File: CG2.cif

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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
CG2      CG2 'CYTIDYL-2'-5'-PHOSPHO-GUANOSINE     ' non-polymer        64  40 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CG2
#
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
 CG2           O2U    O    O         0.000      0.000    0.000    0.000
 CG2           C2U    C    CR6       0.000     -0.583   -1.033   -0.284
 CG2           N3U    N    NRD6      0.000     -0.476   -2.088    0.521
 CG2           C4U    C    CR6       0.000     -1.100   -3.224    0.236
 CG2           N4C    N    NH2       0.000     -0.977   -4.309    1.072
 CG2           H4C2   H    H         0.000     -0.410   -4.249    1.911
 CG2           H4C1   H    H         0.000     -1.453   -5.179    0.858
 CG2           C5U    C    CR16      0.000     -1.889   -3.312   -0.929
 CG2           H5U    H    H         0.000     -2.404   -4.232   -1.176
 CG2           C6U    C    CR16      0.000     -1.992   -2.230   -1.735
 CG2           H6U    H    H         0.000     -2.592   -2.273   -2.636
 CG2           N1U    N    NR6       0.000     -1.334   -1.085   -1.400
 CG2           "C1'"  C    CH1       0.000     -1.437    0.094   -2.263
 CG2           HCF    H    H         0.000     -2.027   -0.135   -3.162
 CG2           "O4'"  O    O2        0.000     -0.125    0.576   -2.627
 CG2           "C2'"  C    CH1       0.000     -2.058    1.288   -1.494
 CG2           HCG    H    H         0.000     -1.709    1.307   -0.452
 CG2           "C3'"  C    CH1       0.000     -1.512    2.503   -2.281
 CG2           HCE    H    H         0.000     -1.223    3.309   -1.592
 CG2           "O3'"  O    OH1       0.000     -2.485    2.972   -3.216
 CG2           HOC    H    H         0.000     -2.128    3.730   -3.700
 CG2           "C4'"  C    CH1       0.000     -0.274    1.952   -3.016
 CG2           HCD    H    H         0.000     -0.424    2.020   -4.102
 CG2           "C5'"  C    CH2       0.000      0.968    2.748   -2.611
 CG2           HCA1   H    H         0.000      1.171    2.590   -1.550
 CG2           HCA2   H    H         0.000      0.794    3.810   -2.793
 CG2           "O5'"  O    OH1       0.000      2.088    2.308   -3.382
 CG2           HOB    H    H         0.000      2.873    2.811   -3.126
 CG2           "O2'"  O    O2        0.000     -3.487    1.243   -1.551
 CG2           P      P    P         0.000     -4.012    1.219   -0.029
 CG2           O1P    O    OP       -0.500     -3.452    2.379    0.706
 CG2           O2P    O    OP       -0.500     -3.576   -0.038    0.625
 CG2           "OE'"  O    O2        0.000     -5.620    1.301   -0.016
 CG2           "CE'"  C    CH2       0.000     -6.018    1.396    1.353
 CG2           "HC'1" H    H         0.000     -5.579    2.292    1.798
 CG2           "HC'2" H    H         0.000     -5.669    0.514    1.895
 CG2           "CD'"  C    CH1       0.000     -7.543    1.477    1.437
 CG2           HCC    H    H         0.000     -7.914    2.318    0.835
 CG2           "CC'"  C    CH1       0.000     -7.996    1.628    2.906
 CG2           HCB    H    H         0.000     -7.234    1.224    3.588
 CG2           "OC'"  O    OH1       0.000     -8.265    2.998    3.209
