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
DRN      DRN 'BISINDOLYLMALEIMIDE IX              ' non-polymer        56  33 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DRN
#
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
 DRN           OAX    O    O         0.000      0.000    0.000    0.000
 DRN           CAV    C    CR5       0.000      0.039    0.509    1.129
 DRN           NAU    N    NR15      0.000     -0.751    0.144    2.142
 DRN           HAU    H    H         0.000     -1.486   -0.591    2.106
 DRN           CAT    C    CR5       0.000     -0.435    0.883    3.209
 DRN           OAZ    O    O         0.000     -0.997    0.791    4.299
 DRN           CAJ    C    CR5       0.000      0.887    1.536    1.552
 DRN           CAI    C    CR5       0.000      0.581    1.788    2.895
 DRN           CAG    C    CR5       0.000      1.136    2.717    3.809
 DRN           CAW    C    CR15      0.000      1.300    2.531    5.129
 DRN           HAW    H    H         0.000      1.027    1.639    5.678
 DRN           CAD    C    CR56      0.000      1.604    4.009    3.512
 DRN           CAC    C    CR16      0.000      1.683    4.776    2.344
 DRN           HAC    H    H         0.000      1.324    4.369    1.406
 DRN           CAB    C    CR16      0.000      2.220    6.062    2.379
 DRN           HAB    H    H         0.000      2.289    6.649    1.471
 DRN           CAA    C    CR16      0.000      2.669    6.591    3.594
 DRN           HAA    H    H         0.000      3.084    7.591    3.625
 DRN           CAF    C    CR16      0.000      2.587    5.842    4.764
 DRN           HAF    H    H         0.000      2.931    6.256    5.703
 DRN           CAE    C    CR56      0.000      2.055    4.549    4.716
 DRN           NAH    N    NR5       0.000      1.855    3.625    5.655
 DRN           CAY    C    CH3       0.000      2.195    3.803    7.110
 DRN           HAY3   H    H         0.000      1.304    3.858    7.681
 DRN           HAY2   H    H         0.000      2.775    2.980    7.445
 DRN           HAY1   H    H         0.000      2.750    4.697    7.240
 DRN           CAK    C    CR5       0.000      1.847    2.186    0.768
 DRN           CAL    C    CR15      0.000      3.109    2.450    1.085
 DRN           HAL    H    H         0.000      3.604    2.179    2.010
 DRN           NAO    N    NR5       0.000      3.655    3.103    0.069
 DRN           CAN    C    CR56      0.000      2.790    3.267   -0.933
 DRN           CAS    C    CR16      0.000      2.852    3.865   -2.185
 DRN           HAS    H    H         0.000      3.778    4.323   -2.513
 DRN           CAR    C    CR16      0.000      1.742    3.885   -3.026
 DRN           HAR    H    H         0.000      1.807    4.353   -4.001
 DRN           CAQ    C    CR16      0.000      0.553    3.304   -2.611
 DRN           HAQ    H    H         0.000     -0.313    3.312   -3.261
 DRN           CAP    C    CR16      0.000      0.480    2.709   -1.354
 DRN           HAP    H    H         0.000     -0.448    2.257   -1.026
 DRN           CAM    C    CR56      0.000      1.597    2.692   -0.513
 DRN           CA0    C    CH2       0.000      5.060    3.526    0.080
 DRN           HA01   H    H         0.000      5.408    3.603   -0.953
 DRN           HA02   H    H         0.000      5.647    2.768    0.604
 DRN           CBF    C    CH2       0.000      5.225    4.858    0.769
 DRN           HBF1   H    H         0.000      4.417    4.997    1.491
 DRN           HBF2   H    H         0.000      5.190    5.658    0.027
 DRN           CBE    C    CH2       0.000      6.561    4.891    1.490
 DRN           HBE1   H    H         0.000      7.353    4.798    0.743
 DRN           HBE2   H    H         0.000      6.602    4.037    2.169
 DRN           SAT    S    S2        0.000      6.793    6.440    2.439
 DRN           CBD    C    C         0.000      8.042    7.202    1.436
 DRN           NAB    N    NH2       0.000      7.981    7.141    0.098
 DRN           HAB2   H    H         0.000      7.216    6.656   -0.354
 DRN           HAB1   H    H         0.000      8.698    7.579   -0.465
 DRN           NBC    N    N         0.000      9.055    7.845    2.029
 DRN           HBC    H    H         0.000      9.122    7.904    2.993
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
 DRN      OAX    n/a    CAV    START
 DRN      CAV    OAX    CAJ    .
 DRN      NAU    CAV    CAT    .
