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
RCC      RCC '.                                   ' non-polymer        83  46 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_RCC
#
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
 RCC           OBD    O    O         0.000      0.000    0.000    0.000
 RCC           CAD    C    CR5       0.000     -1.139    0.393    0.147
 RCC           C3D    C    CR55      0.000     -2.275   -0.006   -0.600
 RCC           C2D    C    CR5       0.000     -2.687   -0.852   -1.664
 RCC           CMD    C    CH3       0.000     -1.801   -1.768   -2.468
 RCC           HMDB   H    H         0.000     -0.995   -2.098   -1.865
 RCC           HMDA   H    H         0.000     -2.361   -2.605   -2.795
 RCC           HMD    H    H         0.000     -1.423   -1.246   -3.308
 RCC           C1D    C    CR5       0.000     -4.014   -0.689   -1.824
 RCC           CHD    C    CH2       0.000     -4.862   -1.399   -2.847
 RCC           HHD    H    H         0.000     -4.284   -1.542   -3.763
 RCC           HHDA   H    H         0.000     -5.747   -0.799   -3.067
 RCC           C4C    C    CR5       0.000     -5.285   -2.740   -2.304
 RCC           C3C    C    CR5       0.000     -6.361   -2.965   -1.510
 RCC           CAC    C    CH2       0.000     -7.335   -1.923   -1.022
 RCC           HAC    H    H         0.000     -8.318   -2.378   -0.886
 RCC           HACA   H    H         0.000     -7.406   -1.118   -1.757
 RCC           CBC    C    CH3       0.000     -6.845   -1.354    0.313
 RCC           HBCB   H    H         0.000     -5.890   -0.912    0.184
 RCC           HBCA   H    H         0.000     -7.527   -0.620    0.660
 RCC           HBC    H    H         0.000     -6.776   -2.133    1.029
 RCC           C2C    C    CR5       0.000     -6.407   -4.330   -1.226
 RCC           CMC    C    CH3       0.000     -7.434   -5.035   -0.377
 RCC           HMCB   H    H         0.000     -8.358   -4.521   -0.441
 RCC           HMCA   H    H         0.000     -7.558   -6.028   -0.724
 RCC           HMC    H    H         0.000     -7.109   -5.051    0.631
 RCC           C1C    C    CR5       0.000     -5.331   -4.914   -1.872
 RCC           CHC    C    C1        0.000     -4.991   -6.286   -1.858
 RCC           HHC    H    H         0.000     -5.596   -6.986   -1.307
 RCC           OC     O    O         0.000     -4.016   -6.675   -2.469
 RCC           NC     N    NR15      0.000     -4.653   -3.911   -2.531
 RCC           HNC    H    H         0.000     -3.797   -4.035   -3.108
 RCC           CBD    C    CH1       0.000     -1.620    1.404    1.165
 RCC           HBD    H    H         0.000     -1.124    2.372    1.007
 RCC           CGD    C    C         0.000     -1.360    0.904    2.563
 RCC           O2D    O    O2       -0.500     -0.189    0.680    2.940
 RCC           CED    C    CH3       0.000      0.071    0.185    4.327
 RCC           HEDB   H    H         0.000     -0.289    0.885    5.044
 RCC           HEDA   H    H         0.000     -0.421   -0.746    4.486
 RCC           HED    H    H         0.000      1.116    0.047    4.481
 RCC           O1D    O    O        -0.500     -2.318    0.713    3.345
 RCC           CHA    C    CR5       0.000     -3.105    1.527    0.917
 RCC           C4D    C    CR55      0.000     -3.421    0.657   -0.148
 RCC           ND     N    NR15      0.000     -4.472    0.220   -0.916
 RCC           HND    H    H         0.000     -5.459    0.532   -0.821
 RCC           C1A    C    C         0.000     -3.977    2.328    1.596
 RCC           C2A    C    CH1       0.000     -3.630    3.185    2.795
 RCC           H2A    H    H         0.000     -3.281    2.563    3.631
