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
LY4      LY4 '(9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,1' non-polymer        63  35 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_LY4
#
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
 LY4           OAB    O    O         0.000      0.000    0.000    0.000
 LY4           CAC    C    CR5       0.000     -1.067   -0.555    0.164
 LY4           NAD    N    NR15      0.000     -1.182   -1.842    0.503
 LY4           HAD    H    H         0.000     -0.383   -2.480    0.691
 LY4           CAE    C    CR5       0.000     -2.472   -2.194    0.569
 LY4           OAF    O    O         0.000     -2.875   -3.225    1.042
 LY4           CAG    C    CR5       0.000     -2.420    0.053   -0.017
 LY4           CAH    C    CR5       0.000     -3.319   -1.032   -0.002
 LY4           CAM    C    CR5       0.000     -4.683   -1.167   -0.324
 LY4           CAV    C    CR15      0.000     -5.684   -0.171   -0.779
 LY4           HAV    H    H         0.000     -5.462    0.827   -1.136
 LY4           CAN    C    CR56      0.000     -5.401   -2.386   -0.244
 LY4           CAO    C    CR16      0.000     -5.025   -3.792   -0.120
 LY4           HAO    H    H         0.000     -3.990   -4.095   -0.211
 LY4           CAP    C    CR16      0.000     -6.014   -4.730    0.117
 LY4           HAP    H    H         0.000     -5.749   -5.770    0.268
 LY4           CAZ    C    CR16      0.000     -7.341   -4.342    0.159
 LY4           HAZ    H    H         0.000     -8.104   -5.077    0.387
 LY4           CAY    C    CR16      0.000     -7.715   -3.009   -0.088
 LY4           HAY    H    H         0.000     -8.764   -2.740   -0.090
 LY4           CAX    C    CR56      0.000     -6.772   -2.053   -0.326
 LY4           NAW    N    NR5       0.000     -6.889   -0.700   -0.679
 LY4           CBB    C    CH2       0.000     -8.189   -0.080   -0.928
 LY4           HBB2   H    H         0.000     -8.688    0.033    0.036
 LY4           HBB1   H    H         0.000     -8.763   -0.764   -1.556
 LY4           CAL    C    CR5       0.000     -2.637    1.446   -0.128
 LY4           CAK    C    CR56      0.000     -1.605    2.508   -0.114
 LY4           CAS    C    CR56      0.000     -2.325    3.719   -0.595
 LY4           CAR    C    CR16      0.000     -1.571    4.886   -0.887
 LY4           HAR    H    H         0.000     -2.049    5.745   -1.340
 LY4           CAQ    C    CR16      0.000     -0.209    4.915   -0.586
 LY4           HAQ    H    H         0.000      0.361    5.813   -0.791
 LY4           CAI    C    CR16      0.000      0.431    3.815   -0.027
 LY4           HAI    H    H         0.000      1.482    3.880    0.223
 LY4           CAJ    C    CR16      0.000     -0.275    2.607    0.221
 LY4           HAJ    H    H         0.000      0.235    1.765    0.673
 LY4           NAT    N    NR5       0.000     -3.629    3.446   -0.644
 LY4           CAU    C    CR15      0.000     -3.893    2.209   -0.258
 LY4           HAU    H    H         0.000     -4.884    1.815   -0.066
 LY4           CBA    C    CH2       0.000     -4.605    4.464   -1.028
 LY4           HBA1   H    H         0.000     -4.573    4.585   -2.112
 LY4           HBA2   H    H         0.000     -4.332    5.406   -0.549
 LY4           CBC    C    CH2       0.000     -6.017    4.064   -0.600
 LY4           HBC1   H    H         0.000     -6.742    4.756   -1.034
 LY4           HBC2   H    H         0.000     -6.094    4.096    0.489
 LY4           OBE    O    O2        0.000     -6.286    2.743   -1.058
 LY4           CBF    C    CH1       0.000     -7.618    2.390   -0.688
 LY4           HBF    H    H         0.000     -8.267    3.263   -0.839
 LY4           CBD    C    CH2       0.000     -8.089    1.268   -1.607
 LY4           HBD2   H    H         0.000     -7.378    1.209   -2.434
 LY4           HBD1   H    H         0.000     -9.069    1.557   -1.992
 LY4           CBG    C    CH2       0.000     -7.672    1.991    0.784
 LY4           HBG1   H    H         0.000     -6.966    1.179    0.967
 LY4           HBG2   H    H         0.000     -8.682    1.657    1.033
 LY4           NBH    N    NT        0.000     -7.318    3.147    1.618
 LY4           CBJ    C    CH3       0.000     -7.151    2.644    2.988
 LY4           HBJ3   H    H         0.000     -6.381    1.918    3.006
 LY4           HBJ2   H    H         0.000     -6.894    3.447    3.630
 LY4           HBJ1   H    H         0.000     -8.058    2.206    3.317
 LY4           CBI    C    CH3       0.000     -8.491    4.032    1.633
 LY4           HBI3   H    H         0.000     -9.343    3.483    1.940
 LY4           HBI2   H    H         0.000     -8.323    4.830    2.309
 LY4           HBI1   H    H         0.000     -8.653    4.421    0.662
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
 LY4      OAB    n/a    CAC    START
 LY4      CAC    OAB    CAG    .
