# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Jul 29 13:07:04 2022
#   Inital geometry file: a 114 line input string
#   Ligand name: 3-(10~{H}-indolo[3,2-b]quinolin-5-ium-11-ylamino)propyl-dimethyl-azanium
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[NH+](C)CCCNc1c2[nH]c3ccccc3c2[nH+]c4ccccc14
#
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
_chem_comp.initial_date
_chem_comp.modified_date
_chem_comp.source
 7V5  7V5  "~{N}-(5~{H}-indolo[3,2-b]quinolin-11-yl)-~{N}',~{N}'-dimethyl-propane-1,3-diamine"
  ligand  48  24  .  2022-09-16  2022-09-16
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_7V5
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 7V5  C4    C  CR16  0  -0.313  32.4464  37.7454  30.9709
 7V5  C6    C  CR16  0  -0.309  30.7322  32.5464  30.1511
 7V5  C7    C  CR16  0  -0.266  30.4384  31.2316  29.8731
 7V5  C8    C  CR16  0  -0.252  31.4134  30.3767  29.3237
 7V5  C3    C  CR16  0  -0.253  33.2260  38.8680  31.0327
 7V5  C4A   C  CR66  0   0.340  32.9874  36.5388  30.4971
 7V5  N5    N  NR16  1  -0.756  32.2001  35.4317  30.4599
 7V5  C5A   C  CR56  0   0.230  32.6754  34.2626  30.0170
 7V5  C6A   C  CR56  0   0.056  32.0244  33.0081  29.8746
 7V5  C9    C  CR16  0  -0.304  32.6915  30.8087  29.0441
 7V5  C9A   C  CR56  0   0.352  32.9920  32.1422  29.3289
 7V5  N10   N  NR15  0  -0.796  34.1584  32.8198  29.1577
 7V5  C10A  C  CR56  0   0.258  33.9967  34.1271  29.5726
 7V5  C11A  C  CR6   0   0.513  34.8810  35.2169  29.5814
 7V5  N11   N  NH1   0  -0.691  36.1471  35.1621  29.1776
 7V5  C1'   C  CH2   0  -0.290  36.9249  33.9821  28.8481
 7V5  C2'   C  CH2   0  -0.526  38.4010  34.3479  28.7908
 7V5  C3'   C  CH2   0  -0.294  39.2222  33.0893  28.5757
 7V5  N4'   N  NT1   1  -0.510  40.6532  33.3739  28.2557
 7V5  C5'A  C  CH3   0  -0.547  41.3367  34.1712  29.3069
 7V5  C5'X  C  CH3   0  -0.537  41.3897  32.1098  27.9930
 7V5  C1A   C  CR66  0  -0.001  34.3320  36.4657  30.0710
 7V5  C1    C  CR16  0  -0.323  35.1043  37.6447  30.1664
 7V5  C2    C  CR16  0  -0.236  34.5694  38.8166  30.6309
 7V5  H4    H  HCR6  0   0.290  31.4107  37.7705  31.2860
 7V5  H6    H  HCR6  0   0.265  29.9845  33.2066  30.5716
 7V5  H7    H  HCR6  0   0.264  29.4491  30.8450  30.0758
 7V5  H8    H  HCR6  0   0.269  31.1503  29.3481  29.1142
 7V5  H3    H  HCR6  0   0.280  32.8047  39.7945  31.3985
 7V5  H5    H  HNR6  0   0.444  31.2402  35.4985  30.7717
 7V5  H9    H  HCR6  0   0.276  33.4330  30.1435  28.6222
 7V5  H11   H  HNH1  0   0.434  36.6499  36.0323  29.1144
 7V5  H1'A  H  HCH2  0   0.273  36.6168  33.5706  27.8826
 7V5  H1'B  H  HCH2  0   0.273  36.7768  33.2216  29.6179
 7V5  H2'A  H  HCH2  0   0.281  38.6824  34.8344  29.7261
 7V5  H2'B  H  HCH2  0   0.281  38.5716  35.0574  27.9759