 RCC           CAA    C    CH2       0.000     -2.581    4.234    2.425
 RCC           HAA    H    H         0.000     -3.004    4.932    1.700
 RCC           HAAA   H    H         0.000     -1.711    3.740    1.987
 RCC           CBA    C    CH2       0.000     -2.157    4.997    3.682
 RCC           HBAA   H    H         0.000     -1.660    4.312    4.372
 RCC           HBA    H    H         0.000     -3.040    5.421    4.164
 RCC           CGA    C    C         0.000     -1.209    6.104    3.301
 RCC           O2A    O    OC       -0.500     -0.737    6.855    4.184
 RCC           O1A    O    OC       -0.500     -0.892    6.273    2.103
 RCC           C3A    C    CH1       0.000     -4.977    3.857    3.139
 RCC           H3A    H    H         0.000     -4.900    4.950    3.048
 RCC           CMA    C    CH3       0.000     -5.434    3.463    4.544
 RCC           HMAB   H    H         0.000     -6.358    3.934    4.762
 RCC           HMAA   H    H         0.000     -5.555    2.412    4.596
 RCC           HMA    H    H         0.000     -4.708    3.769    5.252
 RCC           C4A    C    C         0.000     -5.918    3.298    2.094
 RCC           NA     N    N         0.000     -5.264    2.479    1.311
 RCC           CHB    C    C1        0.000     -7.278    3.610    1.982
 RCC           HHB    H    H         0.000     -7.732    4.298    2.674
 RCC           C1B    C    CR5       0.000     -8.040    3.032    0.980
 RCC           C2B    C    CR5       0.000     -9.412    3.262    0.762
 RCC           CMB    C    CH3       0.000    -10.302    4.171    1.569
 RCC           HMBB   H    H         0.000    -11.293    3.797    1.557
 RCC           HMBA   H    H         0.000     -9.952    4.212    2.568
 RCC           HMB    H    H         0.000    -10.287    5.143    1.149
 RCC           C3B    C    CR5       0.000     -9.792    2.501   -0.327
 RCC           CAB    C    C1        0.000    -11.138    2.423   -0.918
 RCC           HAB    H    H         0.000    -11.946    2.997   -0.496
 RCC           CBB    C    C2        0.000    -11.357    1.642   -1.974
 RCC           HBBA   H    H         0.000    -10.550    1.065   -2.399
 RCC           HBB    H    H         0.000    -12.342    1.582   -2.410
 RCC           C4B    C    CR5       0.000     -8.590    1.783   -0.781
 RCC           OB     O    O         0.000     -8.524    1.011   -1.720
 RCC           NB     N    NR15      0.000     -7.575    2.135    0.031
 RCC           HNB    H    H         0.000     -6.597    1.788   -0.042
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
 RCC      OBD    n/a    CAD    START
 RCC      CAD    OBD    CBD    .
 RCC      C3D    CAD    C2D    .
 RCC      C2D    C3D    C1D    .
 RCC      CMD    C2D    HMD    .
 RCC      HMDB   CMD    .      .
 RCC      HMDA   CMD    .      .
 RCC      HMD    CMD    .      .
 RCC      C1D    C2D    CHD    .
 RCC      CHD    C1D    C4C    .
 RCC      HHD    CHD    .      .
 RCC      HHDA   CHD    .      .
 RCC      C4C    CHD    NC     .
 RCC      C3C    C4C    C2C    .
 RCC      CAC    C3C    CBC    .
 RCC      HAC    CAC    .      .
 RCC      HACA   CAC    .      .
 RCC      CBC    CAC    HBC    .
 RCC      HBCB   CBC    .      .
 RCC      HBCA   CBC    .      .
 RCC      HBC    CBC    .      .
 RCC      C2C    C3C    C1C    .
 RCC      CMC    C2C    HMC    .
 RCC      HMCB   CMC    .      .
 RCC      HMCA   CMC    .      .
 RCC      HMC    CMC    .      .
 RCC      C1C    C2C    CHC    .
 RCC      CHC    C1C    OC     .
 RCC      HHC    CHC    .      .
 RCC      OC     CHC    .      .
 RCC      NC     C4C    HNC    .
 RCC      HNC    NC     .      .
