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
MYL      MYL 'Mycalamide A                        ' non-polymer        76  35 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MYL
#
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
 MYL           OAG    O    O         0.000      0.000    0.000    0.000
 MYL           CAW    C    C         0.000     -1.100   -0.469    0.201
 MYL           CBB    C    CH1       0.000     -1.312   -1.429    1.344
 MYL           HBB    H    H         0.000     -1.802   -2.339    0.971
 MYL           OAJ    O    OH1       0.000     -0.050   -1.768    1.921
 MYL           HOAJ   H    H         0.000      0.380   -0.967    2.248
 MYL           CBH    C    CT        0.000     -2.198   -0.771    2.404
 MYL           CAN    C    CH2       0.000     -1.470    0.442    2.998
 MYL           HANA   H    H         0.000     -1.135    1.107    2.200
 MYL           HAN    H    H         0.000     -0.608    0.113    3.582
 MYL           OAQ    O    O2        0.000     -2.481   -1.713    3.441
 MYL           CAB    C    CH3       0.000     -3.260   -2.831    3.012
 MYL           HABB   H    H         0.000     -4.201   -2.493    2.662
 MYL           HABA   H    H         0.000     -2.754   -3.337    2.231
 MYL           HAB    H    H         0.000     -3.405   -3.494    3.825
 MYL           OAT    O    O2        0.000     -3.421   -0.339    1.805
 MYL           CAY    C    CH1       0.000     -4.376    0.194    2.724
 MYL           HAY    H    H         0.000     -4.571   -0.541    3.518
 MYL           CAC    C    CH3       0.000     -5.679    0.505    1.985
 MYL           HACB   H    H         0.000     -6.388    0.900    2.666
 MYL           HACA   H    H         0.000     -5.492    1.215    1.221
 MYL           HAC    H    H         0.000     -6.063   -0.383    1.553
 MYL           CAZ    C    CH1       0.000     -3.819    1.481    3.344
 MYL           HAZ    H    H         0.000     -4.479    1.819    4.155
 MYL           CAD    C    CH3       0.000     -3.717    2.569    2.273
 MYL           HADB   H    H         0.000     -4.682    2.779    1.889
 MYL           HADA   H    H         0.000     -3.309    3.449    2.699
 MYL           HAD    H    H         0.000     -3.090    2.235    1.487
 MYL           CAV    C    C         0.000     -2.441    1.179    3.898
 MYL           CAA    C    C2        0.000     -2.102    1.542    5.110
 MYL           HAAA   H    H         0.000     -2.809    2.065    5.728
 MYL           HAA    H    H         0.000     -1.119    1.315    5.481
 MYL           NAP    N    NH1       0.000     -2.132   -0.131   -0.597
 MYL           HNAP   H    H         0.000     -3.031   -0.575   -0.474
 MYL           CBC    C    CH1       0.000     -1.951    0.879   -1.642
 MYL           HBC    H    H         0.000     -0.893    0.920   -1.937
 MYL           OAR    O    O2        0.000     -2.361    2.159   -1.148
 MYL           CBG    C    CH1       0.000     -2.812    0.521   -2.859
 MYL           HBG    H    H         0.000     -2.456   -0.417   -3.306
 MYL           OAU    O    O2        0.000     -4.171    0.376   -2.441
 MYL           CBF    C    CH1       0.000     -2.710    1.657   -3.882
 MYL           HBF    H    H         0.000     -1.678    1.726   -4.251
 MYL           OAS    O    O2        0.000     -3.072    2.887   -3.250
 MYL           CAM    C    CH2       0.000     -2.267    3.209   -2.112
 MYL           HAMA   H    H         0.000     -2.620    4.143   -1.671
 MYL           HAM    H    H         0.000     -1.227    3.326   -2.425