 DRN      HAU    NAU    .      .
 DRN      CAT    NAU    OAZ    .
 DRN      OAZ    CAT    .      .
 DRN      CAJ    CAV    CAK    .
 DRN      CAI    CAJ    CAG    .
 DRN      CAG    CAI    CAD    .
 DRN      CAW    CAG    HAW    .
 DRN      HAW    CAW    .      .
 DRN      CAD    CAG    CAE    .
 DRN      CAC    CAD    CAB    .
 DRN      HAC    CAC    .      .
 DRN      CAB    CAC    CAA    .
 DRN      HAB    CAB    .      .
 DRN      CAA    CAB    CAF    .
 DRN      HAA    CAA    .      .
 DRN      CAF    CAA    HAF    .
 DRN      HAF    CAF    .      .
 DRN      CAE    CAD    NAH    .
 DRN      NAH    CAE    CAY    .
 DRN      CAY    NAH    HAY1   .
 DRN      HAY3   CAY    .      .
 DRN      HAY2   CAY    .      .
 DRN      HAY1   CAY    .      .
 DRN      CAK    CAJ    CAL    .
 DRN      CAL    CAK    NAO    .
 DRN      HAL    CAL    .      .
 DRN      NAO    CAL    CA0    .
 DRN      CAN    NAO    CAM    .
 DRN      CAS    CAN    CAR    .
 DRN      HAS    CAS    .      .
 DRN      CAR    CAS    CAQ    .
 DRN      HAR    CAR    .      .
 DRN      CAQ    CAR    CAP    .
 DRN      HAQ    CAQ    .      .
 DRN      CAP    CAQ    HAP    .
 DRN      HAP    CAP    .      .
 DRN      CAM    CAN    .      .
 DRN      CA0    NAO    CBF    .
 DRN      HA01   CA0    .      .
 DRN      HA02   CA0    .      .
 DRN      CBF    CA0    CBE    .
 DRN      HBF1   CBF    .      .
 DRN      HBF2   CBF    .      .
 DRN      CBE    CBF    SAT    .
 DRN      HBE1   CBE    .      .
 DRN      HBE2   CBE    .      .
 DRN      SAT    CBE    CBD    .
 DRN      CBD    SAT    NBC    .
 DRN      NAB    CBD    HAB1   .
 DRN      HAB2   NAB    .      .
 DRN      HAB1   NAB    .      .
 DRN      NBC    CBD    HBC    .
 DRN      HBC    NBC    .      END
 DRN      NAH    CAW    .    ADD
 DRN      CAE    CAF    .    ADD
 DRN      CAI    CAT    .    ADD
 DRN      CAK    CAM    .    ADD
 DRN      CAM    CAP    .    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
 DRN      NBC    CBD       double      1.260    0.020
 DRN      CBD    SAT       single      1.665    0.020
 DRN      NAB    CBD       single      1.332    0.020
 DRN      CBE    CBF       single      1.524    0.020
 DRN      CBF    CA0       single      1.524    0.020
 DRN      SAT    CBE       single      1.762    0.020
 DRN      CAY    NAH       single      1.485    0.020
 DRN      NAH    CAW       single      1.337    0.020
 DRN      NAH    CAE       single      1.337    0.020
 DRN      CAW    CAG       double      1.387    0.020
 DRN      CAE    CAF       single      1.390    0.020
 DRN      CAE    CAD       double      1.490    0.020
 DRN      CAF    CAA       double      1.390    0.020
 DRN      CAA    CAB       single      1.390    0.020
 DRN      CAB    CAC       double      1.390    0.020
 DRN      CAC    CAD       single      1.390    0.020
 DRN      CAD    CAG       single      1.490    0.020
 DRN      CAG    CAI       single      1.490    0.020
 DRN      CAI    CAT       single      1.490    0.020
 DRN      CAI    CAJ       double      1.490    0.020
 DRN      OAZ    CAT       double      1.285    0.020
 DRN      CAT    NAU       single      1.340    0.020
 DRN      NAU    CAV       single      1.340    0.020
 DRN      CAV    OAX       double      1.285    0.020
 DRN      CAJ    CAV       single      1.490    0.020
 DRN      CAK    CAJ       single      1.490    0.020
 DRN      CAK    CAM       single      1.490    0.020
 DRN      CAL    CAK       double      1.387    0.020
 DRN      CAM    CAP       single      1.390    0.020
 DRN      CAM    CAN       double      1.490    0.020
 DRN      CAP    CAQ       double      1.390    0.020
 DRN      CAQ    CAR       single      1.390    0.020