 RCC      CBD    CAD    CHA    .
 RCC      HBD    CBD    .      .
 RCC      CGD    CBD    O1D    .
 RCC      O2D    CGD    CED    .
 RCC      CED    O2D    HED    .
 RCC      HEDB   CED    .      .
 RCC      HEDA   CED    .      .
 RCC      HED    CED    .      .
 RCC      O1D    CGD    .      .
 RCC      CHA    CBD    C1A    .
 RCC      C4D    CHA    ND     .
 RCC      ND     C4D    HND    .
 RCC      HND    ND     .      .
 RCC      C1A    CHA    C2A    .
 RCC      C2A    C1A    C3A    .
 RCC      H2A    C2A    .      .
 RCC      CAA    C2A    CBA    .
 RCC      HAA    CAA    .      .
 RCC      HAAA   CAA    .      .
 RCC      CBA    CAA    CGA    .
 RCC      HBAA   CBA    .      .
 RCC      HBA    CBA    .      .
 RCC      CGA    CBA    O1A    .
 RCC      O2A    CGA    .      .
 RCC      O1A    CGA    .      .
 RCC      C3A    C2A    C4A    .
 RCC      H3A    C3A    .      .
 RCC      CMA    C3A    HMA    .
 RCC      HMAB   CMA    .      .
 RCC      HMAA   CMA    .      .
 RCC      HMA    CMA    .      .
 RCC      C4A    C3A    CHB    .
 RCC      NA     C4A    .      .
 RCC      CHB    C4A    C1B    .
 RCC      HHB    CHB    .      .
 RCC      C1B    CHB    C2B    .
 RCC      C2B    C1B    C3B    .
 RCC      CMB    C2B    HMB    .
 RCC      HMBB   CMB    .      .
 RCC      HMBA   CMB    .      .
 RCC      HMB    CMB    .      .
 RCC      C3B    C2B    C4B    .
 RCC      CAB    C3B    CBB    .
 RCC      HAB    CAB    .      .
 RCC      CBB    CAB    HBB    .
 RCC      HBBA   CBB    .      .
 RCC      HBB    CBB    .      .
 RCC      C4B    C3B    NB     .
 RCC      OB     C4B    .      .
 RCC      NB     C4B    HNB    .
 RCC      HNB    NB     .      END
 RCC      NA     C1A    .    ADD
 RCC      NB     C1B    .    ADD
 RCC      NC     C1C    .    ADD
 RCC      ND     C1D    .    ADD
 RCC      C3D    C4D    .    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
 RCC      NA     C1A       single      1.330    0.020
 RCC      NA     C4A       double      1.260    0.020
 RCC      NB     C1B       single      1.340    0.020
 RCC      NB     C4B       single      1.340    0.020
 RCC      OB     C4B       double      1.285    0.020
 RCC      NC     C1C       single      1.340    0.020
 RCC      NC     C4C       single      1.340    0.020
 RCC      OC     CHC       double      1.220    0.020
 RCC      ND     C1D       single      1.340    0.020
 RCC      ND     C4D       single      1.395    0.020
 RCC      C2A    C1A       single      1.500    0.020
 RCC      C1A    CHA       double      1.490    0.020
 RCC      O1A    CGA       deloc       1.250    0.020
 RCC      C2B    C1B       single      1.490    0.020
 RCC      C1B    CHB       double      1.483    0.020
 RCC      C1C    C2C       double      1.490    0.020
 RCC      CHC    C1C       single      1.483    0.020
 RCC      C1D    C2D       double      1.490    0.020
 RCC      CHD    C1D       single      1.510    0.020
 RCC      O1D    CGD       deloc       1.220    0.020
 RCC      C3A    C2A       single      1.524    0.020
 RCC      CAA    C2A       single      1.524    0.020
 RCC      O2A    CGA       deloc       1.250    0.020
 RCC      C3B    C2B       double      1.490    0.020
 RCC      CMB    C2B       single      1.506    0.020
 RCC      C2C    C3C       single      1.490    0.020
 RCC      CMC    C2C       single      1.506    0.020