 MYL           CBD    C    CH1       0.000     -3.653    1.381   -5.053
 MYL           HBD    H    H         0.000     -3.628    2.229   -5.752
 MYL           OAK    O    O2        0.000     -3.236    0.193   -5.731
 MYL           CAG    C    CH3       0.000     -2.303    0.424   -6.788
 MYL           HAGB   H    H         0.000     -2.741    1.060   -7.514
 MYL           HAGA   H    H         0.000     -1.432    0.882   -6.398
 MYL           HAG    H    H         0.000     -2.044   -0.499   -7.239
 MYL           CBE    C    CT        0.000     -5.078    1.194   -4.524
 MYL           CAE    C    CH3       0.000     -5.550    2.490   -3.861
 MYL           HAEB   H    H         0.000     -5.006    2.649   -2.966
 MYL           HAEA   H    H         0.000     -5.391    3.304   -4.520
 MYL           HAE    H    H         0.000     -6.583    2.416   -3.636
 MYL           CAF    C    CH3       0.000     -6.013    0.840   -5.681
 MYL           HAFB   H    H         0.000     -5.685   -0.057   -6.140
 MYL           HAFA   H    H         0.000     -6.998    0.707   -5.312
 MYL           HAF    H    H         0.000     -6.007    1.623   -6.394
 MYL           CBA    C    CH1       0.000     -5.082    0.061   -3.494
 MYL           HBA    H    H         0.000     -6.094   -0.057   -3.082
 MYL           CAO    C    CH2       0.000     -4.650   -1.243   -4.169
 MYL           HAO    H    H         0.000     -3.602   -1.168   -4.467
 MYL           HAOA   H    H         0.000     -5.267   -1.417   -5.053
 MYL           CAX    C    CH1       0.000     -4.822   -2.406   -3.188
 MYL           HAX    H    H         0.000     -5.857   -2.425   -2.820
 MYL           OAI    O    OH1       0.000     -3.928   -2.236   -2.087
 MYL           HOAI   H    H         0.000     -3.017   -2.220   -2.412
 MYL           CAL    C    CH2       0.000     -4.509   -3.724   -3.900
 MYL           HAL    H    H         0.000     -3.456   -3.741   -4.188
 MYL           HALA   H    H         0.000     -5.131   -3.810   -4.794
 MYL           OAH    O    OH1       0.000     -4.782   -4.816   -3.020
 MYL           HOAH   H    H         0.000     -4.584   -5.649   -3.471
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
 MYL      OAG    n/a    CAW    START
 MYL      CAW    OAG    NAP    .
 MYL      CBB    CAW    CBH    .
 MYL      HBB    CBB    .      .
 MYL      OAJ    CBB    HOAJ   .
 MYL      HOAJ   OAJ    .      .
 MYL      CBH    CBB    OAT    .
 MYL      CAN    CBH    HAN    .
 MYL      HANA   CAN    .      .
 MYL      HAN    CAN    .      .
 MYL      OAQ    CBH    CAB    .
 MYL      CAB    OAQ    HAB    .
 MYL      HABB   CAB    .      .
 MYL      HABA   CAB    .      .
 MYL      HAB    CAB    .      .
 MYL      OAT    CBH    CAY    .
 MYL      CAY    OAT    CAZ    .
 MYL      HAY    CAY    .      .
 MYL      CAC    CAY    HAC    .
 MYL      HACB   CAC    .      .
 MYL      HACA   CAC    .      .
 MYL      HAC    CAC    .      .
 MYL      CAZ    CAY    CAV    .
 MYL      HAZ    CAZ    .      .
 MYL      CAD    CAZ    HAD    .
 MYL      HADB   CAD    .      .
 MYL      HADA   CAD    .      .
 MYL      HAD    CAD    .      .
 MYL      CAV    CAZ    CAA    .
 MYL      CAA    CAV    HAA    .
 MYL      HAAA   CAA    .      .
 MYL      HAA    CAA    .      .
 MYL      NAP    CAW    CBC    .
 MYL      HNAP   NAP    .      .
 MYL      CBC    NAP    CBG    .
 MYL      HBC    CBC    .      .
 MYL      OAR    CBC    .      .
 MYL      CBG    CBC    CBF    .
 MYL      HBG    CBG    .      .
 MYL      OAU    CBG    .      .
 MYL      CBF    CBG    CBD    .
 MYL      HBF    CBF    .      .