 CG2           HOA    H    H         0.000     -8.546    3.074    4.131
 CG2           "CB'"  C    CH1       0.000     -9.294    0.790    2.988
 CG2           HCA    H    H         0.000     -9.177   -0.031    3.709
 CG2           "OB'"  O    OH1       0.000    -10.402    1.617    3.346
 CG2           "HO'"  H    H         0.000    -10.245    2.004    4.218
 CG2           "OD'"  O    O2        0.000     -8.138    0.238    0.992
 CG2           "CA'"  C    CH1       0.000     -9.466    0.231    1.558
 CG2           "HC'"  H    H         0.000    -10.135    0.878    0.973
 CG2           N9G    N    NR5       0.000     -9.992   -1.136    1.605
 CG2           C4G    C    CR56      0.000    -11.312   -1.494    1.668
 CG2           N3G    N    NRD6      0.000    -12.462   -0.813    1.705
 CG2           C2G    C    CR6       0.000    -13.619   -1.435    1.765
 CG2           N2G    N    NH2       0.000    -14.773   -0.694    1.802
 CG2           H2G2   H    H         0.000    -15.675   -1.153    1.849
 CG2           H2G1   H    H         0.000    -14.731    0.319    1.782
 CG2           C8G    C    CR15      0.000     -9.256   -2.285    1.594
 CG2           H8G    H    H         0.000     -8.175   -2.331    1.549
 CG2           N7G    N    NRD5      0.000    -10.047   -3.316    1.646
 CG2           C5G    C    CR56      0.000    -11.333   -2.894    1.694
 CG2           C6G    C    CR6       0.000    -12.585   -3.550    1.759
 CG2           O6G    O    O         0.000    -12.651   -4.767    1.783
 CG2           N1G    N    NR16      0.000    -13.704   -2.795    1.799
 CG2           HNG1   H    H         0.000    -14.636   -3.254    1.856
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
 CG2      O2U    n/a    C2U    START
 CG2      C2U    O2U    N3U    .
 CG2      N3U    C2U    C4U    .
 CG2      C4U    N3U    C5U    .
 CG2      N4C    C4U    H4C1   .
 CG2      H4C2   N4C    .      .
 CG2      H4C1   N4C    .      .
 CG2      C5U    C4U    C6U    .
 CG2      H5U    C5U    .      .
 CG2      C6U    C5U    N1U    .
 CG2      H6U    C6U    .      .
 CG2      N1U    C6U    "C1'"  .
 CG2      "C1'"  N1U    "C2'"  .
 CG2      HCF    "C1'"  .      .
 CG2      "O4'"  "C1'"  .      .
 CG2      "C2'"  "C1'"  "O2'"  .
 CG2      HCG    "C2'"  .      .
 CG2      "C3'"  "C2'"  "C4'"  .
 CG2      HCE    "C3'"  .      .
 CG2      "O3'"  "C3'"  HOC    .
 CG2      HOC    "O3'"  .      .
 CG2      "C4'"  "C3'"  "C5'"  .
 CG2      HCD    "C4'"  .      .
 CG2      "C5'"  "C4'"  "O5'"  .
 CG2      HCA1   "C5'"  .      .
 CG2      HCA2   "C5'"  .      .
 CG2      "O5'"  "C5'"  HOB    .
 CG2      HOB    "O5'"  .      .
 CG2      "O2'"  "C2'"  P      .
 CG2      P      "O2'"  "OE'"  .
 CG2      O1P    P      .      .
 CG2      O2P    P      .      .
 CG2      "OE'"  P      "CE'"  .
 CG2      "CE'"  "OE'"  "CD'"  .
 CG2      "HC'1" "CE'"  .      .
 CG2      "HC'2" "CE'"  .      .
 CG2      "CD'"  "CE'"  "OD'"  .
 CG2      HCC    "CD'"  .      .
 CG2      "CC'"  "CD'"  "CB'"  .
 CG2      HCB    "CC'"  .      .
 CG2      "OC'"  "CC'"  HOA    .
 CG2      HOA    "OC'"  .      .
 CG2      "CB'"  "CC'"  "OB'"  .
 CG2      HCA    "CB'"  .      .
 CG2      "OB'"  "CB'"  "HO'"  .
 CG2      "HO'"  "OB'"  .      .
 CG2      "OD'"  "CD'"  "CA'"  .
 CG2      "CA'"  "OD'"  N9G    .
 CG2      "HC'"  "CA'"  .      .