 RCC      C2D    C3D       single      1.490    0.020
 RCC      CMD    C2D       single      1.506    0.020
 RCC      CED    O2D       single      1.426    0.020
 RCC      O2D    CGD       deloc       1.454    0.020
 RCC      C4A    C3A       single      1.500    0.020
 RCC      CMA    C3A       single      1.524    0.020
 RCC      C4B    C3B       single      1.490    0.020
 RCC      CAB    C3B       single      1.483    0.020
 RCC      C3C    C4C       double      1.490    0.020
 RCC      CAC    C3C       single      1.510    0.020
 RCC      C3D    C4D       double      1.390    0.020
 RCC      C3D    CAD       single      1.490    0.020
 RCC      CHB    C4A       single      1.475    0.020
 RCC      C4C    CHD       single      1.510    0.020
 RCC      C4D    CHA       single      1.490    0.020
 RCC      CBA    CAA       single      1.524    0.020
 RCC      CBB    CAB       double      1.320    0.020
 RCC      CBC    CAC       single      1.513    0.020
 RCC      CBD    CAD       single      1.480    0.020
 RCC      CAD    OBD       double      1.285    0.020
 RCC      CGA    CBA       single      1.510    0.020
 RCC      CGD    CBD       single      1.500    0.020
 RCC      CHA    CBD       single      1.480    0.020
 RCC      HNB    NB        single      1.040    0.020
 RCC      HNC    NC        single      1.040    0.020
 RCC      HND    ND        single      1.040    0.020
 RCC      H2A    C2A       single      1.099    0.020
 RCC      H3A    C3A       single      1.099    0.020
 RCC      HAA    CAA       single      1.092    0.020
 RCC      HAAA   CAA       single      1.092    0.020
 RCC      HAB    CAB       single      1.077    0.020
 RCC      HAC    CAC       single      1.092    0.020
 RCC      HACA   CAC       single      1.092    0.020
 RCC      HBA    CBA       single      1.092    0.020
 RCC      HBAA   CBA       single      1.092    0.020
 RCC      HBB    CBB       single      1.077    0.020
 RCC      HBBA   CBB       single      1.077    0.020
 RCC      HBC    CBC       single      1.059    0.020
 RCC      HBCA   CBC       single      1.059    0.020
 RCC      HBCB   CBC       single      1.059    0.020
 RCC      HBD    CBD       single      1.099    0.020
 RCC      HED    CED       single      1.059    0.020
 RCC      HEDA   CED       single      1.059    0.020
 RCC      HEDB   CED       single      1.059    0.020
 RCC      HHB    CHB       single      1.077    0.020
 RCC      HHC    CHC       single      1.077    0.020
 RCC      HHD    CHD       single      1.092    0.020
 RCC      HHDA   CHD       single      1.092    0.020
 RCC      HMA    CMA       single      1.059    0.020
 RCC      HMAA   CMA       single      1.059    0.020
 RCC      HMAB   CMA       single      1.059    0.020
 RCC      HMB    CMB       single      1.059    0.020
 RCC      HMBA   CMB       single      1.059    0.020
 RCC      HMBB   CMB       single      1.059    0.020
 RCC      HMC    CMC       single      1.059    0.020
 RCC      HMCA   CMC       single      1.059    0.020
 RCC      HMCB   CMC       single      1.059    0.020
 RCC      HMD    CMD       single      1.059    0.020
 RCC      HMDA   CMD       single      1.059    0.020
 RCC      HMDB   CMD       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
 RCC      OBD    CAD    C3D     108.000    3.000
 RCC      OBD    CAD    CBD     108.000    3.000