 LY4      NAD    CAC    CAE    .
 LY4      HAD    NAD    .      .
 LY4      CAE    NAD    OAF    .
 LY4      OAF    CAE    .      .
 LY4      CAG    CAC    CAL    .
 LY4      CAH    CAG    CAM    .
 LY4      CAM    CAH    CAN    .
 LY4      CAV    CAM    HAV    .
 LY4      HAV    CAV    .      .
 LY4      CAN    CAM    CAX    .
 LY4      CAO    CAN    CAP    .
 LY4      HAO    CAO    .      .
 LY4      CAP    CAO    CAZ    .
 LY4      HAP    CAP    .      .
 LY4      CAZ    CAP    CAY    .
 LY4      HAZ    CAZ    .      .
 LY4      CAY    CAZ    HAY    .
 LY4      HAY    CAY    .      .
 LY4      CAX    CAN    NAW    .
 LY4      NAW    CAX    CBB    .
 LY4      CBB    NAW    HBB1   .
 LY4      HBB2   CBB    .      .
 LY4      HBB1   CBB    .      .
 LY4      CAL    CAG    CAK    .
 LY4      CAK    CAL    CAS    .
 LY4      CAS    CAK    NAT    .
 LY4      CAR    CAS    CAQ    .
 LY4      HAR    CAR    .      .
 LY4      CAQ    CAR    CAI    .
 LY4      HAQ    CAQ    .      .
 LY4      CAI    CAQ    CAJ    .
 LY4      HAI    CAI    .      .
 LY4      CAJ    CAI    HAJ    .
 LY4      HAJ    CAJ    .      .
 LY4      NAT    CAS    CBA    .
 LY4      CAU    NAT    HAU    .
 LY4      HAU    CAU    .      .
 LY4      CBA    NAT    CBC    .
 LY4      HBA1   CBA    .      .
 LY4      HBA2   CBA    .      .
 LY4      CBC    CBA    OBE    .
 LY4      HBC1   CBC    .      .
 LY4      HBC2   CBC    .      .
 LY4      OBE    CBC    CBF    .
 LY4      CBF    OBE    CBG    .
 LY4      HBF    CBF    .      .
 LY4      CBD    CBF    HBD1   .
 LY4      HBD2   CBD    .      .
 LY4      HBD1   CBD    .      .
 LY4      CBG    CBF    NBH    .
 LY4      HBG1   CBG    .      .
 LY4      HBG2   CBG    .      .
 LY4      NBH    CBG    CBI    .
 LY4      CBJ    NBH    HBJ1   .
 LY4      HBJ3   CBJ    .      .
 LY4      HBJ2   CBJ    .      .
 LY4      HBJ1   CBJ    .      .
 LY4      CBI    NBH    HBI1   .
 LY4      HBI3   CBI    .      .
 LY4      HBI2   CBI    .      .