 7V5  H3'A  H  HCH2  0   0.304  38.8311  32.5097  27.7395
 7V5  H3'B  H  HCH2  0   0.304  39.2176  32.4584  29.4649
 7V5  H5'A  H  HCH3  0   0.299  40.8800  35.1525  29.3801
 7V5  H5'C  H  HCH3  0   0.292  41.2540  33.6439  30.2538
 7V5  H5'B  H  HCH3  0   0.299  42.3813  34.2830  29.0323
 7V5  H5XA  H  HCH3  0   0.296  42.4084  32.3508  27.7050
 7V5  H5XC  H  HCH3  0   0.290  41.3885  31.5131  28.9013
 7V5  H5XB  H  HCH3  0   0.295  40.8965  31.5707  27.1892
 7V5  H1    H  HCR6  0   0.266  36.1483  37.6536  29.8849
 7V5  H2    H  HCR6  0   0.275  35.1878  39.7012  30.6923
 7V5  H10   H  HNT1  0   0.469  40.6729  33.9214  27.3923
 7V5  H12   H  HNR5  0   0.435  34.9723  32.4231  28.7212

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
_chem_comp_bond.value_dist_neutron
 7V5  C5'X  N4'   single    1.486  0.020  1.486
 7V5  N4'   C3'   single    1.494  0.020  1.494
 7V5  N4'   C5'A  single    1.486  0.020  1.486
 7V5  C3'   C2'   single    1.518  0.020  1.518
 7V5  C2'   C1'   single    1.522  0.020  1.522
 7V5  C1'   N11   single    1.451  0.020  1.451
 7V5  C9    C9A   aromatic  1.396  0.020  1.396
 7V5  C9    C8    aromatic  1.378  0.020  1.378
 7V5  N10   C9A   aromatic  1.360  0.020  1.360
 7V5  N10   C10A  aromatic  1.381  0.020  1.381
 7V5  C9A   C6A   aromatic  1.408  0.020  1.408
 7V5  N11   C11A  single    1.330  0.020  1.330
 7V5  C8    C7    aromatic  1.408  0.020  1.408
 7V5  C10A  C11A  aromatic  1.404  0.020  1.404
 7V5  C10A  C5A   aromatic  1.401  0.020  1.401
 7V5  C11A  C1A   aromatic  1.449  0.020  1.449
 7V5  C6A   C5A   aromatic  1.421  0.020  1.421
 7V5  C6A   C6    aromatic  1.400  0.020  1.400
 7V5  C5A   N5    aromatic  1.337  0.020  1.337
 7V5  C7    C6    aromatic  1.376  0.020  1.376
 7V5  C1A   C1    aromatic  1.413  0.020  1.413
 7V5  C1A   C4A   aromatic  1.412  0.020  1.412
 7V5  C1    C2    aromatic  1.369  0.020  1.369
 7V5  N5    C4A   aromatic  1.359  0.020  1.359
 7V5  C4A   C4    aromatic  1.405  0.020  1.405
 7V5  C2    C3    aromatic  1.403  0.020  1.403
 7V5  C4    C3    aromatic  1.368  0.020  1.368
 7V5  C4    H4    single    0.930  0.020  1.080
 7V5  C6    H6    single    0.930  0.020  1.080
 7V5  C7    H7    single    0.930  0.020  1.080
 7V5  C8    H8    single    0.930  0.020  1.080
 7V5  C3    H3    single    0.930  0.020  1.080
 7V5  N5    H5    single    0.860  0.020  1.020
 7V5  C9    H9    single    0.930  0.020  1.080
 7V5  N11   H11   single    0.860  0.020  1.020
 7V5  C1'   H1'A  single    0.970  0.020  1.090
 7V5  C1'   H1'B  single    0.970  0.020  1.090
 7V5  C2'   H2'A  single    0.970  0.020  1.090
 7V5  C2'   H2'B  single    0.970  0.020  1.090
 7V5  C3'   H3'A  single    0.970  0.020  1.090
 7V5  C3'   H3'B  single    0.970  0.020  1.090
 7V5  C5'A  H5'A  single    0.970  0.020  1.090