 RCC      C3D    CAD    CBD     108.000    3.000
 RCC      CAD    C3D    C2D     108.000    3.000
 RCC      CAD    C3D    C4D     108.000    3.000
 RCC      C2D    C3D    C4D     108.000    3.000
 RCC      C3D    C2D    CMD     108.000    3.000
 RCC      C3D    C2D    C1D     108.000    3.000
 RCC      CMD    C2D    C1D     126.000    3.000
 RCC      C2D    CMD    HMDB    109.470    3.000
 RCC      C2D    CMD    HMDA    109.470    3.000
 RCC      C2D    CMD    HMD     109.470    3.000
 RCC      HMDB   CMD    HMDA    109.470    3.000
 RCC      HMDB   CMD    HMD     109.470    3.000
 RCC      HMDA   CMD    HMD     109.470    3.000
 RCC      C2D    C1D    CHD     126.000    3.000
 RCC      C2D    C1D    ND      108.000    3.000
 RCC      CHD    C1D    ND      126.000    3.000
 RCC      C1D    CHD    HHD     109.470    3.000
 RCC      C1D    CHD    HHDA    109.470    3.000
 RCC      C1D    CHD    C4C     109.500    3.000
 RCC      HHD    CHD    HHDA    107.900    3.000
 RCC      HHD    CHD    C4C     109.470    3.000
 RCC      HHDA   CHD    C4C     109.470    3.000
 RCC      CHD    C4C    C3C     126.000    3.000
 RCC      CHD    C4C    NC      126.000    3.000
 RCC      C3C    C4C    NC      108.000    3.000
 RCC      C4C    C3C    CAC     126.000    3.000
 RCC      C4C    C3C    C2C     108.000    3.000
 RCC      CAC    C3C    C2C     126.000    3.000
 RCC      C3C    CAC    HAC     109.470    3.000
 RCC      C3C    CAC    HACA    109.470    3.000
 RCC      C3C    CAC    CBC     109.470    3.000
 RCC      HAC    CAC    HACA    107.900    3.000
 RCC      HAC    CAC    CBC     109.470    3.000
 RCC      HACA   CAC    CBC     109.470    3.000
 RCC      CAC    CBC    HBCB    109.470    3.000
 RCC      CAC    CBC    HBCA    109.470    3.000
 RCC      CAC    CBC    HBC     109.470    3.000
 RCC      HBCB   CBC    HBCA    109.470    3.000
 RCC      HBCB   CBC    HBC     109.470    3.000
 RCC      HBCA   CBC    HBC     109.470    3.000
 RCC      C3C    C2C    CMC     126.000    3.000
 RCC      C3C    C2C    C1C     108.000    3.000
 RCC      CMC    C2C    C1C     126.000    3.000
 RCC      C2C    CMC    HMCB    109.470    3.000
 RCC      C2C    CMC    HMCA    109.470    3.000
 RCC      C2C    CMC    HMC     109.470    3.000
 RCC      HMCB   CMC    HMCA    109.470    3.000
 RCC      HMCB   CMC    HMC     109.470    3.000
 RCC      HMCA   CMC    HMC     109.470    3.000
 RCC      C2C    C1C    CHC     117.000    3.000
 RCC      C2C    C1C    NC      108.000    3.000
 RCC      CHC    C1C    NC      108.000    3.000
 RCC      C1C    CHC    HHC     120.000    3.000
 RCC      C1C    CHC    OC      120.000    3.000
 RCC      HHC    CHC    OC      123.000    3.000
 RCC      C4C    NC     HNC     126.000    3.000
 RCC      C4C    NC     C1C     108.000    3.000
 RCC      HNC    NC     C1C     126.000    3.000
 RCC      CAD    CBD    HBD     109.470    3.000
 RCC      CAD    CBD    CGD     109.500    3.000
 RCC      CAD    CBD    CHA     109.500    3.000
 RCC      HBD    CBD    CGD     108.810    3.000
 RCC      HBD    CBD    CHA     109.470    3.000
 RCC      CGD    CBD    CHA     109.500    3.000
 RCC      CBD    CGD    O2D     120.000    3.000
 RCC      CBD    CGD    O1D     120.500    3.000
 RCC      O2D    CGD    O1D     119.000    3.000
 RCC      CGD    O2D    CED     120.000    3.000