 DRN      CAR    CAS       double      1.390    0.020
 DRN      CAS    CAN       single      1.390    0.020
 DRN      CAN    NAO       single      1.337    0.020
 DRN      NAO    CAL       single      1.337    0.020
 DRN      CA0    NAO       single      1.462    0.020
 DRN      HBC    NBC       single      0.954    0.020
 DRN      HAB1   NAB       single      1.010    0.020
 DRN      HAB2   NAB       single      1.010    0.020
 DRN      HBF1   CBF       single      1.092    0.020
 DRN      HBF2   CBF       single      1.092    0.020
 DRN      HBE1   CBE       single      1.092    0.020
 DRN      HBE2   CBE       single      1.092    0.020
 DRN      HA01   CA0       single      1.092    0.020
 DRN      HA02   CA0       single      1.092    0.020
 DRN      HAY1   CAY       single      1.059    0.020
 DRN      HAY2   CAY       single      1.059    0.020
 DRN      HAY3   CAY       single      1.059    0.020
 DRN      HAW    CAW       single      1.083    0.020
 DRN      HAF    CAF       single      1.083    0.020
 DRN      HAA    CAA       single      1.083    0.020
 DRN      HAB    CAB       single      1.083    0.020
 DRN      HAC    CAC       single      1.083    0.020
 DRN      HAU    NAU       single      1.040    0.020
 DRN      HAL    CAL       single      1.083    0.020
 DRN      HAP    CAP       single      1.083    0.020
 DRN      HAQ    CAQ       single      1.083    0.020
 DRN      HAR    CAR       single      1.083    0.020
 DRN      HAS    CAS       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
 DRN      OAX    CAV    NAU     108.000    3.000
 DRN      OAX    CAV    CAJ     108.000    3.000
 DRN      NAU    CAV    CAJ     108.000    3.000
 DRN      CAV    NAU    HAU     126.000    3.000
 DRN      CAV    NAU    CAT     108.000    3.000
 DRN      HAU    NAU    CAT     126.000    3.000
 DRN      NAU    CAT    OAZ     108.000    3.000
 DRN      NAU    CAT    CAI     108.000    3.000
 DRN      OAZ    CAT    CAI     108.000    3.000
 DRN      CAV    CAJ    CAI     108.000    3.000
 DRN      CAV    CAJ    CAK     108.000    3.000
 DRN      CAI    CAJ    CAK     108.000    3.000
 DRN      CAJ    CAI    CAG     108.000    3.000
 DRN      CAJ    CAI    CAT     108.000    3.000
 DRN      CAG    CAI    CAT     108.000    3.000
 DRN      CAI    CAG    CAW     108.000    3.000
 DRN      CAI    CAG    CAD     108.000    3.000
 DRN      CAW    CAG    CAD     108.000    3.000
 DRN      CAG    CAW    HAW     126.000    3.000
 DRN      CAG    CAW    NAH     108.000    3.000
 DRN      HAW    CAW    NAH     126.000    3.000
 DRN      CAG    CAD    CAC     126.000    3.000
 DRN      CAG    CAD    CAE     108.000    3.000
 DRN      CAC    CAD    CAE     120.000    3.000
 DRN      CAD    CAC    HAC     120.000    3.000
 DRN      CAD    CAC    CAB     120.000    3.000
 DRN      HAC    CAC    CAB     120.000    3.000
 DRN      CAC    CAB    HAB     120.000    3.000
 DRN      CAC    CAB    CAA     120.000    3.000
 DRN      HAB    CAB    CAA     120.000    3.000
 DRN      CAB    CAA    HAA     120.000    3.000
 DRN      CAB    CAA    CAF     120.000    3.000
 DRN      HAA    CAA    CAF     120.000    3.000
 DRN      CAA    CAF    HAF     120.000    3.000
 DRN      CAA    CAF    CAE     120.000    3.000
 DRN      HAF    CAF    CAE     120.000    3.000
 DRN      CAD    CAE    NAH     108.000    3.000
 DRN      CAD    CAE    CAF     120.000    3.000
 DRN      NAH    CAE    CAF     132.000    3.000
 DRN      CAE    NAH    CAY     126.000    3.000
 DRN      CAE    NAH    CAW     108.000    3.000
 DRN      CAY    NAH    CAW     126.000    3.000
 DRN      NAH    CAY    HAY3    109.470    3.000