 7V5  C5'A  H5'C  single    0.970  0.020  1.090
 7V5  C5'A  H5'B  single    0.970  0.020  1.090
 7V5  C5'X  H5XA  single    0.970  0.020  1.090
 7V5  C5'X  H5XC  single    0.970  0.020  1.090
 7V5  C5'X  H5XB  single    0.970  0.020  1.090
 7V5  C1    H1    single    0.930  0.020  1.080
 7V5  C2    H2    single    0.930  0.020  1.080
 7V5  H10   N4'   single    0.890  0.020  1.040
 7V5  H12   N10   single    0.860  0.020  1.020

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
 7V5  H4    C4    C4A   119.11  3.000
 7V5  H4    C4    C3    120.85  3.000
 7V5  C4A   C4    C3    120.04  3.000
 7V5  H6    C6    C6A   120.87  3.000
 7V5  H6    C6    C7    120.93  3.000
 7V5  C6A   C6    C7    118.20  3.000
 7V5  H7    C7    C8    119.31  3.000
 7V5  H7    C7    C6    119.95  3.000
 7V5  C8    C7    C6    120.74  3.000
 7V5  H8    C8    C9    118.97  3.000
 7V5  H8    C8    C7    118.96  3.000
 7V5  C9    C8    C7    122.08  3.000
 7V5  H3    C3    C2    120.08  3.000
 7V5  H3    C3    C4    119.75  3.000
 7V5  C2    C3    C4    120.17  3.000
 7V5  C1A   C4A   N5    120.07  3.000
 7V5  N5    C4A   C4    119.07  3.000
 7V5  C1A   C4A   C4    120.86  3.000
 7V5  H5    N5    C5A   119.81  3.000
 7V5  H5    N5    C4A   119.17  3.000
 7V5  C5A   N5    C4A   121.02  3.000
 7V5  C10A  C5A   C6A   108.37  3.000
 7V5  C6A   C5A   N5    129.96  3.000
 7V5  C10A  C5A   N5    121.66  3.000
 7V5  C9A   C6A   C5A   105.48  3.000
 7V5  C5A   C6A   C6    133.99  3.000
 7V5  C9A   C6A   C6    120.53  3.000
 7V5  H9    C9    C9A   121.28  3.000
 7V5  H9    C9    C8    121.48  3.000
 7V5  C9A   C9    C8    117.24  3.000
 7V5  N10   C9A   C9    129.41  3.000
 7V5  N10   C9A   C6A   109.38  3.000
 7V5  C9    C9A   C6A   121.22  3.000
 7V5  H12   N10   C10A  126.79  3.000
 7V5  H12   N10   C9A   123.55  3.000
 7V5  C10A  N10   C9A   109.47  3.000
 7V5  C11A  C10A  N10   131.54  3.000
 7V5  C11A  C10A  C5A   121.15  3.000
 7V5  N10   C10A  C5A   107.30  3.000
 7V5  C1A   C11A  N11   119.91  3.000
 7V5  C1A   C11A  C10A  115.62  3.000
 7V5  N11   C11A  C10A  124.46  3.000
 7V5  H11   N11   C1'   114.89  3.000
 7V5  H11   N11   C11A  117.30  3.000
 7V5  C1'   N11   C11A  127.78  3.000
 7V5  H1'B  C1'   H1'A  108.79  3.000
 7V5  H1'B  C1'   C2'   108.99  3.000
 7V5  H1'A  C1'   C2'   109.29  3.000
 7V5  H1'B  C1'   N11   109.48  3.000
 7V5  H1'A  C1'   N11   110.82  3.000
 7V5  C2'   C1'   N11   109.45  3.000
 7V5  H2'B  C2'   H2'A  108.01  3.000
 7V5  H2'B  C2'   C3'   110.36  3.000
 7V5  H2'A  C2'   C3'   110.59  3.000
 7V5  H2'B  C2'   C1'   109.59  3.000
 7V5  H2'A  C2'   C1'   108.96  3.000
 7V5  C3'   C2'   C1'   109.31  3.000
 7V5  H3'B  C3'   H3'A  108.45  3.000
 7V5  H3'B  C3'   N4'   106.80  3.000
 7V5  H3'A  C3'   N4'   106.30  3.000
 7V5  H3'B  C3'   C2'   111.22  3.000