 RCC      O2D    CED    HEDB    109.470    3.000
 RCC      O2D    CED    HEDA    109.470    3.000
 RCC      O2D    CED    HED     109.470    3.000
 RCC      HEDB   CED    HEDA    109.470    3.000
 RCC      HEDB   CED    HED     109.470    3.000
 RCC      HEDA   CED    HED     109.470    3.000
 RCC      CBD    CHA    C4D     108.000    3.000
 RCC      CBD    CHA    C1A     108.000    3.000
 RCC      C4D    CHA    C1A     108.000    3.000
 RCC      CHA    C4D    ND      108.000    3.000
 RCC      CHA    C4D    C3D     108.000    3.000
 RCC      ND     C4D    C3D     108.000    3.000
 RCC      C4D    ND     HND     108.000    3.000
 RCC      C4D    ND     C1D     108.000    3.000
 RCC      HND    ND     C1D     126.000    3.000
 RCC      CHA    C1A    C2A     120.000    3.000
 RCC      CHA    C1A    NA      120.000    3.000
 RCC      C2A    C1A    NA      116.500    3.000
 RCC      C1A    C2A    H2A     108.810    3.000
 RCC      C1A    C2A    CAA     109.470    3.000
 RCC      C1A    C2A    C3A     109.470    3.000
 RCC      H2A    C2A    CAA     108.340    3.000
 RCC      H2A    C2A    C3A     108.340    3.000
 RCC      CAA    C2A    C3A     111.000    3.000
 RCC      C2A    CAA    HAA     109.470    3.000
 RCC      C2A    CAA    HAAA    109.470    3.000
 RCC      C2A    CAA    CBA     111.000    3.000
 RCC      HAA    CAA    HAAA    107.900    3.000
 RCC      HAA    CAA    CBA     109.470    3.000
 RCC      HAAA   CAA    CBA     109.470    3.000
 RCC      CAA    CBA    HBAA    109.470    3.000
 RCC      CAA    CBA    HBA     109.470    3.000
 RCC      CAA    CBA    CGA     109.470    3.000
 RCC      HBAA   CBA    HBA     107.900    3.000
 RCC      HBAA   CBA    CGA     109.470    3.000
 RCC      HBA    CBA    CGA     109.470    3.000
 RCC      CBA    CGA    O2A     118.500    3.000
 RCC      CBA    CGA    O1A     118.500    3.000
 RCC      O2A    CGA    O1A     123.000    3.000
 RCC      C2A    C3A    H3A     108.340    3.000
 RCC      C2A    C3A    CMA     111.000    3.000
 RCC      C2A    C3A    C4A     109.470    3.000
 RCC      H3A    C3A    CMA     108.340    3.000
 RCC      H3A    C3A    C4A     108.810    3.000
 RCC      CMA    C3A    C4A     109.470    3.000
 RCC      C3A    CMA    HMAB    109.470    3.000
 RCC      C3A    CMA    HMAA    109.470    3.000
 RCC      C3A    CMA    HMA     109.470    3.000
 RCC      HMAB   CMA    HMAA    109.470    3.000
 RCC      HMAB   CMA    HMA     109.470    3.000
 RCC      HMAA   CMA    HMA     109.470    3.000
 RCC      C3A    C4A    NA      116.500    3.000
 RCC      C3A    C4A    CHB     120.000    3.000
 RCC      NA     C4A    CHB     116.500    3.000
 RCC      C4A    NA     C1A     120.000    3.000
 RCC      C4A    CHB    HHB     120.000    3.000
 RCC      C4A    CHB    C1B     120.000    3.000
 RCC      HHB    CHB    C1B     120.000    3.000
 RCC      CHB    C1B    C2B     117.000    3.000
 RCC      CHB    C1B    NB      108.000    3.000
 RCC      C2B    C1B    NB      108.000    3.000
 RCC      C1B    C2B    CMB     126.000    3.000
 RCC      C1B    C2B    C3B     108.000    3.000
 RCC      CMB    C2B    C3B     126.000    3.000
 RCC      C2B    CMB    HMBB    109.470    3.000
 RCC      C2B    CMB    HMBA    109.470    3.000
 RCC      C2B    CMB    HMB     109.470    3.000
 RCC      HMBB   CMB    HMBA    109.470    3.000
