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
AM8      AM8 'N-(3-chlorophenyl)-N-methyl-2-oxo-3-' non-polymer        53  31 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_AM8
#
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
 AM8           CLBM   CL   CL        0.000      0.000    0.000    0.000
 AM8           CBA    C    CR6       0.000     -1.000    1.397    0.248
 AM8           CAZ    C    CR16      0.000     -2.140    1.302    1.023
 AM8           HAZ    H    H         0.000     -2.410    0.355    1.476
 AM8           CBB    C    CR16      0.000     -0.655    2.606   -0.332
 AM8           HBB    H    H         0.000      0.238    2.679   -0.939
 AM8           CBC    C    CR16      0.000     -1.450    3.721   -0.136
 AM8           HBC    H    H         0.000     -1.175    4.667   -0.587
 AM8           CBD    C    CR16      0.000     -2.593    3.630    0.634
 AM8           HBD    H    H         0.000     -3.219    4.502    0.780
 AM8           CAY    C    CR6       0.000     -2.939    2.421    1.222
 AM8           NAX    N    N         0.000     -4.092    2.327    2.004
 AM8           CBE    C    CH3       0.000     -4.615    3.516    2.682
 AM8           HBE3   H    H         0.000     -5.107    3.228    3.575
 AM8           HBE2   H    H         0.000     -3.816    4.172    2.917
 AM8           HBE1   H    H         0.000     -5.303    4.013    2.047
 AM8           SAU    S    ST        0.000     -4.867    0.872    2.167
 AM8           OAV    O    OS        0.000     -5.968    1.100    3.036
 AM8           OAW    O    OS        0.000     -3.858   -0.093    2.429
 AM8           CAT    C    CR6       0.000     -5.549    0.466    0.595
 AM8           CAM    C    CR16      0.000     -4.969   -0.512   -0.152
 AM8           HAM    H    H         0.000     -4.094   -1.036    0.212
 AM8           CAS    C    CR16      0.000     -6.678    1.147    0.143
 AM8           HAS    H    H         0.000     -7.111    1.914    0.773
 AM8           CAR    C    CR16      0.000     -7.267    0.880   -1.078
 AM8           HAR    H    H         0.000     -8.141    1.439   -1.388
 AM8           CAQ    C    CR56      0.000     -6.742   -0.102   -1.912
 AM8           CAL    C    CR56      0.000     -5.546   -0.844   -1.454
 AM8           NAP    N    NRD5      0.000     -7.094   -0.566   -3.125
 AM8           CAN    C    CR5       0.000     -6.267   -1.531   -3.521
 AM8           OAO    O    O         0.000     -6.332   -2.137   -4.572
 AM8           CAK    C    CR5       0.000     -5.237   -1.742   -2.446
 AM8           CAJ    C    CH2       0.000     -4.101   -2.732   -2.457
 AM8           HAJ1   H    H         0.000     -3.299   -2.371   -1.810
 AM8           HAJ2   H    H         0.000     -3.724   -2.840   -3.477
 AM8           CAI    C    CR5       0.000     -4.590   -4.066   -1.957
 AM8           CAD    C    CR5       0.000     -5.194   -5.016   -2.700
 AM8           CAE    C    CH3       0.000     -5.502   -4.935   -4.173
 AM8           HAE3   H    H         0.000     -4.779   -4.327   -4.652
 AM8           HAE2   H    H         0.000     -5.479   -5.907   -4.592
 AM8           HAE1   H    H         0.000     -6.464   -4.513   -4.310
 AM8           NAH    N    NR15      0.000     -4.500   -4.521   -0.674
 AM8           HNAH   H    H         0.000     -4.081   -4.003    0.124
 AM8           CAF    C    CR5       0.000     -5.052   -5.766   -0.612
 AM8           CAG    C    CH3       0.000     -5.158   -6.625    0.622
 AM8           HAG3   H    H         0.000     -5.241   -6.006    1.477
 AM8           HAG2   H    H         0.000     -6.014   -7.244    0.550
 AM8           HAG1   H    H         0.000     -4.292   -7.229    0.707
 AM8           CAC    C    CR5       0.000     -5.484   -6.098   -1.845
 AM8           CAA    C    CH3       0.000     -6.160   -7.387   -2.237
 AM8           HAA3   H    H         0.000     -6.699   -7.769   -1.409
 AM8           HAA2   H    H         0.000     -6.826   -7.206   -3.040
 AM8           HAA1   H    H         0.000     -5.428   -8.092   -2.537
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
 AM8      CLBM   n/a    CBA    START
 AM8      CBA    CLBM   CBB    .