 7V5  H3'A  C3'   C2'   110.82  3.000
 7V5  N4'   C3'   C2'   112.99  3.000
 7V5  H10   N4'   C5'X  107.25  3.000
 7V5  H10   N4'   C5'A  107.53  3.000
 7V5  C5'X  N4'   C5'A  110.69  3.000
 7V5  H10   N4'   C3'   107.54  3.000
 7V5  C5'A  N4'   C3'   113.04  3.000
 7V5  C5'X  N4'   C3'   110.52  3.000
 7V5  H5'B  C5'A  H5'C  110.09  3.000
 7V5  H5'B  C5'A  H5'A  109.20  3.000
 7V5  H5'C  C5'A  H5'A  110.36  3.000
 7V5  H5'B  C5'A  N4'   108.60  3.000
 7V5  H5'C  C5'A  N4'   108.72  3.000
 7V5  H5'A  C5'A  N4'   109.84  3.000
 7V5  H5XB  C5'X  H5XC  110.21  3.000
 7V5  H5XB  C5'X  H5XA  109.87  3.000
 7V5  H5XC  C5'X  H5XA  110.16  3.000
 7V5  H5XB  C5'X  N4'   109.14  3.000
 7V5  H5XC  C5'X  N4'   108.58  3.000
 7V5  H5XA  C5'X  N4'   108.84  3.000
 7V5  C1    C1A   C11A  122.33  3.000
 7V5  C1    C1A   C4A   117.19  3.000
 7V5  C11A  C1A   C4A   120.48  3.000
 7V5  H1    C1    C2    117.28  3.000
 7V5  H1    C1    C1A   121.14  3.000
 7V5  C2    C1    C1A   121.58  3.000
 7V5  H2    C2    C1    119.75  3.000
 7V5  H2    C2    C3    120.09  3.000
 7V5  C1    C2    C3    120.16  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
 7V5  CONST_01  C11A  C1A   C4A   C4     180.00   0.0  0
 7V5  CONST_02  C1    C1A   C4A   C4       0.00   0.0  0
 7V5  CONST_03  C5A   N5    C4A   C4     180.00   0.0  0
 7V5  CONST_04  C1    C2    C3    C4       0.00   0.0  0
 7V5  CONST_05  C9    C9A   C6A   C6       0.00   0.0  0
 7V5  CONST_06  N10   C9A   C6A   C6     180.00   0.0  0
 7V5  CONST_07  C10A  C5A   C6A   C6     180.00   0.0  0
 7V5  CONST_08  N5    C5A   C6A   C6       0.00   0.0  0
 7V5  CONST_09  C9    C8    C7    C6       0.00   0.0  0
 7V5  CONST_10  C9A   C9    C8    C7       0.00   0.0  0
 7V5  CONST_11  C9A   C6A   C6    C7       0.00   0.0  0
 7V5  CONST_12  C5A   C6A   C6    C7     180.00   0.0  0
 7V5  CONST_13  N10   C9A   C9    C8     180.00   0.0  0
 7V5  CONST_14  C6A   C9A   C9    C8       0.00   0.0  0
 7V5  CONST_15  C6A   C6    C7    C8       0.00   0.0  0
 7V5  CONST_16  C1A   C1    C2    C3       0.00   0.0  0
 7V5  CONST_17  C1A   C4A   C4    C3       0.00   0.0  0
 7V5  CONST_18  N5    C4A   C4    C3     180.00   0.0  0
 7V5  CONST_19  C10A  C11A  C1A   C4A      0.00   0.0  0
 7V5  CONST_20  C2    C1    C1A   C4A      0.00   0.0  0
 7V5  CONST_21  C10A  C5A   N5    C4A      0.00   0.0  0
 7V5  CONST_22  C6A   C5A   N5    C4A    180.00   0.0  0
 7V5  CONST_23  C2    C3    C4    C4A      0.00   0.0  0
 7V5  CONST_24  N10   C10A  C5A   N5     180.00   0.0  0
 7V5  CONST_25  C11A  C10A  C5A   N5       0.00   0.0  0
 7V5  CONST_26  C9A   C6A   C5A   N5     180.00   0.0  0
 7V5  CONST_27  C11A  C1A   C4A   N5       0.00   0.0  0
 7V5  CONST_28  C1    C1A   C4A   N5     180.00   0.0  0
 7V5  CONST_29  C9A   N10   C10A  C5A      0.00   0.0  0