 MYL      OAS    CBF    CAM    .
 MYL      CAM    OAS    HAM    .
 MYL      HAMA   CAM    .      .
 MYL      HAM    CAM    .      .
 MYL      CBD    CBF    CBE    .
 MYL      HBD    CBD    .      .
 MYL      OAK    CBD    CAG    .
 MYL      CAG    OAK    HAG    .
 MYL      HAGB   CAG    .      .
 MYL      HAGA   CAG    .      .
 MYL      HAG    CAG    .      .
 MYL      CBE    CBD    CBA    .
 MYL      CAE    CBE    HAE    .
 MYL      HAEB   CAE    .      .
 MYL      HAEA   CAE    .      .
 MYL      HAE    CAE    .      .
 MYL      CAF    CBE    HAF    .
 MYL      HAFB   CAF    .      .
 MYL      HAFA   CAF    .      .
 MYL      HAF    CAF    .      .
 MYL      CBA    CBE    CAO    .
 MYL      HBA    CBA    .      .
 MYL      CAO    CBA    CAX    .
 MYL      HAO    CAO    .      .
 MYL      HAOA   CAO    .      .
 MYL      CAX    CAO    CAL    .
 MYL      HAX    CAX    .      .
 MYL      OAI    CAX    HOAI   .
 MYL      HOAI   OAI    .      .
 MYL      CAL    CAX    OAH    .
 MYL      HAL    CAL    .      .
 MYL      HALA   CAL    .      .
 MYL      OAH    CAL    HOAH   .
 MYL      HOAH   OAH    .      END
 MYL      CAM    OAR    .    ADD
 MYL      CAN    CAV    .    ADD
 MYL      OAU    CBA    .    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
 MYL      CAA    CAV       double      1.320    0.020
 MYL      HAA    CAA       single      1.077    0.020
 MYL      HAAA   CAA       single      1.077    0.020
 MYL      CAB    OAQ       single      1.426    0.020
 MYL      HAB    CAB       single      1.059    0.020
 MYL      HABA   CAB       single      1.059    0.020
 MYL      HABB   CAB       single      1.059    0.020
 MYL      CAC    CAY       single      1.524    0.020
 MYL      HAC    CAC       single      1.059    0.020
 MYL      HACA   CAC       single      1.059    0.020
 MYL      HACB   CAC       single      1.059    0.020
 MYL      CAD    CAZ       single      1.524    0.020
 MYL      HAD    CAD       single      1.059    0.020
 MYL      HADA   CAD       single      1.059    0.020
 MYL      HADB   CAD       single      1.059    0.020
 MYL      CAE    CBE       single      1.524    0.020
 MYL      HAE    CAE       single      1.059    0.020
 MYL      HAEA   CAE       single      1.059    0.020
 MYL      HAEB   CAE       single      1.059    0.020
 MYL      CAF    CBE       single      1.524    0.020
 MYL      HAF    CAF       single      1.059    0.020
 MYL      HAFA   CAF       single      1.059    0.020
 MYL      HAFB   CAF       single      1.059    0.020
 MYL      CAG    OAK       single      1.426    0.020
 MYL      HAG    CAG       single      1.059    0.020
 MYL      HAGA   CAG       single      1.059    0.020
 MYL      HAGB   CAG       single      1.059    0.020
 MYL      CAW    OAG       double      1.220    0.020
 MYL      OAH    CAL       single      1.432    0.020
 MYL      HOAH   OAH       single      0.967    0.020
 MYL      OAI    CAX       single      1.432    0.020
 MYL      HOAI   OAI       single      0.967    0.020
 MYL      OAJ    CBB       single      1.432    0.020
 MYL      HOAJ   OAJ       single      0.967    0.020
 MYL      OAK    CBD       single      1.426    0.020
 MYL      CAL    CAX       single      1.524    0.020
 MYL      HAL    CAL       single      1.092    0.020
 MYL      HALA   CAL       single      1.092    0.020