 AM8      CAZ    CBA    HAZ    .
 AM8      HAZ    CAZ    .      .
 AM8      CBB    CBA    CBC    .
 AM8      HBB    CBB    .      .
 AM8      CBC    CBB    CBD    .
 AM8      HBC    CBC    .      .
 AM8      CBD    CBC    CAY    .
 AM8      HBD    CBD    .      .
 AM8      CAY    CBD    NAX    .
 AM8      NAX    CAY    SAU    .
 AM8      CBE    NAX    HBE1   .
 AM8      HBE3   CBE    .      .
 AM8      HBE2   CBE    .      .
 AM8      HBE1   CBE    .      .
 AM8      SAU    NAX    CAT    .
 AM8      OAV    SAU    .      .
 AM8      OAW    SAU    .      .
 AM8      CAT    SAU    CAS    .
 AM8      CAM    CAT    HAM    .
 AM8      HAM    CAM    .      .
 AM8      CAS    CAT    CAR    .
 AM8      HAS    CAS    .      .
 AM8      CAR    CAS    CAQ    .
 AM8      HAR    CAR    .      .
 AM8      CAQ    CAR    NAP    .
 AM8      CAL    CAQ    .      .
 AM8      NAP    CAQ    CAN    .
 AM8      CAN    NAP    CAK    .
 AM8      OAO    CAN    .      .
 AM8      CAK    CAN    CAJ    .
 AM8      CAJ    CAK    CAI    .
 AM8      HAJ1   CAJ    .      .
 AM8      HAJ2   CAJ    .      .
 AM8      CAI    CAJ    NAH    .
 AM8      CAD    CAI    CAE    .
 AM8      CAE    CAD    HAE1   .
 AM8      HAE3   CAE    .      .
 AM8      HAE2   CAE    .      .
 AM8      HAE1   CAE    .      .
 AM8      NAH    CAI    CAF    .
 AM8      HNAH   NAH    .      .
 AM8      CAF    NAH    CAC    .
 AM8      CAG    CAF    HAG1   .
 AM8      HAG3   CAG    .      .
 AM8      HAG2   CAG    .      .
 AM8      HAG1   CAG    .      .
 AM8      CAC    CAF    CAA    .
 AM8      CAA    CAC    HAA1   .
 AM8      HAA3   CAA    .      .
 AM8      HAA2   CAA    .      .
 AM8      HAA1   CAA    .      END
 AM8      CAC    CAD    .    ADD
 AM8      CAK    CAL    .    ADD
 AM8      CAL    CAM    .    ADD
 AM8      CAY    CAZ    .    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
 AM8      CBE    NAX       single      1.455    0.020
 AM8      NAX    CAY       single      1.400    0.020
 AM8      SAU    NAX       single      1.520    0.020
 AM8      OAW    SAU       double      1.436    0.020
 AM8      CAY    CAZ       double      1.390    0.020
 AM8      CAZ    CBA       single      1.390    0.020
 AM8      CBA    CLBM      single      1.795    0.020
 AM8      CAY    CBD       single      1.390    0.020
 AM8      CAR    CAS       double      1.390    0.020
 AM8      CAS    CAT       single      1.390    0.020
 AM8      CBB    CBA       double      1.390    0.020
 AM8      CAT    SAU       single      1.595    0.020
 AM8      OAV    SAU       double      1.436    0.020
 AM8      CAQ    CAR       single      1.390    0.020
 AM8      CAM    CAT       double      1.390    0.020
 AM8      CBD    CBC       double      1.390    0.020
 AM8      CBC    CBB       single      1.390    0.020
 AM8      NAP    CAQ       double      1.350    0.020
 AM8      CAL    CAQ       single      1.490    0.020
 AM8      CAL    CAM       single      1.390    0.020
 AM8      CAN    NAP       single      1.350    0.020
 AM8      CAK    CAL       double      1.490    0.020
 AM8      CAK    CAN       single      1.490    0.020
 AM8      OAO    CAN       double      1.285    0.020
 AM8      CAJ    CAK       single      1.510    0.020
 AM8      CAI    CAJ       single      1.510    0.020
 AM8      NAH    CAI       single      1.340    0.020
 AM8      CAD    CAI       double      1.490    0.020