 CG2      N9G    "CA'"  C8G    .
 CG2      C4G    N9G    N3G    .
 CG2      N3G    C4G    C2G    .
 CG2      C2G    N3G    N2G    .
 CG2      N2G    C2G    H2G1   .
 CG2      H2G2   N2G    .      .
 CG2      H2G1   N2G    .      .
 CG2      C8G    N9G    N7G    .
 CG2      H8G    C8G    .      .
 CG2      N7G    C8G    C5G    .
 CG2      C5G    N7G    C6G    .
 CG2      C6G    C5G    N1G    .
 CG2      O6G    C6G    .      .
 CG2      N1G    C6G    HNG1   .
 CG2      HNG1   N1G    .      END
 CG2      N1G    C2G    .    ADD
 CG2      C4G    C5G    .    ADD
 CG2      "CA'"  "CB'"  .    ADD
 CG2      "C4'"  "O4'"  .    ADD
 CG2      N1U    C2U    .    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
 CG2      N1G    C2G       single      1.337    0.020
 CG2      N1G    C6G       single      1.337    0.020
 CG2      HNG1   N1G       single      1.040    0.020
 CG2      N2G    C2G       single      1.355    0.020
 CG2      C2G    N3G       double      1.350    0.020
 CG2      H2G1   N2G       single      1.010    0.020
 CG2      H2G2   N2G       single      1.010    0.020
 CG2      N3G    C4G       single      1.355    0.020
 CG2      C4G    C5G       double      1.490    0.020
 CG2      C4G    N9G       single      1.337    0.020
 CG2      C6G    C5G       single      1.490    0.020
 CG2      C5G    N7G       single      1.350    0.020
 CG2      O6G    C6G       double      1.250    0.020
 CG2      N7G    C8G       double      1.350    0.020
 CG2      C8G    N9G       single      1.337    0.020
 CG2      H8G    C8G       single      1.083    0.020
 CG2      N9G    "CA'"     single      1.485    0.020
 CG2      "CA'"  "CB'"     single      1.524    0.020
 CG2      "CA'"  "OD'"     single      1.426    0.020
 CG2      "HC'"  "CA'"     single      1.099    0.020
 CG2      "OB'"  "CB'"     single      1.432    0.020
 CG2      "CB'"  "CC'"     single      1.524    0.020
 CG2      HCA    "CB'"     single      1.099    0.020
 CG2      "HO'"  "OB'"     single      0.967    0.020
 CG2      "OC'"  "CC'"     single      1.432    0.020
 CG2      "CC'"  "CD'"     single      1.524    0.020
 CG2      HCB    "CC'"     single      1.099    0.020
 CG2      HOA    "OC'"     single      0.967    0.020
 CG2      "OD'"  "CD'"     single      1.426    0.020
 CG2      "CD'"  "CE'"     single      1.524    0.020
 CG2      HCC    "CD'"     single      1.099    0.020
 CG2      "CE'"  "OE'"     single      1.426    0.020
 CG2      "HC'1" "CE'"     single      1.092    0.020
 CG2      "HC'2" "CE'"     single      1.092    0.020
 CG2      "OE'"  P         single      1.610    0.020
 CG2      O1P    P         deloc       1.510    0.020
 CG2      O2P    P         deloc       1.510    0.020
 CG2      P      "O2'"     single      1.610    0.020
 CG2      "O5'"  "C5'"     single      1.432    0.020
 CG2      HOB    "O5'"     single      0.967    0.020
 CG2      "C5'"  "C4'"     single      1.524    0.020
 CG2      HCA1   "C5'"     single      1.092    0.020
 CG2      HCA2   "C5'"     single      1.092    0.020