 DRN      NAH    CAY    HAY2    109.470    3.000
 DRN      NAH    CAY    HAY1    109.470    3.000
 DRN      HAY3   CAY    HAY2    109.470    3.000
 DRN      HAY3   CAY    HAY1    109.470    3.000
 DRN      HAY2   CAY    HAY1    109.470    3.000
 DRN      CAJ    CAK    CAL     108.000    3.000
 DRN      CAJ    CAK    CAM     108.000    3.000
 DRN      CAL    CAK    CAM     108.000    3.000
 DRN      CAK    CAL    HAL     126.000    3.000
 DRN      CAK    CAL    NAO     108.000    3.000
 DRN      HAL    CAL    NAO     126.000    3.000
 DRN      CAL    NAO    CAN     108.000    3.000
 DRN      CAL    NAO    CA0     126.000    3.000
 DRN      CAN    NAO    CA0     126.000    3.000
 DRN      NAO    CAN    CAS     132.000    3.000
 DRN      NAO    CAN    CAM     108.000    3.000
 DRN      CAS    CAN    CAM     120.000    3.000
 DRN      CAN    CAS    HAS     120.000    3.000
 DRN      CAN    CAS    CAR     120.000    3.000
 DRN      HAS    CAS    CAR     120.000    3.000
 DRN      CAS    CAR    HAR     120.000    3.000
 DRN      CAS    CAR    CAQ     120.000    3.000
 DRN      HAR    CAR    CAQ     120.000    3.000
 DRN      CAR    CAQ    HAQ     120.000    3.000
 DRN      CAR    CAQ    CAP     120.000    3.000
 DRN      HAQ    CAQ    CAP     120.000    3.000
 DRN      CAQ    CAP    HAP     120.000    3.000
 DRN      CAQ    CAP    CAM     120.000    3.000
 DRN      HAP    CAP    CAM     120.000    3.000
 DRN      CAN    CAM    CAK     108.000    3.000
 DRN      CAN    CAM    CAP     120.000    3.000
 DRN      CAK    CAM    CAP     126.000    3.000
 DRN      NAO    CA0    HA01    109.500    3.000
 DRN      NAO    CA0    HA02    109.500    3.000
 DRN      NAO    CA0    CBF     109.500    3.000
 DRN      HA01   CA0    HA02    107.900    3.000
 DRN      HA01   CA0    CBF     109.470    3.000
 DRN      HA02   CA0    CBF     109.470    3.000
 DRN      CA0    CBF    HBF1    109.470    3.000
 DRN      CA0    CBF    HBF2    109.470    3.000
 DRN      CA0    CBF    CBE     111.000    3.000
 DRN      HBF1   CBF    HBF2    107.900    3.000
 DRN      HBF1   CBF    CBE     109.470    3.000
 DRN      HBF2   CBF    CBE     109.470    3.000
 DRN      CBF    CBE    HBE1    109.470    3.000
 DRN      CBF    CBE    HBE2    109.470    3.000
 DRN      CBF    CBE    SAT     109.500    3.000
 DRN      HBE1   CBE    HBE2    107.900    3.000
 DRN      HBE1   CBE    SAT     109.500    3.000
 DRN      HBE2   CBE    SAT     109.500    3.000
 DRN      CBE    SAT    CBD      99.191    3.000
 DRN      SAT    CBD    NAB     120.000    3.000
 DRN      SAT    CBD    NBC     120.000    3.000
 DRN      NAB    CBD    NBC     120.000    3.000
 DRN      CBD    NAB    HAB2    120.000    3.000
 DRN      CBD    NAB    HAB1    120.000    3.000
 DRN      HAB2   NAB    HAB1    120.000    3.000
 DRN      CBD    NBC    HBC     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
 DRN      CONST_1  OAX    CAV    NAU    CAT      180.000    0.000   0
 DRN      CONST_2  CAV    NAU    CAT    OAZ      180.000    0.000   0
 DRN      CONST_3  OAX    CAV    CAJ    CAK        0.000    0.000   0
 DRN      CONST_4  CAV    CAJ    CAI    CAG      180.000    0.000   0
 DRN      CONST_5  CAJ    CAI    CAT    NAU        0.000    0.000   0
 DRN      CONST_6  CAJ    CAI    CAG    CAD        0.000    0.000   0
 DRN      CONST_7  CAI    CAG    CAW    NAH      180.000    0.000   0
 DRN      CONST_8  CAI    CAG    CAD    CAE      180.000    0.000   0
 DRN      CONST_9  CAG    CAD    CAC    CAB      180.000    0.000   0
 DRN      CONST_10 CAD    CAC    CAB    CAA        0.000    0.000   0
 DRN      CONST_11 CAC    CAB    CAA    CAF        0.000    0.000   0