 AM8      CAE    CAD       single      1.506    0.020
 AM8      CAF    NAH       single      1.340    0.020
 AM8      CAC    CAD       single      1.490    0.020
 AM8      CAC    CAF       double      1.490    0.020
 AM8      CAG    CAF       single      1.506    0.020
 AM8      CAA    CAC       single      1.506    0.020
 AM8      HAA1   CAA       single      1.059    0.020
 AM8      HAA2   CAA       single      1.059    0.020
 AM8      HAA3   CAA       single      1.059    0.020
 AM8      HAE1   CAE       single      1.059    0.020
 AM8      HAE2   CAE       single      1.059    0.020
 AM8      HAE3   CAE       single      1.059    0.020
 AM8      HAG1   CAG       single      1.059    0.020
 AM8      HAG2   CAG       single      1.059    0.020
 AM8      HAG3   CAG       single      1.059    0.020
 AM8      HNAH   NAH       single      1.040    0.020
 AM8      HAJ1   CAJ       single      1.092    0.020
 AM8      HAJ2   CAJ       single      1.092    0.020
 AM8      HAM    CAM       single      1.083    0.020
 AM8      HAR    CAR       single      1.083    0.020
 AM8      HAS    CAS       single      1.083    0.020
 AM8      HBE1   CBE       single      1.059    0.020
 AM8      HBE2   CBE       single      1.059    0.020
 AM8      HBE3   CBE       single      1.059    0.020
 AM8      HAZ    CAZ       single      1.083    0.020
 AM8      HBB    CBB       single      1.083    0.020
 AM8      HBC    CBC       single      1.083    0.020
 AM8      HBD    CBD       single      1.083    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
 AM8      CLBM   CBA    CAZ     120.000    3.000
 AM8      CLBM   CBA    CBB     120.000    3.000
 AM8      CAZ    CBA    CBB     120.000    3.000
 AM8      CBA    CAZ    HAZ     120.000    3.000
 AM8      CBA    CAZ    CAY     120.000    3.000
 AM8      HAZ    CAZ    CAY     120.000    3.000
 AM8      CBA    CBB    HBB     120.000    3.000
 AM8      CBA    CBB    CBC     120.000    3.000
 AM8      HBB    CBB    CBC     120.000    3.000
 AM8      CBB    CBC    HBC     120.000    3.000
 AM8      CBB    CBC    CBD     120.000    3.000
 AM8      HBC    CBC    CBD     120.000    3.000
 AM8      CBC    CBD    HBD     120.000    3.000
 AM8      CBC    CBD    CAY     120.000    3.000
 AM8      HBD    CBD    CAY     120.000    3.000
 AM8      CBD    CAY    NAX     120.000    3.000
 AM8      CBD    CAY    CAZ     120.000    3.000
 AM8      NAX    CAY    CAZ     120.000    3.000
 AM8      CAY    NAX    CBE     120.000    3.000
 AM8      CAY    NAX    SAU     120.000    3.000
 AM8      CBE    NAX    SAU     120.000    3.000
 AM8      NAX    CBE    HBE3    109.470    3.000
 AM8      NAX    CBE    HBE2    109.470    3.000
 AM8      NAX    CBE    HBE1    109.470    3.000
 AM8      HBE3   CBE    HBE2    109.470    3.000
 AM8      HBE3   CBE    HBE1    109.470    3.000
 AM8      HBE2   CBE    HBE1    109.470    3.000
 AM8      NAX    SAU    OAV     109.500    3.000
 AM8      NAX    SAU    OAW     109.500    3.000
 AM8      NAX    SAU    CAT     109.500    3.000
 AM8      OAV    SAU    OAW     109.500    3.000
 AM8      OAV    SAU    CAT     109.500    3.000
 AM8      OAW    SAU    CAT     109.500    3.000
 AM8      SAU    CAT    CAM     120.000    3.000
 AM8      SAU    CAT    CAS     120.000    3.000
 AM8      CAM    CAT    CAS     120.000    3.000
 AM8      CAT    CAM    HAM     120.000    3.000