 7V5  CONST_30  C1A   C11A  C10A  C5A      0.00   0.0  0
 7V5  CONST_31  C9    C9A   C6A   C5A    180.00   0.0  0
 7V5  CONST_32  N10   C9A   C6A   C5A      0.00   0.0  0
 7V5  CONST_33  C1A   C4A   N5    C5A      0.00   0.0  0
 7V5  CONST_34  C10A  N10   C9A   C6A      0.00   0.0  0
 7V5  CONST_35  N10   C10A  C5A   C6A      0.00   0.0  0
 7V5  CONST_36  C11A  C10A  C5A   C6A    180.00   0.0  0
 7V5  CONST_37  C10A  N10   C9A   C9     180.00   0.0  0
 7V5  CONST_38  C11A  C10A  N10   C9A    180.00   0.0  0
 7V5  CONST_39  C10A  C5A   C6A   C9A      0.00   0.0  0
 7V5  CONST_40  C1A   C11A  C10A  N10    180.00   0.0  0
 7V5  CONST_41  C1    C1A   C11A  C10A   180.00   0.0  0
 7V5  CONST_42  C2    C1    C1A   C11A   180.00   0.0  0
 7V5  CONST_43  N11   C11A  C1A   C4A    180.00   0.0  0
 7V5  CONST_44  N11   C11A  C10A  C5A    180.00   0.0  0
 7V5  CONST_45  N11   C11A  C10A  N10      0.00   0.0  0
 7V5  CONST_46  C1    C1A   C11A  N11      0.00   0.0  0
 7V5  CONST_47  H5    N5    C4A   C4       0.00   0.0  0
 7V5  CONST_48  H2    C2    C3    C4     180.00   0.0  0
 7V5  CONST_49  H8    C8    C7    C6     180.00   0.0  0
 7V5  CONST_50  H9    C9    C8    C7     180.00   0.0  0
 7V5  CONST_51  H6    C6    C7    C8     180.00   0.0  0
 7V5  CONST_52  H1    C1    C2    C3     180.00   0.0  0
 7V5  CONST_53  H1    C1    C1A   C4A    180.00   0.0  0
 7V5  CONST_54  H3    C3    C4    C4A    180.00   0.0  0
 7V5  CONST_55  H4    C4    C4A   N5       0.00   0.0  0
 7V5  CONST_56  H12   N10   C10A  C5A    180.00   0.0  0
 7V5  CONST_57  H6    C6    C6A   C5A      0.00   0.0  0
 7V5  CONST_58  H9    C9    C9A   C6A    180.00   0.0  0
 7V5  CONST_59  H12   N10   C9A   C6A    180.00   0.0  0
 7V5  CONST_60  H5    N5    C5A   C6A      0.00   0.0  0
 7V5  CONST_61  H7    C7    C6    C6A    180.00   0.0  0
 7V5  CONST_62  H12   N10   C9A   C9       0.00   0.0  0
 7V5  CONST_63  H7    C7    C8    C9     180.00   0.0  0
 7V5  CONST_64  H8    C8    C9    C9A    180.00   0.0  0
 7V5  CONST_65  H6    C6    C6A   C9A    180.00   0.0  0
 7V5  CONST_66  H9    C9    C9A   N10      0.00   0.0  0
 7V5  CONST_67  H5    N5    C5A   C10A   180.00   0.0  0
 7V5  CONST_68  H12   N10   C10A  C11A     0.00   0.0  0
 7V5  CONST_69  H1    C1    C1A   C11A     0.00   0.0  0
 7V5  CONST_70  H2    C2    C1    C1A    180.00   0.0  0
 7V5  CONST_71  H5    N5    C4A   C1A    180.00   0.0  0
 7V5  CONST_72  H4    C4    C4A   C1A    180.00   0.0  0
 7V5  CONST_73  H3    C3    C2    C1     180.00   0.0  0
 7V5  CONST_74  H4    C4    C3    C2     180.00   0.0  0
 7V5  CONST_75  C1'   N11   C11A  C10A     0.00   0.0  0
 7V5  CONST_76  C1A   C11A  N11   C1'    180.00   0.0  0
 7V5  CONST_77  H11   N11   C11A  C10A   180.00   0.0  0
 7V5  CONST_78  H11   N11   C11A  C1A      0.00   0.0  0