 CG2      "C4'"  "O4'"     single      1.426    0.020
 CG2      "C4'"  "C3'"     single      1.524    0.020
 CG2      HCD    "C4'"     single      1.099    0.020
 CG2      "O4'"  "C1'"     single      1.426    0.020
 CG2      "O3'"  "C3'"     single      1.432    0.020
 CG2      "C3'"  "C2'"     single      1.524    0.020
 CG2      HCE    "C3'"     single      1.099    0.020
 CG2      HOC    "O3'"     single      0.967    0.020
 CG2      "O2'"  "C2'"     single      1.426    0.020
 CG2      "C2'"  "C1'"     single      1.524    0.020
 CG2      HCG    "C2'"     single      1.099    0.020
 CG2      "C1'"  N1U       single      1.465    0.020
 CG2      HCF    "C1'"     single      1.099    0.020
 CG2      N1U    C2U       single      1.410    0.020
 CG2      N1U    C6U       single      1.337    0.020
 CG2      C2U    O2U       double      1.250    0.020
 CG2      N3U    C2U       single      1.350    0.020
 CG2      C4U    N3U       double      1.350    0.020
 CG2      C5U    C4U       single      1.390    0.020
 CG2      N4C    C4U       single      1.355    0.020
 CG2      C6U    C5U       double      1.390    0.020
 CG2      H5U    C5U       single      1.083    0.020
 CG2      H6U    C6U       single      1.083    0.020
 CG2      H4C1   N4C       single      1.010    0.020
 CG2      H4C2   N4C       single      1.010    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
 CG2      O2U    C2U    N3U     120.000    3.000
 CG2      O2U    C2U    N1U     120.000    3.000
 CG2      N3U    C2U    N1U     120.000    3.000
 CG2      C2U    N3U    C4U     120.000    3.000
 CG2      N3U    C4U    N4C     120.000    3.000
 CG2      N3U    C4U    C5U     120.000    3.000
 CG2      N4C    C4U    C5U     120.000    3.000
 CG2      C4U    N4C    H4C2    120.000    3.000
 CG2      C4U    N4C    H4C1    120.000    3.000
 CG2      H4C2   N4C    H4C1    120.000    3.000
 CG2      C4U    C5U    H5U     120.000    3.000
 CG2      C4U    C5U    C6U     120.000    3.000
 CG2      H5U    C5U    C6U     120.000    3.000
 CG2      C5U    C6U    H6U     120.000    3.000
 CG2      C5U    C6U    N1U     120.000    3.000
 CG2      H6U    C6U    N1U     120.000    3.000
 CG2      C6U    N1U    "C1'"   120.000    3.000
 CG2      C6U    N1U    C2U     120.000    3.000
 CG2      "C1'"  N1U    C2U     120.000    3.000
 CG2      N1U    "C1'"  HCF     109.470    3.000
 CG2      N1U    "C1'"  "O4'"   109.470    3.000
 CG2      N1U    "C1'"  "C2'"   109.470    3.000
 CG2      HCF    "C1'"  "O4'"   109.470    3.000
 CG2      HCF    "C1'"  "C2'"   108.340    3.000
 CG2      "O4'"  "C1'"  "C2'"   109.470    3.000
 CG2      "C1'"  "O4'"  "C4'"   111.800    3.000
 CG2      "C1'"  "C2'"  HCG     108.340    3.000
 CG2      "C1'"  "C2'"  "C3'"   111.000    3.000
 CG2      "C1'"  "C2'"  "O2'"   109.470    3.000
 CG2      HCG    "C2'"  "C3'"   108.340    3.000
 CG2      HCG    "C2'"  "O2'"   109.470    3.000
 CG2      "C3'"  "C2'"  "O2'"   109.470    3.000