 AM8      CAT    CAM    CAL     120.000    3.000
 AM8      HAM    CAM    CAL     120.000    3.000
 AM8      CAT    CAS    HAS     120.000    3.000
 AM8      CAT    CAS    CAR     120.000    3.000
 AM8      HAS    CAS    CAR     120.000    3.000
 AM8      CAS    CAR    HAR     120.000    3.000
 AM8      CAS    CAR    CAQ     120.000    3.000
 AM8      HAR    CAR    CAQ     120.000    3.000
 AM8      CAR    CAQ    CAL     120.000    3.000
 AM8      CAR    CAQ    NAP     132.000    3.000
 AM8      CAL    CAQ    NAP     108.000    3.000
 AM8      CAQ    CAL    CAK     108.000    3.000
 AM8      CAQ    CAL    CAM     120.000    3.000
 AM8      CAK    CAL    CAM     126.000    3.000
 AM8      CAQ    NAP    CAN     108.000    3.000
 AM8      NAP    CAN    OAO     108.000    3.000
 AM8      NAP    CAN    CAK     108.000    3.000
 AM8      OAO    CAN    CAK     108.000    3.000
 AM8      CAN    CAK    CAJ     126.000    3.000
 AM8      CAN    CAK    CAL     108.000    3.000
 AM8      CAJ    CAK    CAL     126.000    3.000
 AM8      CAK    CAJ    HAJ1    109.470    3.000
 AM8      CAK    CAJ    HAJ2    109.470    3.000
 AM8      CAK    CAJ    CAI     109.500    3.000
 AM8      HAJ1   CAJ    HAJ2    107.900    3.000
 AM8      HAJ1   CAJ    CAI     109.470    3.000
 AM8      HAJ2   CAJ    CAI     109.470    3.000
 AM8      CAJ    CAI    CAD     126.000    3.000
 AM8      CAJ    CAI    NAH     126.000    3.000
 AM8      CAD    CAI    NAH     108.000    3.000
 AM8      CAI    CAD    CAE     126.000    3.000
 AM8      CAI    CAD    CAC     108.000    3.000
 AM8      CAE    CAD    CAC     126.000    3.000
 AM8      CAD    CAE    HAE3    109.470    3.000
 AM8      CAD    CAE    HAE2    109.470    3.000
 AM8      CAD    CAE    HAE1    109.470    3.000
 AM8      HAE3   CAE    HAE2    109.470    3.000
 AM8      HAE3   CAE    HAE1    109.470    3.000
 AM8      HAE2   CAE    HAE1    109.470    3.000
 AM8      CAI    NAH    HNAH    126.000    3.000
 AM8      CAI    NAH    CAF     108.000    3.000
 AM8      HNAH   NAH    CAF     126.000    3.000
 AM8      NAH    CAF    CAG     126.000    3.000
 AM8      NAH    CAF    CAC     108.000    3.000
 AM8      CAG    CAF    CAC     126.000    3.000
 AM8      CAF    CAG    HAG3    109.470    3.000
 AM8      CAF    CAG    HAG2    109.470    3.000
 AM8      CAF    CAG    HAG1    109.470    3.000
 AM8      HAG3   CAG    HAG2    109.470    3.000
 AM8      HAG3   CAG    HAG1    109.470    3.000
 AM8      HAG2   CAG    HAG1    109.470    3.000
 AM8      CAF    CAC    CAA     126.000    3.000
 AM8      CAF    CAC    CAD     108.000    3.000
 AM8      CAA    CAC    CAD     126.000    3.000
 AM8      CAC    CAA    HAA3    109.470    3.000
 AM8      CAC    CAA    HAA2    109.470    3.000
 AM8      CAC    CAA    HAA1    109.470    3.000
 AM8      HAA3   CAA    HAA2    109.470    3.000
 AM8      HAA3   CAA    HAA1    109.470    3.000
 AM8      HAA2   CAA    HAA1    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
 AM8      CONST_1  CLBM   CBA    CAZ    CAY      180.000    0.000   0
 AM8      CONST_2  CLBM   CBA    CBB    CBC      180.000    0.000   0
 AM8      CONST_3  CBA    CBB    CBC    CBD        0.000    0.000   0
 AM8      CONST_4  CBB    CBC    CBD    CAY        0.000    0.000   0
 AM8      CONST_5  CBC    CBD    CAY    NAX      180.000    0.000   0
 AM8      CONST_6  CBD    CAY    CAZ    CBA        0.000    0.000   0