 RCC      HMBB   CMB    HMB     109.470    3.000
 RCC      HMBA   CMB    HMB     109.470    3.000
 RCC      C2B    C3B    CAB     117.000    3.000
 RCC      C2B    C3B    C4B     108.000    3.000
 RCC      CAB    C3B    C4B     117.000    3.000
 RCC      C3B    CAB    HAB     120.000    3.000
 RCC      C3B    CAB    CBB     120.000    3.000
 RCC      HAB    CAB    CBB     120.000    3.000
 RCC      CAB    CBB    HBBA    120.000    3.000
 RCC      CAB    CBB    HBB     120.000    3.000
 RCC      HBBA   CBB    HBB     120.000    3.000
 RCC      C3B    C4B    OB      108.000    3.000
 RCC      C3B    C4B    NB      108.000    3.000
 RCC      OB     C4B    NB      108.000    3.000
 RCC      C4B    NB     HNB     126.000    3.000
 RCC      C4B    NB     C1B     108.000    3.000
 RCC      HNB    NB     C1B     126.000    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
 RCC      CONST_1  OBD    CAD    C3D    C2D        0.000    0.000   0
 RCC      CONST_2  CAD    C3D    C4D    CHA        0.000    0.000   0
 RCC      CONST_3  CAD    C3D    C2D    C1D      180.000    0.000   0
 RCC      var_1    C3D    C2D    CMD    HMD      -89.973   20.000   1
 RCC      CONST_4  C3D    C2D    C1D    CHD      180.000    0.000   0
 RCC      var_2    C2D    C1D    CHD    C4C       85.054   20.000   2
 RCC      var_3    C1D    CHD    C4C    NC       -95.017   20.000   2
 RCC      CONST_5  CHD    C4C    C3C    C2C      180.000    0.000   0
 RCC      var_4    C4C    C3C    CAC    CBC      -89.990   20.000   2
 RCC      var_5    C3C    CAC    CBC    HBC      -60.045   20.000   3
 RCC      CONST_6  C4C    C3C    C2C    C1C        0.000    0.000   0
 RCC      var_6    C3C    C2C    CMC    HMC      -89.989   20.000   1
 RCC      CONST_7  C3C    C2C    C1C    CHC      180.000    0.000   0
 RCC      var_7    C2C    C1C    CHC    OC       179.997   20.000   1
 RCC      CONST_8  CHD    C4C    NC     C1C      180.000    0.000   0
 RCC      CONST_9  C4C    NC     C1C    C2C        0.000    0.000   0
 RCC      CONST_10 OBD    CAD    CBD    CHA      180.000    0.000   0
 RCC      var_8    CAD    CBD    CGD    O1D     -118.538   20.000   3
 RCC      var_9    CBD    CGD    O2D    CED      179.973   20.000   1
 RCC      var_10   CGD    O2D    CED    HED      179.993   20.000   1
 RCC      CONST_11 CAD    CBD    CHA    C1A      180.000    0.000   0
 RCC      CONST_12 CBD    CHA    C4D    ND       180.000    0.000   0
 RCC      CONST_13 CHA    C4D    ND     C1D      180.000    0.000   0
 RCC      CONST_14 C4D    ND     C1D    C2D        0.000    0.000   0
 RCC      var_11   CBD    CHA    C1A    C2A       -4.176   20.000   1
 RCC      var_12   CHA    C1A    C2A    C3A      180.000   20.000   3
 RCC      var_13   C1A    C2A    CAA    CBA     -174.776   20.000   3
 RCC      var_14   C2A    CAA    CBA    CGA     -175.377   20.000   3
 RCC      var_15   CAA    CBA    CGA    O1A       -0.038   20.000   3
 RCC      var_16   C1A    C2A    C3A    C4A        0.000   20.000   3
 RCC      var_17   C2A    C3A    CMA    HMA       59.937   20.000   3
 RCC      var_18   C2A    C3A    C4A    CHB      180.000   20.000   3
 RCC      CONST_15 C3A    C4A    NA     C1A        0.000    0.000   0
 RCC      CONST_16 C4A    NA     C1A    CHA      180.000    0.000   0
 RCC      var_19   C3A    C4A    CHB    C1B     -179.962   20.000   1