 CG2      "C2'"  "C3'"  HCE     108.340    3.000
 CG2      "C2'"  "C3'"  "O3'"   109.470    3.000
 CG2      "C2'"  "C3'"  "C4'"   111.000    3.000
 CG2      HCE    "C3'"  "O3'"   109.470    3.000
 CG2      HCE    "C3'"  "C4'"   108.340    3.000
 CG2      "O3'"  "C3'"  "C4'"   109.470    3.000
 CG2      "C3'"  "O3'"  HOC     109.470    3.000
 CG2      "C3'"  "C4'"  HCD     108.340    3.000
 CG2      "C3'"  "C4'"  "C5'"   111.000    3.000
 CG2      "C3'"  "C4'"  "O4'"   109.470    3.000
 CG2      HCD    "C4'"  "C5'"   108.340    3.000
 CG2      HCD    "C4'"  "O4'"   109.470    3.000
 CG2      "C5'"  "C4'"  "O4'"   109.470    3.000
 CG2      "C4'"  "C5'"  HCA1    109.470    3.000
 CG2      "C4'"  "C5'"  HCA2    109.470    3.000
 CG2      "C4'"  "C5'"  "O5'"   109.470    3.000
 CG2      HCA1   "C5'"  HCA2    107.900    3.000
 CG2      HCA1   "C5'"  "O5'"   109.470    3.000
 CG2      HCA2   "C5'"  "O5'"   109.470    3.000
 CG2      "C5'"  "O5'"  HOB     109.470    3.000
 CG2      "C2'"  "O2'"  P       120.500    3.000
 CG2      "O2'"  P      O1P     108.200    3.000
 CG2      "O2'"  P      O2P     108.200    3.000
 CG2      "O2'"  P      "OE'"   102.600    3.000
 CG2      O1P    P      O2P     119.900    3.000
 CG2      O1P    P      "OE'"   108.200    3.000
 CG2      O2P    P      "OE'"   108.200    3.000
 CG2      P      "OE'"  "CE'"   120.500    3.000
 CG2      "OE'"  "CE'"  "HC'1"  109.470    3.000
 CG2      "OE'"  "CE'"  "HC'2"  109.470    3.000
 CG2      "OE'"  "CE'"  "CD'"   109.470    3.000
 CG2      "HC'1" "CE'"  "HC'2"  107.900    3.000
 CG2      "HC'1" "CE'"  "CD'"   109.470    3.000
 CG2      "HC'2" "CE'"  "CD'"   109.470    3.000
 CG2      "CE'"  "CD'"  HCC     108.340    3.000
 CG2      "CE'"  "CD'"  "CC'"   111.000    3.000
 CG2      "CE'"  "CD'"  "OD'"   109.470    3.000
 CG2      HCC    "CD'"  "CC'"   108.340    3.000
 CG2      HCC    "CD'"  "OD'"   109.470    3.000
 CG2      "CC'"  "CD'"  "OD'"   109.470    3.000
 CG2      "CD'"  "CC'"  HCB     108.340    3.000
 CG2      "CD'"  "CC'"  "OC'"   109.470    3.000
 CG2      "CD'"  "CC'"  "CB'"   111.000    3.000
 CG2      HCB    "CC'"  "OC'"   109.470    3.000
 CG2      HCB    "CC'"  "CB'"   108.340    3.000
 CG2      "OC'"  "CC'"  "CB'"   109.470    3.000
 CG2      "CC'"  "OC'"  HOA     109.470    3.000
 CG2      "CC'"  "CB'"  HCA     108.340    3.000
 CG2      "CC'"  "CB'"  "OB'"   109.470    3.000
 CG2      "CC'"  "CB'"  "CA'"   111.000    3.000
 CG2      HCA    "CB'"  "OB'"   109.470    3.000
 CG2      HCA    "CB'"  "CA'"   108.340    3.000
 CG2      "OB'"  "CB'"  "CA'"   109.470    3.000
 CG2      "CB'"  "OB'"  "HO'"   109.470    3.000
 CG2      "CD'"  "OD'"  "CA'"   111.800    3.000
 CG2      "OD'"  "CA'"  "HC'"   109.470    3.000
 CG2      "OD'"  "CA'"  N9G     109.470    3.000
 CG2      "OD'"  "CA'"  "CB'"   109.470    3.000
 CG2      "HC'"  "CA'"  N9G     109.470    3.000
 CG2      "HC'"  "CA'"  "CB'"   108.340    3.000
 CG2      N9G    "CA'"  "CB'"   109.470    3.000
 CG2      "CA'"  N9G    C4G     126.000    3.000