 7V5  Var_01    C2'   C1'   N11   C11A  -165.30  30.0  1
 7V5  Var_02    H1'A  C1'   N11   C11A    74.11  30.0  1
 7V5  Var_03    H1'B  C1'   N11   C11A   -45.89  30.0  1
 7V5  Var_04    C3'   C2'   C1'   N11    174.71  30.0  1
 7V5  Var_05    N4'   C3'   C2'   C1'    169.39  30.0  1
 7V5  Var_06    C5'X  N4'   C3'   C2'   -177.32  30.0  2
 7V5  Var_07    C5'A  N4'   C3'   C2'     57.99  30.0  2
 7V5  Var_08    H2'A  C2'   C1'   N11     53.76  30.0  1
 7V5  Var_09    H2'B  C2'   C1'   N11    -64.22  30.0  1
 7V5  Var_10    H3'A  C3'   C2'   C1'     50.21  30.0  1
 7V5  Var_11    H3'B  C3'   C2'   C1'    -70.51  30.0  1
 7V5  Var_12    H10   N4'   C3'   C2'    -60.55  30.0  2
 7V5  Var_13    H11   N11   C1'   C2'     12.70  30.0  3
 7V5  Var_14    H5XA  C5'X  N4'   C3'    176.60  30.0  3
 7V5  Var_15    H5XC  C5'X  N4'   C3'    -63.47  30.0  3
 7V5  Var_16    H5XB  C5'X  N4'   C3'     56.69  30.0  3
 7V5  Var_17    H5'A  C5'A  N4'   C3'    -64.09  30.0  3
 7V5  Var_18    H5'C  C5'A  N4'   C3'     56.76  30.0  3
 7V5  Var_19    H5'B  C5'A  N4'   C3'    176.55  30.0  3
 7V5  Var_20    H1'A  C1'   C2'   C3'    -63.76  30.0  3
 7V5  Var_21    H1'B  C1'   C2'   C3'     55.01  30.0  3
 7V5  Var_22    H2'A  C2'   C3'   N4'    -70.64  30.0  3
 7V5  Var_23    H2'B  C2'   C3'   N4'     48.80  30.0  3
 7V5  Var_24    H5XA  C5'X  N4'   C5'A   -57.38  30.0  3
 7V5  Var_25    H5XC  C5'X  N4'   C5'A    62.55  30.0  3
 7V5  Var_26    H5XB  C5'X  N4'   C5'A  -177.29  30.0  3
 7V5  Var_27    H3'A  C3'   N4'   C5'A   179.75  30.0  3
 7V5  Var_28    H3'B  C3'   N4'   C5'A   -64.62  30.0  3
 7V5  Var_29    H3'A  C3'   N4'   C5'X   -55.56  30.0  3
 7V5  Var_30    H3'B  C3'   N4'   C5'X    60.08  30.0  3
 7V5  Var_31    H5'A  C5'A  N4'   C5'X   171.31  30.0  3
 7V5  Var_32    H5'C  C5'A  N4'   C5'X   -67.83  30.0  3
 7V5  Var_33    H5'B  C5'A  N4'   C5'X    51.95  30.0  3

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
 7V5  plan-1  C4    0.020
 7V5  plan-1  C6    0.020
 7V5  plan-1  C7    0.020
 7V5  plan-1  C8    0.020
 7V5  plan-1  C3    0.020
 7V5  plan-1  C4A   0.020
 7V5  plan-1  N5    0.020
 7V5  plan-1  C5A   0.020
 7V5  plan-1  C6A   0.020
 7V5  plan-1  C9    0.020
 7V5  plan-1  C9A   0.020
 7V5  plan-1  N10   0.020
 7V5  plan-1  C10A  0.020
 7V5  plan-1  C11A  0.020
 7V5  plan-1  N11   0.020
 7V5  plan-1  C1A   0.020
 7V5  plan-1  C1    0.020
 7V5  plan-1  C2    0.020
 7V5  plan-1  H4    0.020
 7V5  plan-1  H6    0.020
 7V5  plan-1  H7    0.020
 7V5  plan-1  H8    0.020
 7V5  plan-1  H3    0.020
 7V5  plan-1  H5    0.020
 7V5  plan-1  H9    0.020
 7V5  plan-1  H1    0.020
 7V5  plan-1  H2    0.020
 7V5  plan-1  H12   0.020
 7V5  plan-2  C11A  0.020
 7V5  plan-2  N11   0.020
 7V5  plan-2  C1'   0.020
 7V5  plan-2  H11   0.020