 RCC      CONST_17 C4A    CHB    C1B    C2B     -179.998    0.000   0
 RCC      CONST_18 CHB    C1B    C2B    C3B      180.000    0.000   0
 RCC      var_20   C1B    C2B    CMB    HMB       90.008   20.000   1
 RCC      CONST_19 C1B    C2B    C3B    C4B        0.000    0.000   0
 RCC      var_21   C2B    C3B    CAB    CBB      179.974   20.000   1
 RCC      CONST_20 C3B    CAB    CBB    HBB     -179.995    0.000   0
 RCC      CONST_21 C2B    C3B    C4B    NB         0.000    0.000   0
 RCC      CONST_22 C3B    C4B    NB     C1B        0.000    0.000   0
 RCC      CONST_23 C4B    NB     C1B    CHB      180.000    0.000   0
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
 RCC      chir_01  C2A    C1A    C3A    CAA       positiv
 RCC      chir_02  C3A    C2A    C4A    CMA       negativ
 RCC      chir_03  CBD    CAD    CGD    CHA       positiv
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
 RCC      plan-1    NA        0.020
 RCC      plan-1    C1A       0.020
 RCC      plan-1    C4A       0.020
 RCC      plan-2    NB        0.020
 RCC      plan-2    C1B       0.020
 RCC      plan-2    C4B       0.020
 RCC      plan-2    HNB       0.020
 RCC      plan-2    C2B       0.020
 RCC      plan-2    C3B       0.020
 RCC      plan-2    CHB       0.020
 RCC      plan-2    CMB       0.020
 RCC      plan-2    CAB       0.020
 RCC      plan-2    OB        0.020
 RCC      plan-2    C4A       0.020
 RCC      plan-2    HHB       0.020
 RCC      plan-2    HAB       0.020
 RCC      plan-3    NC        0.020
 RCC      plan-3    C1C       0.020
 RCC      plan-3    C4C       0.020
 RCC      plan-3    HNC       0.020
 RCC      plan-3    C2C       0.020
 RCC      plan-3    C3C       0.020
 RCC      plan-3    CHC       0.020
 RCC      plan-3    CMC       0.020
 RCC      plan-3    CAC       0.020
 RCC      plan-3    CHD       0.020
 RCC      plan-3    HHC       0.020
 RCC      plan-4    ND        0.020
 RCC      plan-4    C1D       0.020
 RCC      plan-4    C4D       0.020
 RCC      plan-4    HND       0.020
 RCC      plan-4    C2D       0.020
 RCC      plan-4    CHD       0.020
 RCC      plan-4    C3D       0.020
 RCC      plan-4    CMD       0.020
 RCC      plan-4    CAD       0.020
 RCC      plan-4    CBD       0.020
 RCC      plan-4    CHA       0.020
 RCC      plan-4    OBD       0.020
 RCC      plan-4    C1A       0.020
 RCC      plan-5    C1A       0.020
 RCC      plan-5    NA        0.020
 RCC      plan-5    C2A       0.020
 RCC      plan-5    CHA       0.020
 RCC      plan-6    C4A       0.020
 RCC      plan-6    NA        0.020
 RCC      plan-6    C3A       0.020
 RCC      plan-6    CHB       0.020
 RCC      plan-6    HHB       0.020
 RCC      plan-7    CAB       0.020
 RCC      plan-7    C3B       0.020
 RCC      plan-7    CBB       0.020
 RCC      plan-7    HAB       0.020
 RCC      plan-7    HBB       0.020
 RCC      plan-7    HBBA      0.020
 RCC      plan-8    CGA       0.020
 RCC      plan-8    O1A       0.020
 RCC      plan-8    O2A       0.020
 RCC      plan-8    CBA       0.020
 RCC      plan-9    CGD       0.020
 RCC      plan-9    O1D       0.020
 RCC      plan-9    O2D       0.020
 RCC      plan-9    CBD       0.020
 RCC      plan-10   CHC       0.020
 RCC      plan-10   OC        0.020
 RCC      plan-10   C1C       0.020
 RCC      plan-10   HHC       0.020
# ------------------------------------------------------