 MYL      CAM    OAS       single      1.426    0.020
 MYL      CAM    OAR       single      1.426    0.020
 MYL      HAM    CAM       single      1.092    0.020
 MYL      HAMA   CAM       single      1.092    0.020
 MYL      CAN    CBH       single      1.524    0.020
 MYL      CAN    CAV       single      1.510    0.020
 MYL      HAN    CAN       single      1.092    0.020
 MYL      HANA   CAN       single      1.092    0.020
 MYL      CAO    CBA       single      1.524    0.020
 MYL      CAX    CAO       single      1.524    0.020
 MYL      HAO    CAO       single      1.092    0.020
 MYL      HAOA   CAO       single      1.092    0.020
 MYL      CBC    NAP       single      1.450    0.020
 MYL      NAP    CAW       single      1.330    0.020
 MYL      HNAP   NAP       single      1.010    0.020
 MYL      OAQ    CBH       single      1.426    0.020
 MYL      OAR    CBC       single      1.426    0.020
 MYL      OAS    CBF       single      1.426    0.020
 MYL      OAT    CBH       single      1.426    0.020
 MYL      CAY    OAT       single      1.426    0.020
 MYL      OAU    CBA       single      1.426    0.020
 MYL      OAU    CBG       single      1.426    0.020
 MYL      CAV    CAZ       single      1.500    0.020
 MYL      CBB    CAW       single      1.500    0.020
 MYL      HAX    CAX       single      1.099    0.020
 MYL      CAZ    CAY       single      1.524    0.020
 MYL      HAY    CAY       single      1.099    0.020
 MYL      HAZ    CAZ       single      1.099    0.020
 MYL      CBA    CBE       single      1.524    0.020
 MYL      HBA    CBA       single      1.099    0.020
 MYL      CBH    CBB       single      1.524    0.020
 MYL      HBB    CBB       single      1.099    0.020
 MYL      CBG    CBC       single      1.524    0.020
 MYL      HBC    CBC       single      1.099    0.020
 MYL      CBE    CBD       single      1.524    0.020
 MYL      CBD    CBF       single      1.524    0.020
 MYL      HBD    CBD       single      1.099    0.020
 MYL      CBF    CBG       single      1.524    0.020
 MYL      HBF    CBF       single      1.099    0.020
 MYL      HBG    CBG       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
 MYL      OAG    CAW    CBB     120.500    3.000
 MYL      OAG    CAW    NAP     123.000    3.000
 MYL      CBB    CAW    NAP     116.500    3.000
 MYL      CAW    CBB    HBB     108.810    3.000
 MYL      CAW    CBB    OAJ     109.470    3.000
 MYL      CAW    CBB    CBH     109.470    3.000
 MYL      HBB    CBB    OAJ     109.470    3.000
 MYL      HBB    CBB    CBH     108.340    3.000
 MYL      OAJ    CBB    CBH     109.470    3.000
 MYL      CBB    OAJ    HOAJ    109.470    3.000
 MYL      CBB    CBH    CAN     111.000    3.000
 MYL      CBB    CBH    OAQ     109.470    3.000
 MYL      CBB    CBH    OAT     109.470    3.000
 MYL      CAN    CBH    OAQ     109.470    3.000
 MYL      CAN    CBH    OAT     109.470    3.000
 MYL      OAQ    CBH    OAT     109.500    3.000
 MYL      CBH    CAN    HANA    109.470    3.000
 MYL      CBH    CAN    HAN     109.470    3.000
 MYL      CBH    CAN    CAV     109.470    3.000
 MYL      HANA   CAN    HAN     107.900    3.000
 MYL      HANA   CAN    CAV     109.470    3.000
 MYL      HAN    CAN    CAV     109.470    3.000
 MYL      CBH    OAQ    CAB     120.000    3.000
