
 MIG      HAI    CAI    CAJ     109.470    3.000
 MIG      NAN    CAH    HAH     109.470    3.000
 MIG      NAN    CAH    HAHA    109.470    3.000
 MIG      NAN    CAH    CAF     109.470    3.000
 MIG      HAH    CAH    HAHA    107.900    3.000
 MIG      HAH    CAH    CAF     109.470    3.000
 MIG      HAHA   CAH    CAF     109.470    3.000
 MIG      CAH    CAF    HAF     109.470    3.000
 MIG      CAH    CAF    HAFA    109.470    3.000
 MIG      CAH    CAF    OAA     109.470    3.000
 MIG      HAF    CAF    HAFA    107.900    3.000
 MIG      HAF    CAF    OAA     109.470    3.000
 MIG      HAFA   CAF    OAA     109.470    3.000
 MIG      CAF    OAA    HOAA    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
 MIG      var_1    HOAE   OAE    CAL    CAM      179.812   20.000   1
 MIG      var_2    OAE    CAL    CAK    CAJ      180.000   20.000   3
 MIG      var_3    CAL    CAK    OAD    HOAD    -179.717   20.000   1
 MIG      var_4    CAL    CAK    CAJ    OAC      180.000   20.000   3
 MIG      var_5    CAK    CAJ    OAC    HOAC     179.834   20.000   1
 MIG      var_6    OAE    CAL    CAM    NAN      180.000   20.000   3
 MIG      var_7    CAL    CAM    CAG    OAB     -171.199   20.000   3
 MIG      var_8    CAM    CAG    OAB    HOAB    -179.992   20.000   1
 MIG      var_9    CAL    CAM    NAN    CAH      180.000   20.000   1
 MIG      var_10   CAM    NAN    CAI    CAJ      -60.000   20.000   1
 MIG      var_11   NAN    CAI    CAJ    CAK       60.000   20.000   3
 MIG      var_12   CAM    NAN    CAH    CAF      -66.252   20.000   1
 MIG      var_13   NAN    CAH    CAF    OAA       66.817   20.000   3
 MIG      var_14   CAH    CAF    OAA    HOAA     179.989   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
 MIG      chir_01  CAJ    OAC    CAI    CAK       negativ
 MIG      chir_02  CAK    OAD    CAJ    CAL       positiv
 MIG      chir_03  CAL    OAE    CAK    CAM       negativ
 MIG      chir_04  CAM    CAG    CAL    NAN       positiv
 MIG      chir_05  NAN    CAH    CAI    CAM       positiv
# ------------------------------------------------------