 AM8      var_1    CBD    CAY    NAX    SAU      153.873   20.000   1
 AM8      var_2    CAY    NAX    CBE    HBE1      90.050   20.000   1
 AM8      var_3    CAY    NAX    SAU    CAT      -67.752   20.000   1
 AM8      var_4    NAX    SAU    CAT    CAS      -74.176   20.000   1
 AM8      CONST_7  SAU    CAT    CAM    CAL      180.000    0.000   0
 AM8      CONST_8  SAU    CAT    CAS    CAR      180.000    0.000   0
 AM8      CONST_9  CAT    CAS    CAR    CAQ        0.000    0.000   0
 AM8      CONST_10 CAS    CAR    CAQ    NAP      180.000    0.000   0
 AM8      CONST_11 CAR    CAQ    CAL    CAK      180.000    0.000   0
 AM8      CONST_12 CAQ    CAL    CAM    CAT        0.000    0.000   0
 AM8      CONST_13 CAR    CAQ    NAP    CAN      180.000    0.000   0
 AM8      CONST_14 CAQ    NAP    CAN    CAK        0.000    0.000   0
 AM8      CONST_15 NAP    CAN    CAK    CAJ      180.000    0.000   0
 AM8      CONST_16 CAN    CAK    CAL    CAQ        0.000    0.000   0
 AM8      var_5    CAN    CAK    CAJ    CAI      -85.287   20.000   2
 AM8      var_6    CAK    CAJ    CAI    NAH      -94.958   20.000   2
 AM8      CONST_17 CAJ    CAI    CAD    CAE        0.000    0.000   0
 AM8      var_7    CAI    CAD    CAE    HAE1     -90.020   20.000   1
 AM8      CONST_18 CAJ    CAI    NAH    CAF      180.000    0.000   0
 AM8      CONST_19 CAI    NAH    CAF    CAC        0.000    0.000   0
 AM8      var_8    NAH    CAF    CAG    HAG1     -89.921   20.000   1
 AM8      CONST_20 NAH    CAF    CAC    CAA      180.000    0.000   0
 AM8      CONST_21 CAF    CAC    CAD    CAI        0.000    0.000   0
 AM8      var_9    CAF    CAC    CAA    HAA1     -90.326   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
 AM8      chir_01  SAU    CAT    OAV    OAW       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
 AM8      plan-1    CAC       0.020
 AM8      plan-1    CAA       0.020
 AM8      plan-1    CAD       0.020
 AM8      plan-1    CAF       0.020
 AM8      plan-1    NAH       0.020
 AM8      plan-1    CAI       0.020
 AM8      plan-1    CAE       0.020
 AM8      plan-1    CAG       0.020
 AM8      plan-1    HNAH      0.020
 AM8      plan-1    CAJ       0.020
 AM8      plan-2    CAK       0.020
 AM8      plan-2    CAJ       0.020
 AM8      plan-2    CAL       0.020
 AM8      plan-2    CAN       0.020
 AM8      plan-2    NAP       0.020
 AM8      plan-2    CAM       0.020
 AM8      plan-2    CAQ       0.020
 AM8      plan-2    CAR       0.020
 AM8      plan-2    CAS       0.020
 AM8      plan-2    CAT       0.020
 AM8      plan-2    HAM       0.020
 AM8      plan-2    OAO       0.020
 AM8      plan-2    HAR       0.020
 AM8      plan-2    HAS       0.020
 AM8      plan-2    SAU       0.020
 AM8      plan-3    NAX       0.020
 AM8      plan-3    SAU       0.020
 AM8      plan-3    CBE       0.020
 AM8      plan-3    CAY       0.020
 AM8      plan-4    CAY       0.020
 AM8      plan-4    NAX       0.020
 AM8      plan-4    CAZ       0.020
 AM8      plan-4    CBD       0.020
 AM8      plan-4    CBA       0.020
 AM8      plan-4    CBB       0.020
 AM8      plan-4    CBC       0.020
 AM8      plan-4    HAZ       0.020
 AM8      plan-4    CLBM      0.020
 AM8      plan-4    HBB       0.020
 AM8      plan-4    HBC       0.020
 AM8      plan-4    HBD       0.020
# ------------------------------------------------------