 MYL      OAQ    CAB    HABB    109.470    3.000
 MYL      OAQ    CAB    HABA    109.470    3.000
 MYL      OAQ    CAB    HAB     109.470    3.000
 MYL      HABB   CAB    HABA    109.470    3.000
 MYL      HABB   CAB    HAB     109.470    3.000
 MYL      HABA   CAB    HAB     109.470    3.000
 MYL      CBH    OAT    CAY     111.800    3.000
 MYL      OAT    CAY    HAY     109.470    3.000
 MYL      OAT    CAY    CAC     109.470    3.000
 MYL      OAT    CAY    CAZ     109.470    3.000
 MYL      HAY    CAY    CAC     108.340    3.000
 MYL      HAY    CAY    CAZ     108.340    3.000
 MYL      CAC    CAY    CAZ     111.000    3.000
 MYL      CAY    CAC    HACB    109.470    3.000
 MYL      CAY    CAC    HACA    109.470    3.000
 MYL      CAY    CAC    HAC     109.470    3.000
 MYL      HACB   CAC    HACA    109.470    3.000
 MYL      HACB   CAC    HAC     109.470    3.000
 MYL      HACA   CAC    HAC     109.470    3.000
 MYL      CAY    CAZ    HAZ     108.340    3.000
 MYL      CAY    CAZ    CAD     111.000    3.000
 MYL      CAY    CAZ    CAV     109.470    3.000
 MYL      HAZ    CAZ    CAD     108.340    3.000
 MYL      HAZ    CAZ    CAV     108.810    3.000
 MYL      CAD    CAZ    CAV     109.470    3.000
 MYL      CAZ    CAD    HADB    109.470    3.000
 MYL      CAZ    CAD    HADA    109.470    3.000
 MYL      CAZ    CAD    HAD     109.470    3.000
 MYL      HADB   CAD    HADA    109.470    3.000
 MYL      HADB   CAD    HAD     109.470    3.000
 MYL      HADA   CAD    HAD     109.470    3.000
 MYL      CAZ    CAV    CAA     120.000    3.000
 MYL      CAZ    CAV    CAN     120.000    3.000
 MYL      CAA    CAV    CAN     120.000    3.000
 MYL      CAV    CAA    HAAA    120.000    3.000
 MYL      CAV    CAA    HAA     120.000    3.000
 MYL      HAAA   CAA    HAA     120.000    3.000
 MYL      CAW    NAP    HNAP    120.000    3.000
 MYL      CAW    NAP    CBC     121.500    3.000
 MYL      HNAP   NAP    CBC     118.500    3.000
 MYL      NAP    CBC    HBC     108.550    3.000
 MYL      NAP    CBC    OAR     109.500    3.000
 MYL      NAP    CBC    CBG     110.000    3.000
 MYL      HBC    CBC    OAR     109.470    3.000
 MYL      HBC    CBC    CBG     108.340    3.000
 MYL      OAR    CBC    CBG     109.470    3.000
 MYL      CBC    OAR    CAM     111.800    3.000
 MYL      CBC    CBG    HBG     108.340    3.000
 MYL      CBC    CBG    OAU     109.470    3.000
 MYL      CBC    CBG    CBF     111.000    3.000
 MYL      HBG    CBG    OAU     109.470    3.000
 MYL      HBG    CBG    CBF     108.340    3.000
 MYL      OAU    CBG    CBF     109.470    3.000
 MYL      CBG    OAU    CBA     111.800    3.000
 MYL      CBG    CBF    HBF     108.340    3.000
 MYL      CBG    CBF    OAS     109.470    3.000
 MYL      CBG    CBF    CBD     111.000    3.000
 MYL      HBF    CBF    OAS     109.470    3.000
 MYL      HBF    CBF    CBD     108.340    3.000
 MYL      OAS    CBF    CBD     109.470    3.000
 MYL      CBF    OAS    CAM     111.800    3.000
 MYL      OAS    CAM    HAMA    109.470    3.000
 MYL      OAS    CAM    HAM     109.470    3.000
 MYL      OAS    CAM    OAR     109.500    3.000
 MYL      HAMA   CAM    HAM     107.900    3.000
 MYL      HAMA   CAM    OAR     109.470    3.000
 MYL      HAM    CAM    OAR     109.470    3.000
 MYL      CBF    CBD    HBD     108.340    3.000