 DRN      CONST_12 CAB    CAA    CAF    CAE        0.000    0.000   0
 DRN      CONST_13 CAG    CAD    CAE    NAH        0.000    0.000   0
 DRN      CONST_14 CAD    CAE    CAF    CAA        0.000    0.000   0
 DRN      CONST_15 CAD    CAE    NAH    CAY      180.000    0.000   0
 DRN      CONST_16 CAE    NAH    CAW    CAG        0.000    0.000   0
 DRN      var_1    CAE    NAH    CAY    HAY1      -8.927   20.000   1
 DRN      CONST_17 CAV    CAJ    CAK    CAL      180.000    0.000   0
 DRN      CONST_18 CAJ    CAK    CAM    CAN      180.000    0.000   0
 DRN      CONST_19 CAJ    CAK    CAL    NAO      180.000    0.000   0
 DRN      CONST_20 CAK    CAL    NAO    CA0      180.000    0.000   0
 DRN      CONST_21 CAL    NAO    CAN    CAM        0.000    0.000   0
 DRN      CONST_22 NAO    CAN    CAS    CAR      180.000    0.000   0
 DRN      CONST_23 CAN    CAS    CAR    CAQ        0.000    0.000   0
 DRN      CONST_24 CAS    CAR    CAQ    CAP        0.000    0.000   0
 DRN      CONST_25 CAR    CAQ    CAP    CAM        0.000    0.000   0
 DRN      CONST_26 NAO    CAN    CAM    CAK        0.000    0.000   0
 DRN      CONST_27 CAN    CAM    CAP    CAQ        0.000    0.000   0
 DRN      var_2    CAL    NAO    CA0    CBF      -85.479   20.000   1
 DRN      var_3    NAO    CA0    CBF    CBE      146.375   20.000   3
 DRN      var_4    CA0    CBF    CBE    SAT     -176.507   20.000   3
 DRN      var_5    CBF    CBE    SAT    CBD     -109.204   20.000   1
 DRN      var_6    CBE    SAT    CBD    NBC     -139.376   20.000   1
 DRN      CONST_28 SAT    CBD    NAB    HAB1     180.000    0.000   0
 DRN      CONST_29 SAT    CBD    NBC    HBC        0.000    0.000   0
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
 DRN      plan-1    CBD       0.020
 DRN      plan-1    NBC       0.020
 DRN      plan-1    SAT       0.020
 DRN      plan-1    NAB       0.020
 DRN      plan-1    HBC       0.020
 DRN      plan-1    HAB2      0.020
 DRN      plan-1    HAB1      0.020
 DRN      plan-2    NAH       0.020
 DRN      plan-2    CAY       0.020
 DRN      plan-2    CAW       0.020
 DRN      plan-2    CAE       0.020
 DRN      plan-2    CAG       0.020
 DRN      plan-2    HAW       0.020
 DRN      plan-2    CAF       0.020
 DRN      plan-2    CAD       0.020
 DRN      plan-2    CAA       0.020
 DRN      plan-2    CAB       0.020
 DRN      plan-2    CAC       0.020
 DRN      plan-2    HAF       0.020
 DRN      plan-2    HAA       0.020
 DRN      plan-2    HAB       0.020
 DRN      plan-2    HAC       0.020
 DRN      plan-2    CAI       0.020
 DRN      plan-3    CAI       0.020
 DRN      plan-3    CAG       0.020
 DRN      plan-3    CAT       0.020
 DRN      plan-3    CAJ       0.020
 DRN      plan-3    NAU       0.020
 DRN      plan-3    CAV       0.020
 DRN      plan-3    OAZ       0.020
 DRN      plan-3    HAU       0.020
 DRN      plan-3    OAX       0.020
 DRN      plan-3    CAK       0.020
 DRN      plan-4    CAK       0.020
 DRN      plan-4    CAJ       0.020
 DRN      plan-4    CAM       0.020
 DRN      plan-4    CAL       0.020
 DRN      plan-4    NAO       0.020
 DRN      plan-4    CAP       0.020
 DRN      plan-4    CAN       0.020
 DRN      plan-4    CAQ       0.020
 DRN      plan-4    CAR       0.020
 DRN      plan-4    CAS       0.020
 DRN      plan-4    HAP       0.020
 DRN      plan-4    HAQ       0.020
 DRN      plan-4    HAR       0.020
 DRN      plan-4    HAS       0.020
 DRN      plan-4    CA0       0.020
 DRN      plan-4    HAL       0.020
 DRN      plan-5    NAB       0.020
 DRN      plan-5    CBD       0.020
 DRN      plan-5    HAB1      0.020
 DRN      plan-5    HAB2      0.020
# ------------------------------------------------------