 LY4      HBI1   CBI    .      END
 LY4      CBD    CBB    .    ADD
 LY4      NAW    CAV    .    ADD
 LY4      CAX    CAY    .    ADD
 LY4      CAH    CAE    .    ADD
 LY4      CAL    CAU    .    ADD
 LY4      CAK    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
 LY4      CBD    CBB       single      1.524    0.020
 LY4      CBD    CBF       single      1.524    0.020
 LY4      HBD1   CBD       single      1.092    0.020
 LY4      HBD2   CBD       single      1.092    0.020
 LY4      CBB    NAW       single      1.462    0.020
 LY4      HBB1   CBB       single      1.092    0.020
 LY4      HBB2   CBB       single      1.092    0.020
 LY4      NAW    CAV       single      1.337    0.020
 LY4      NAW    CAX       single      1.337    0.020
 LY4      CAV    CAM       double      1.387    0.020
 LY4      HAV    CAV       single      1.083    0.020
 LY4      CAX    CAY       double      1.390    0.020
 LY4      CAX    CAN       single      1.490    0.020
 LY4      CAY    CAZ       single      1.390    0.020
 LY4      HAY    CAY       single      1.083    0.020
 LY4      CAZ    CAP       double      1.390    0.020
 LY4      HAZ    CAZ       single      1.083    0.020
 LY4      CAP    CAO       single      1.390    0.020
 LY4      HAP    CAP       single      1.083    0.020
 LY4      CAO    CAN       double      1.390    0.020
 LY4      HAO    CAO       single      1.083    0.020
 LY4      CAN    CAM       single      1.490    0.020
 LY4      CAM    CAH       single      1.490    0.020
 LY4      CAH    CAE       single      1.490    0.020
 LY4      CAH    CAG       double      1.490    0.020
 LY4      OAF    CAE       double      1.285    0.020
 LY4      CAE    NAD       single      1.340    0.020
 LY4      NAD    CAC       single      1.340    0.020
 LY4      HAD    NAD       single      1.040    0.020
 LY4      CAC    OAB       double      1.285    0.020
 LY4      CAG    CAC       single      1.490    0.020
 LY4      CAL    CAG       single      1.490    0.020
 LY4      CAL    CAU       double      1.387    0.020
 LY4      CAK    CAL       single      1.490    0.020
 LY4      CAU    NAT       single      1.337    0.020
 LY4      HAU    CAU       single      1.083    0.020
 LY4      CAK    CAJ       double      1.390    0.020
 LY4      CAS    CAK       single      1.490    0.020
 LY4      CAJ    CAI       single      1.390    0.020
 LY4      HAJ    CAJ       single      1.083    0.020
 LY4      CAI    CAQ       double      1.390    0.020
 LY4      HAI    CAI       single      1.083    0.020
 LY4      CAQ    CAR       single      1.390    0.020
 LY4      HAQ    CAQ       single      1.083    0.020
 LY4      CAR    CAS       double      1.390    0.020
 LY4      HAR    CAR       single      1.083    0.020
 LY4      NAT    CAS       single      1.337    0.020
 LY4      CBA    NAT       single      1.462    0.020
 LY4      CBC    CBA       single      1.524    0.020
 LY4      HBA1   CBA       single      1.092    0.020
 LY4      HBA2   CBA       single      1.092    0.020
 LY4      OBE    CBC       single      1.426    0.020
 LY4      HBC1   CBC       single      1.092    0.020
 LY4      HBC2   CBC       single      1.092    0.020
 LY4      CBF    OBE       single      1.426    0.020
 LY4      CBG    CBF       single      1.524    0.020
 LY4      HBF    CBF       single      1.099    0.020
 LY4      NBH    CBG       single      1.469    0.020
 LY4      HBG1   CBG       single      1.092    0.020
 LY4      HBG2   CBG       single      1.092    0.020
 LY4      CBI    NBH       single      1.469    0.020
 LY4      CBJ    NBH       single      1.469    0.020