 MYL      CBF    CBD    OAK     109.470    3.000
 MYL      CBF    CBD    CBE     111.000    3.000
 MYL      HBD    CBD    OAK     109.470    3.000
 MYL      HBD    CBD    CBE     108.340    3.000
 MYL      OAK    CBD    CBE     109.470    3.000
 MYL      CBD    OAK    CAG     111.800    3.000
 MYL      OAK    CAG    HAGB    109.470    3.000
 MYL      OAK    CAG    HAGA    109.470    3.000
 MYL      OAK    CAG    HAG     109.470    3.000
 MYL      HAGB   CAG    HAGA    109.470    3.000
 MYL      HAGB   CAG    HAG     109.470    3.000
 MYL      HAGA   CAG    HAG     109.470    3.000
 MYL      CBD    CBE    CAE     111.000    3.000
 MYL      CBD    CBE    CAF     111.000    3.000
 MYL      CBD    CBE    CBA     111.000    3.000
 MYL      CAE    CBE    CAF     111.000    3.000
 MYL      CAE    CBE    CBA     111.000    3.000
 MYL      CAF    CBE    CBA     111.000    3.000
 MYL      CBE    CAE    HAEB    109.470    3.000
 MYL      CBE    CAE    HAEA    109.470    3.000
 MYL      CBE    CAE    HAE     109.470    3.000
 MYL      HAEB   CAE    HAEA    109.470    3.000
 MYL      HAEB   CAE    HAE     109.470    3.000
 MYL      HAEA   CAE    HAE     109.470    3.000
 MYL      CBE    CAF    HAFB    109.470    3.000
 MYL      CBE    CAF    HAFA    109.470    3.000
 MYL      CBE    CAF    HAF     109.470    3.000
 MYL      HAFB   CAF    HAFA    109.470    3.000
 MYL      HAFB   CAF    HAF     109.470    3.000
 MYL      HAFA   CAF    HAF     109.470    3.000
 MYL      CBE    CBA    HBA     108.340    3.000
 MYL      CBE    CBA    CAO     111.000    3.000
 MYL      CBE    CBA    OAU     109.470    3.000
 MYL      HBA    CBA    CAO     108.340    3.000
 MYL      HBA    CBA    OAU     109.470    3.000
 MYL      CAO    CBA    OAU     109.470    3.000
 MYL      CBA    CAO    HAO     109.470    3.000
 MYL      CBA    CAO    HAOA    109.470    3.000
 MYL      CBA    CAO    CAX     111.000    3.000
 MYL      HAO    CAO    HAOA    107.900    3.000
 MYL      HAO    CAO    CAX     109.470    3.000
 MYL      HAOA   CAO    CAX     109.470    3.000
 MYL      CAO    CAX    HAX     108.340    3.000
 MYL      CAO    CAX    OAI     109.470    3.000
 MYL      CAO    CAX    CAL     109.470    3.000
 MYL      HAX    CAX    OAI     109.470    3.000
 MYL      HAX    CAX    CAL     108.340    3.000
 MYL      OAI    CAX    CAL     109.470    3.000
 MYL      CAX    OAI    HOAI    109.470    3.000
 MYL      CAX    CAL    HAL     109.470    3.000
 MYL      CAX    CAL    HALA    109.470    3.000
 MYL      CAX    CAL    OAH     109.470    3.000
 MYL      HAL    CAL    HALA    107.900    3.000
 MYL      HAL    CAL    OAH     109.470    3.000
 MYL      HALA   CAL    OAH     109.470    3.000
 MYL      CAL    OAH    HOAH    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
 MYL      var_1    OAG    CAW    CBB    CBH      112.092   20.000   3
 MYL      var_2    CAW    CBB    OAJ    HOAJ      60.002   20.000   1
 MYL      var_3    CAW    CBB    CBH    OAT       55.656   20.000   1
 MYL      var_4    CBB    CBH    CAN    CAV      180.000   20.000   1
 MYL      var_5    CBH    CAN    CAV    CAZ      -60.000   20.000   3
 MYL      var_6    CBB    CBH    OAQ    CAB      -64.963   20.000   1
 MYL      var_7    CBH    OAQ    CAB    HAB      178.417   20.000   1