 CG2      "CA'"  N9G    C8G     126.000    3.000
 CG2      C4G    N9G    C8G     108.000    3.000
 CG2      N9G    C4G    N3G     132.000    3.000
 CG2      N9G    C4G    C5G     108.000    3.000
 CG2      N3G    C4G    C5G     120.000    3.000
 CG2      C4G    N3G    C2G     120.000    3.000
 CG2      N3G    C2G    N2G     120.000    3.000
 CG2      N3G    C2G    N1G     120.000    3.000
 CG2      N2G    C2G    N1G     120.000    3.000
 CG2      C2G    N2G    H2G2    120.000    3.000
 CG2      C2G    N2G    H2G1    120.000    3.000
 CG2      H2G2   N2G    H2G1    120.000    3.000
 CG2      N9G    C8G    H8G     126.000    3.000
 CG2      N9G    C8G    N7G     108.000    3.000
 CG2      H8G    C8G    N7G     126.000    3.000
 CG2      C8G    N7G    C5G     108.000    3.000
 CG2      N7G    C5G    C6G     132.000    3.000
 CG2      N7G    C5G    C4G     108.000    3.000
 CG2      C6G    C5G    C4G     120.000    3.000
 CG2      C5G    C6G    O6G     120.000    3.000
 CG2      C5G    C6G    N1G     120.000    3.000
 CG2      O6G    C6G    N1G     120.000    3.000
 CG2      C6G    N1G    HNG1    120.000    3.000
 CG2      C6G    N1G    C2G     120.000    3.000
 CG2      HNG1   N1G    C2G     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
 CG2      CONST_1  O2U    C2U    N3U    C4U      180.000    0.000   0
 CG2      CONST_2  C2U    N3U    C4U    C5U        0.000    0.000   0
 CG2      CONST_3  N3U    C4U    N4C    H4C1     179.940    0.000   0
 CG2      CONST_4  N3U    C4U    C5U    C6U        0.000    0.000   0
 CG2      CONST_5  C4U    C5U    C6U    N1U        0.000    0.000   0
 CG2      CONST_6  C5U    C6U    N1U    "C1'"    180.000    0.000   0
 CG2      CONST_7  C6U    N1U    C2U    O2U      180.000    0.000   0
 CG2      var_1    C6U    N1U    "C1'"  "C2'"    119.420   20.000   1
 CG2      var_2    N1U    "C1'"  "O4'"  "C4'"   -150.000   20.000   1
 CG2      var_3    N1U    "C1'"  "C2'"  "O2'"    -90.000   20.000   3
 CG2      var_4    "C1'"  "C2'"  "C3'"  "C4'"    -30.000   20.000   3
 CG2      var_5    "C2'"  "C3'"  "O3'"  HOC     -179.948   20.000   1
 CG2      var_6    "C2'"  "C3'"  "C4'"  "C5'"   -120.000   20.000   3
 CG2      var_7    "C3'"  "C4'"  "O4'"  "C1'"     30.000   20.000   1
 CG2      var_8    "C3'"  "C4'"  "C5'"  "O5'"   -174.974   20.000   3
 CG2      var_9    "C4'"  "C5'"  "O5'"  HOB     -179.996   20.000   1
 CG2      var_10   "C1'"  "C2'"  "O2'"  P        122.879   20.000   1
 CG2      var_11   "C2'"  "O2'"  P      "OE'"    174.995   20.000   1
 CG2      var_12   "O2'"  P      "OE'"  "CE'"   -174.953   20.000   1
 CG2      var_13   P      "OE'"  "CE'"  "CD'"   -179.992   20.000   1
 CG2      var_14   "OE'"  "CE'"  "CD'"  "OD'"     66.415   20.000   3
 CG2      var_15   "CE'"  "CD'"  "CC'"  "CB'"   -150.000   20.000   3
 CG2      var_16   "CD'"  "CC'"  "OC'"  HOA     -179.961   20.000   1
 CG2      var_17   "CD'"  "CC'"  "CB'"  "OB'"   -120.000   20.000   3
 CG2      var_18   "CC'"  "CB'"  "OB'"  "HO'"    -61.448   20.000   1