 LY4      HBI1   CBI       single      1.059    0.020
 LY4      HBI2   CBI       single      1.059    0.020
 LY4      HBI3   CBI       single      1.059    0.020
 LY4      HBJ1   CBJ       single      1.059    0.020
 LY4      HBJ2   CBJ       single      1.059    0.020
 LY4      HBJ3   CBJ       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
 LY4      OAB    CAC    NAD     108.000    3.000
 LY4      OAB    CAC    CAG     108.000    3.000
 LY4      NAD    CAC    CAG     108.000    3.000
 LY4      CAC    NAD    HAD     126.000    3.000
 LY4      CAC    NAD    CAE     108.000    3.000
 LY4      HAD    NAD    CAE     126.000    3.000
 LY4      NAD    CAE    OAF     108.000    3.000
 LY4      NAD    CAE    CAH     108.000    3.000
 LY4      OAF    CAE    CAH     108.000    3.000
 LY4      CAC    CAG    CAH     108.000    3.000
 LY4      CAC    CAG    CAL     108.000    3.000
 LY4      CAH    CAG    CAL     108.000    3.000
 LY4      CAG    CAH    CAM     108.000    3.000
 LY4      CAG    CAH    CAE     108.000    3.000
 LY4      CAM    CAH    CAE     108.000    3.000
 LY4      CAH    CAM    CAV     108.000    3.000
 LY4      CAH    CAM    CAN     108.000    3.000
 LY4      CAV    CAM    CAN     108.000    3.000
 LY4      CAM    CAV    HAV     126.000    3.000
 LY4      CAM    CAV    NAW     108.000    3.000
 LY4      HAV    CAV    NAW     126.000    3.000
 LY4      CAM    CAN    CAO     126.000    3.000
 LY4      CAM    CAN    CAX     108.000    3.000
 LY4      CAO    CAN    CAX     120.000    3.000
 LY4      CAN    CAO    HAO     120.000    3.000
 LY4      CAN    CAO    CAP     120.000    3.000
 LY4      HAO    CAO    CAP     120.000    3.000
 LY4      CAO    CAP    HAP     120.000    3.000
 LY4      CAO    CAP    CAZ     120.000    3.000
 LY4      HAP    CAP    CAZ     120.000    3.000
 LY4      CAP    CAZ    HAZ     120.000    3.000
 LY4      CAP    CAZ    CAY     120.000    3.000
 LY4      HAZ    CAZ    CAY     120.000    3.000
 LY4      CAZ    CAY    HAY     120.000    3.000
 LY4      CAZ    CAY    CAX     120.000    3.000
 LY4      HAY    CAY    CAX     120.000    3.000
 LY4      CAN    CAX    NAW     108.000    3.000
 LY4      CAN    CAX    CAY     120.000    3.000
 LY4      NAW    CAX    CAY     132.000    3.000
 LY4      CAX    NAW    CBB     126.000    3.000
 LY4      CAX    NAW    CAV     108.000    3.000
 LY4      CBB    NAW    CAV     126.000    3.000
 LY4      NAW    CBB    HBB2    109.500    3.000
 LY4      NAW    CBB    HBB1    109.500    3.000
 LY4      NAW    CBB    CBD     109.500    3.000
 LY4      HBB2   CBB    HBB1    107.900    3.000
 LY4      HBB2   CBB    CBD     109.470    3.000
 LY4      HBB1   CBB    CBD     109.470    3.000
 LY4      CAG    CAL    CAK     108.000    3.000
 LY4      CAG    CAL    CAU     108.000    3.000
 LY4      CAK    CAL    CAU     108.000    3.000
 LY4      CAL    CAK    CAS     108.000    3.000
 LY4      CAL    CAK    CAJ     126.000    3.000
 LY4      CAS    CAK    CAJ     120.000    3.000
 LY4      CAK    CAS    CAR     120.000    3.000
 LY4      CAK    CAS    NAT     108.000    3.000
 LY4      CAR    CAS    NAT     132.000    3.000
 LY4      CAS    CAR    HAR     120.000    3.000
 LY4      CAS    CAR    CAQ     120.000    3.000
 LY4      HAR    CAR    CAQ     120.000    3.000
 LY4      CAR    CAQ    HAQ     120.000    3.000
 LY4      CAR    CAQ    CAI     120.000    3.000
 LY4      HAQ    CAQ    CAI     120.000    3.000
 LY4      CAQ    CAI    HAI     120.000    3.000
 LY4      CAQ    CAI    CAJ     120.000    3.000
 LY4      HAI    CAI    CAJ     120.000    3.000