 MYL      var_8    CBB    CBH    OAT    CAY      180.000   20.000   1
 MYL      var_9    CBH    OAT    CAY    CAZ       60.000   20.000   1
 MYL      var_10   OAT    CAY    CAC    HAC       59.985   20.000   3
 MYL      var_11   OAT    CAY    CAZ    CAV      -60.000   20.000   3
 MYL      var_12   CAY    CAZ    CAD    HAD      -58.601   20.000   3
 MYL      var_13   CAY    CAZ    CAV    CAA     -120.000   20.000   3
 MYL      CONST_1  CAZ    CAV    CAA    HAA      179.939    0.000   0
 MYL      CONST_2  OAG    CAW    NAP    CBC        0.000    0.000   0
 MYL      var_14   CAW    NAP    CBC    CBG      145.670   20.000   3
 MYL      var_15   NAP    CBC    OAR    CAM      180.000   20.000   1
 MYL      var_16   NAP    CBC    CBG    CBF      180.000   20.000   3
 MYL      var_17   CBC    CBG    OAU    CBA      180.000   20.000   1
 MYL      var_18   CBG    OAU    CBA    CBE      -60.000   20.000   1
 MYL      var_19   CBC    CBG    CBF    CBD      180.000   20.000   3
 MYL      var_20   CBG    CBF    OAS    CAM       60.000   20.000   1
 MYL      var_21   CBF    OAS    CAM    OAR      -60.000   20.000   1
 MYL      var_22   OAS    CAM    OAR    CBC       60.000   20.000   1
 MYL      var_23   CBG    CBF    CBD    CBE       60.000   20.000   3
 MYL      var_24   CBF    CBD    OAK    CAG      -89.995   20.000   1
 MYL      var_25   CBD    OAK    CAG    HAG     -179.994   20.000   1
 MYL      var_26   CBF    CBD    CBE    CBA      -60.000   20.000   1
 MYL      var_27   CBD    CBE    CAE    HAE      170.883   20.000   1
 MYL      var_28   CBD    CBE    CAF    HAF      -60.253   20.000   1
 MYL      var_29   CBD    CBE    CBA    CAO      -60.000   20.000   1
 MYL      var_30   CBE    CBA    CAO    CAX     -172.985   20.000   3
 MYL      var_31   CBA    CAO    CAX    CAL      174.997   20.000   3
 MYL      var_32   CAO    CAX    OAI    HOAI     -60.025   20.000   1
 MYL      var_33   CAO    CAX    CAL    OAH     -174.979   20.000   3
 MYL      var_34   CAX    CAL    OAH    HOAH     179.984   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
 MYL      chir_01  CAX    OAI    CAL    CAO       positiv
 MYL      chir_02  CAY    CAC    OAT    CAZ       negativ
 MYL      chir_03  CAZ    CAD    CAV    CAY       positiv
 MYL      chir_04  CBA    CAO    OAU    CBE       negativ
 MYL      chir_05  CBB    OAJ    CAW    CBH       positiv
 MYL      chir_06  CBC    NAP    OAR    CBG       positiv
 MYL      chir_07  CBD    OAK    CBE    CBF       negativ
 MYL      chir_08  CBE    CAE    CAF    CBA       positiv
 MYL      chir_09  CBF    OAS    CBD    CBG       positiv
 MYL      chir_10  CBG    OAU    CBC    CBF       positiv
 MYL      chir_11  CBH    CAN    OAQ    OAT       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
 MYL      plan-1    CAA       0.020
 MYL      plan-1    CAV       0.020
 MYL      plan-1    HAA       0.020
 MYL      plan-1    HAAA      0.020
 MYL      plan-1    CAN       0.020
 MYL      plan-1    CAZ       0.020
 MYL      plan-2    NAP       0.020
 MYL      plan-2    CAW       0.020
 MYL      plan-2    CBC       0.020
 MYL      plan-2    HNAP      0.020
 MYL      plan-3    CAW       0.020
 MYL      plan-3    OAG       0.020
 MYL      plan-3    NAP       0.020
 MYL      plan-3    CBB       0.020
 MYL      plan-3    HNAP      0.020
# ------------------------------------------------------