 CG2      var_19   "CE'"  "CD'"  "OD'"  "CA'"    150.000   20.000   1
 CG2      var_20   "CD'"  "OD'"  "CA'"  N9G     -150.000   20.000   1
 CG2      var_21   "OD'"  "CA'"  "CB'"  "CC'"     30.000   20.000   3
 CG2      var_22   "OD'"  "CA'"  N9G    C8G       22.052   20.000   1
 CG2      CONST_8  "CA'"  N9G    C4G    N3G        0.000    0.000   0
 CG2      CONST_9  N9G    C4G    C5G    N7G        0.000    0.000   0
 CG2      CONST_10 N9G    C4G    N3G    C2G      180.000    0.000   0
 CG2      CONST_11 C4G    N3G    C2G    N2G      180.000    0.000   0
 CG2      CONST_12 N3G    C2G    N2G    H2G1       0.034    0.000   0
 CG2      CONST_13 "CA'"  N9G    C8G    N7G      180.000    0.000   0
 CG2      CONST_14 N9G    C8G    N7G    C5G        0.000    0.000   0
 CG2      CONST_15 C8G    N7G    C5G    C6G      180.000    0.000   0
 CG2      CONST_16 N7G    C5G    C6G    N1G      180.000    0.000   0
 CG2      CONST_17 C5G    C6G    N1G    C2G        0.000    0.000   0
 CG2      CONST_18 C6G    N1G    C2G    N3G        0.000    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
 CG2      chir_01  "CA'"  N9G    "CB'"  "OD'"     negativ
 CG2      chir_02  "CB'"  "CA'"  "OB'"  "CC'"     positiv
 CG2      chir_03  "CC'"  "CB'"  "OC'"  "CD'"     positiv
 CG2      chir_04  "CD'"  "CC'"  "OD'"  "CE'"     positiv
 CG2      chir_05  "C4'"  "C5'"  "O4'"  "C3'"     negativ
 CG2      chir_06  "C3'"  "C4'"  "O3'"  "C2'"     negativ
 CG2      chir_07  "C2'"  "C3'"  "O2'"  "C1'"     negativ
 CG2      chir_08  "C1'"  "O4'"  "C2'"  N1U       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
 CG2      plan-1    N1G       0.020
 CG2      plan-1    C2G       0.020
 CG2      plan-1    C6G       0.020
 CG2      plan-1    HNG1      0.020
 CG2      plan-1    N3G       0.020
 CG2      plan-1    N2G       0.020
 CG2      plan-1    C4G       0.020
 CG2      plan-1    C5G       0.020
 CG2      plan-1    N9G       0.020
 CG2      plan-1    N7G       0.020
 CG2      plan-1    C8G       0.020
 CG2      plan-1    O6G       0.020
 CG2      plan-1    H8G       0.020
 CG2      plan-1    "CA'"     0.020
 CG2      plan-1    H2G2      0.020
 CG2      plan-1    H2G1      0.020
 CG2      plan-2    N2G       0.020
 CG2      plan-2    C2G       0.020
 CG2      plan-2    H2G1      0.020
 CG2      plan-2    H2G2      0.020
 CG2      plan-3    N1U       0.020
 CG2      plan-3    "C1'"     0.020
 CG2      plan-3    C2U       0.020
 CG2      plan-3    C6U       0.020
 CG2      plan-3    N3U       0.020
 CG2      plan-3    C4U       0.020
 CG2      plan-3    C5U       0.020
 CG2      plan-3    O2U       0.020
 CG2      plan-3    N4C       0.020
 CG2      plan-3    H5U       0.020
 CG2      plan-3    H6U       0.020
 CG2      plan-3    H4C2      0.020
 CG2      plan-3    H4C1      0.020
 CG2      plan-4    N4C       0.020
 CG2      plan-4    C4U       0.020
 CG2      plan-4    H4C1      0.020
 CG2      plan-4    H4C2      0.020
# ------------------------------------------------------