 LY4      CAI    CAJ    HAJ     120.000    3.000
 LY4      CAI    CAJ    CAK     120.000    3.000
 LY4      HAJ    CAJ    CAK     120.000    3.000
 LY4      CAS    NAT    CAU     108.000    3.000
 LY4      CAS    NAT    CBA     126.000    3.000
 LY4      CAU    NAT    CBA     126.000    3.000
 LY4      NAT    CAU    HAU     126.000    3.000
 LY4      NAT    CAU    CAL     108.000    3.000
 LY4      HAU    CAU    CAL     126.000    3.000
 LY4      NAT    CBA    HBA1    109.500    3.000
 LY4      NAT    CBA    HBA2    109.500    3.000
 LY4      NAT    CBA    CBC     109.500    3.000
 LY4      HBA1   CBA    HBA2    107.900    3.000
 LY4      HBA1   CBA    CBC     109.470    3.000
 LY4      HBA2   CBA    CBC     109.470    3.000
 LY4      CBA    CBC    HBC1    109.470    3.000
 LY4      CBA    CBC    HBC2    109.470    3.000
 LY4      CBA    CBC    OBE     109.470    3.000
 LY4      HBC1   CBC    HBC2    107.900    3.000
 LY4      HBC1   CBC    OBE     109.470    3.000
 LY4      HBC2   CBC    OBE     109.470    3.000
 LY4      CBC    OBE    CBF     111.800    3.000
 LY4      OBE    CBF    HBF     109.470    3.000
 LY4      OBE    CBF    CBD     109.470    3.000
 LY4      OBE    CBF    CBG     109.470    3.000
 LY4      HBF    CBF    CBD     108.340    3.000
 LY4      HBF    CBF    CBG     108.340    3.000
 LY4      CBD    CBF    CBG     109.470    3.000
 LY4      CBF    CBD    HBD2    109.470    3.000
 LY4      CBF    CBD    HBD1    109.470    3.000
 LY4      CBF    CBD    CBB     111.000    3.000
 LY4      HBD2   CBD    HBD1    107.900    3.000
 LY4      HBD2   CBD    CBB     109.470    3.000
 LY4      HBD1   CBD    CBB     109.470    3.000
 LY4      CBF    CBG    HBG1    109.470    3.000
 LY4      CBF    CBG    HBG2    109.470    3.000
 LY4      CBF    CBG    NBH     109.500    3.000
 LY4      HBG1   CBG    HBG2    107.900    3.000
 LY4      HBG1   CBG    NBH     109.470    3.000
 LY4      HBG2   CBG    NBH     109.470    3.000
 LY4      CBG    NBH    CBJ     109.470    3.000
 LY4      CBG    NBH    CBI     109.470    3.000
 LY4      CBJ    NBH    CBI     109.470    3.000
 LY4      NBH    CBJ    HBJ3    109.470    3.000
 LY4      NBH    CBJ    HBJ2    109.470    3.000
 LY4      NBH    CBJ    HBJ1    109.470    3.000
 LY4      HBJ3   CBJ    HBJ2    109.470    3.000
 LY4      HBJ3   CBJ    HBJ1    109.470    3.000
 LY4      HBJ2   CBJ    HBJ1    109.470    3.000
 LY4      NBH    CBI    HBI3    109.470    3.000
 LY4      NBH    CBI    HBI2    109.470    3.000
 LY4      NBH    CBI    HBI1    109.470    3.000
 LY4      HBI3   CBI    HBI2    109.470    3.000
 LY4      HBI3   CBI    HBI1    109.470    3.000
 LY4      HBI2   CBI    HBI1    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
 LY4      CONST_1  OAB    CAC    NAD    CAE      180.000    0.000   0
 LY4      CONST_2  CAC    NAD    CAE    OAF      180.000    0.000   0
 LY4      CONST_3  OAB    CAC    CAG    CAL        0.000    0.000   0
 LY4      CONST_4  CAC    CAG    CAH    CAM      180.000    0.000   0
 LY4      CONST_5  CAG    CAH    CAE    NAD      -30.000    0.000   0
 LY4      CONST_6  CAG    CAH    CAM    CAN      180.000    0.000   0
 LY4      CONST_7  CAH    CAM    CAV    NAW      180.000    0.000   0
 LY4      CONST_8  CAH    CAM    CAN    CAX      180.000    0.000   0
 LY4      CONST_9  CAM    CAN    CAO    CAP      180.000    0.000   0
 LY4      CONST_10 CAN    CAO    CAP    CAZ        0.000    0.000   0
 LY4      CONST_11 CAO    CAP    CAZ    CAY        0.000    0.000   0
 LY4      CONST_12 CAP    CAZ    CAY    CAX        0.000    0.000   0
 LY4      CONST_13 CAM    CAN    CAX    NAW        0.000    0.000   0
 LY4      CONST_14 CAN    CAX    CAY    CAZ        0.000    0.000   0
 LY4      CONST_15 CAN    CAX    NAW    CBB      180.000    0.000   0
 LY4      CONST_16 CAX    NAW    CAV    CAM        0.000    0.000   0
 LY4      var_1    CAX    NAW    CBB    CBD     -166.220   20.000   1
 LY4      CONST_17 CAC    CAG    CAL    CAK        0.000    0.000   0
 LY4      CONST_18 CAG    CAL    CAU    NAT      180.000    0.000   0
 LY4      CONST_19 CAG    CAL    CAK    CAS      180.000    0.000   0
 LY4      CONST_20 CAL    CAK    CAJ    CAI      180.000    0.000   0
 LY4      CONST_21 CAL    CAK    CAS    NAT        0.000    0.000   0
 LY4      CONST_22 CAK    CAS    CAR    CAQ        0.000    0.000   0
 LY4      CONST_23 CAS    CAR    CAQ    CAI        0.000    0.000   0
 LY4      CONST_24 CAR    CAQ    CAI    CAJ        0.000    0.000   0
 LY4      CONST_25 CAQ    CAI    CAJ    CAK        0.000    0.000   0
 LY4      CONST_26 CAK    CAS    NAT    CBA      180.000    0.000   0
 LY4      CONST_27 CAS    NAT    CAU    CAL        0.000    0.000   0
 LY4      var_2    CAS    NAT    CBA    CBC     -162.380   20.000   1
 LY4      var_3    NAT    CBA    CBC    OBE      -51.077   20.000   3
 LY4      var_4    CBA    CBC    OBE    CBF     -178.432   20.000   1
 LY4      var_5    CBC    OBE    CBF    CBG      -78.710   20.000   1
 LY4      var_6    OBE    CBF    CBD    CBB      108.242   20.000   3
 LY4      var_7    CBF    CBD    CBB    NAW      -74.400   20.000   3
 LY4      var_8    OBE    CBF    CBG    NBH       63.906   20.000   3
 LY4      var_9    CBF    CBG    NBH    CBI       76.258   20.000   1
 LY4      var_10   CBG    NBH    CBJ    HBJ1     -59.964   20.000   1
 LY4      var_11   CBG    NBH    CBI    HBI1     -66.186   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
 LY4      chir_01  CBF    CBD    OBE    CBG       positiv
 LY4      chir_02  NBH    CBG    CBI    CBJ       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
 LY4      plan-1    NAW       0.020
 LY4      plan-1    CBB       0.020
 LY4      plan-1    CAV       0.020
 LY4      plan-1    CAX       0.020
 LY4      plan-1    CAM       0.020
 LY4      plan-1    HAV       0.020
 LY4      plan-1    CAY       0.020
 LY4      plan-1    CAN       0.020
 LY4      plan-1    CAZ       0.020
 LY4      plan-1    CAP       0.020
 LY4      plan-1    CAO       0.020
 LY4      plan-1    HAY       0.020
 LY4      plan-1    HAZ       0.020
 LY4      plan-1    HAP       0.020
 LY4      plan-1    HAO       0.020
 LY4      plan-1    CAH       0.020
 LY4      plan-2    CAH       0.020
 LY4      plan-2    CAM       0.020
 LY4      plan-2    CAE       0.020
 LY4      plan-2    CAG       0.020
 LY4      plan-2    NAD       0.020
 LY4      plan-2    CAC       0.020
 LY4      plan-2    OAF       0.020
 LY4      plan-2    HAD       0.020
 LY4      plan-2    OAB       0.020
 LY4      plan-2    CAL       0.020
 LY4      plan-3    CAL       0.020
 LY4      plan-3    CAG       0.020
 LY4      plan-3    CAU       0.020
 LY4      plan-3    CAK       0.020
 LY4      plan-3    NAT       0.020
 LY4      plan-3    HAU       0.020
 LY4      plan-3    CAJ       0.020
 LY4      plan-3    CAS       0.020
 LY4      plan-3    CAI       0.020
 LY4      plan-3    CAQ       0.020
 LY4      plan-3    CAR       0.020
 LY4      plan-3    HAJ       0.020
 LY4      plan-3    HAI       0.020
 LY4      plan-3    HAQ       0.020
 LY4      plan-3    HAR       0.020
 LY4      plan-3    CBA       0.020
# ------------------------------------------------------
