# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Aug  1 11:16:53 2022
#   Inital geometry file: a 160 line input string
#   Ligand name: (2R,3R,4S,5S,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@H](O)[C@@H](NC(C)=O)[C@@H]1O
#
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
 87N  87N  "[(2~{R},3~{R},4~{S},5~{S},6~{R})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate"  ligand  65  38  .  2022-09-16  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_87N
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
 87N  O3   O  O      0  -0.491  28.6816  -13.5250  30.7500
 87N  C3   C  C      0   0.517  29.8600  -13.4825  31.0720
 87N  C3M  C  CH3    0  -0.778  30.9052  -14.2868  30.3402
 87N  N3Q  N  NH1    0  -0.641  30.3267  -12.7179  32.0813
 87N  C3Q  C  CH1    0  -0.164  29.4911  -11.9364  32.9607
 87N  C4Q  C  CH1    0   0.055  29.5258  -12.4684  34.3919
 87N  O4Q  O  OH1    0  -0.661  29.0335  -13.7843  34.3811
 87N  C2Q  C  CH1    0   0.046  29.9324  -10.4713  32.9589
 87N  O2Q  O  OH1    0  -0.660  29.8862   -9.8892  31.6876
 87N  C1Q  C  CH1    0   0.258  29.0280   -9.6708  33.8933
 87N  O5Q  O  O2     0  -0.498  29.0952  -10.2092  35.1798
 87N  C5Q  C  CH1    0   0.017  28.6813  -11.5639  35.3003
 87N  C6Q  C  CH3    0  -0.698  28.8045  -11.9356  36.7641
 87N  O3B  O  O2     0  -0.631  27.7344   -9.7036  33.3783
 87N  PB   P  P      0   1.365  26.6701   -8.4451  33.5160
 87N  O1B  O  OP    -1  -0.784  26.8052   -7.8041  34.8589
 87N  O2B  O  O      0  -0.784  25.3763   -8.9949  33.0149
 87N  O3A  O  O2     0  -0.762  27.3739   -7.4557  32.4007
 87N  PA   P  P      0   1.352  26.6288   -6.2459  31.5686
 87N  O1A  O  OP    -1  -0.786  25.4019   -5.7935  32.2903
 87N  O2A  O  O      0  -0.785  27.7071   -5.2956  31.1578
 87N  O5'  O  O2     0  -0.614  26.0917   -7.0637  30.2490
 87N  C5'  C  CH2    0  -0.183  26.9825   -7.7467  29.3994
 87N  C4'  C  CH1    0  -0.021  26.7697   -9.2439  29.4771
 87N  O4'  O  O2     0  -0.488  25.3816   -9.5340  29.3032
 87N  C3'  C  CH1    0   0.019  27.4796  -10.0416  28.3752
 87N  O3'  O  OH1    0  -0.652  28.7909  -10.4291  28.6759
 87N  C2'  C  CH2    0  -0.531  26.5740  -11.2566  28.2612
 87N  C1'  C  CH1    0   0.199  25.1934  -10.6697  28.5240
 87N  N1   N  NR6    0  -0.564  24.4896  -10.2857  27.2737
 87N  C2   C  CR6    0   0.727  23.8744  -11.2997  26.5827
 87N  O2   O  O      0  -0.482  23.9010  -12.4584  26.9489
 87N  N3   N  NR16   0  -0.732  23.2261  -10.9043  25.4424
 87N  C6   C  CR16   0   0.049  24.4451   -8.9969  26.8236
 87N  C5   C  CR6    0  -0.184  23.8169   -8.6145  25.6960
 87N  C5M  C  CH3    0  -0.706  23.7832   -7.1954  25.2302
 87N  C4   C  CR6    0   0.554  23.1325   -9.6256  24.9189
 87N  O4   O  O      0  -0.451  22.5121   -9.4222  23.8911
 87N  H1   H  HCH3   0   0.265  30.9298  -13.9806  29.2944
 87N  H2   H  HCH3   0   0.248  31.9073  -14.1862  30.7526
 87N  H3   H  HCH3   0   0.264  30.6267  -15.3403  30.3619
 87N  H4   H  HNH1   0   0.399  31.3052  -12.7874  32.3181
 87N  H5   H  HCH1   0   0.266  28.4701  -12.0051  32.5797
 87N  H6   H  HCH1   0   0.210  30.5684  -12.4379  34.7469
 87N  H7   H  HOH1   0   0.455  29.3452  -14.2405  35.1681
 87N  H8   H  HCH1   0   0.210  30.9509  -10.4192  33.3761
 87N  H9   H  HOH1   0   0.448  30.4006  -10.4354  31.0839
 87N  H10  H  HCH1   0   0.239  29.4049   -8.6461  33.9864
 87N  H11  H  HCH1   0   0.218  27.6318  -11.6688  34.9948
 87N  H12  H  HCH3   0   0.232  28.4320  -12.9444  36.9405
 87N  H13  H  HCH3   0   0.227  29.8424  -11.8912  37.0997
 87N  H14  H  HCH3   0   0.245  28.2136  -11.2614  37.3845
 87N  H17  H  HCH2   0   0.226  28.0344   -7.5381  29.6253
 87N  H18  H  HCH2   0   0.218  26.8127   -7.4028  28.3728
 87N  H19  H  HCH1   0   0.238  27.0921   -9.6196  30.4553
 87N  H20  H  HCH1   0   0.222  27.4491   -9.4666  27.4374
 87N  H21  H  HOH1   0   0.456  29.3682   -9.6631  28.5995
 87N  H22  H  HCH2   0   0.263  26.8207  -11.9657  29.0556
 87N  H23  H  HCH2   0   0.279  26.6481  -11.7757  27.3074
 87N  H24  H  HCH1   0   0.274  24.5351  -11.3694  29.0395
 87N  H25  H  HNR6   0   0.421  22.7657  -11.6442  24.9265
 87N  H26  H  HCR6   0   0.319  24.9418   -8.2655  27.4423
 87N  H27  H  HCH3   0   0.246  24.3383   -6.5514  25.9104
 87N  H28  H  HCH3   0   0.244  24.2231   -7.0901  24.2375
 87N  H29  H  HCH3   0   0.244  22.7615   -6.8176  25.1714

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
 87N  O4   C4   double  1.218  0.020  1.218
 87N  C4   N3   single  1.385  0.020  1.385
 87N  C4   C5   single  1.447  0.020  1.447
 87N  N3   C2   single  1.370  0.020  1.370
 87N  C5M  C5   single  1.494  0.020  1.494
 87N  C5   C6   double  1.346  0.020  1.346
 87N  C2   O2   double  1.216  0.020  1.216
 87N  C2   N1   single  1.373  0.020  1.373
 87N  C6   N1   single  1.366  0.020  1.366
 87N  N1   C1'  single  1.485  0.020  1.485
 87N  C2'  C1'  single  1.523  0.020  1.523
 87N  C2'  C3'  single  1.520  0.020  1.520
 87N  C1'  O4'  single  1.390  0.020  1.390
 87N  C3'  O3'  single  1.400  0.020  1.400
 87N  C3'  C4'  single  1.534  0.020  1.534
 87N  O4'  C4'  single  1.429  0.020  1.429
 87N  C4'  C5'  single  1.514  0.020  1.514
 87N  C5'  O5'  single  1.408  0.020  1.408
 87N  O5'  PA   single  1.643  0.020  1.643
 87N  C3M  C3   single  1.508  0.020  1.508
 87N  O2Q  C2Q  single  1.399  0.020  1.399
 87N  O2A  PA   deloc   1.495  0.020  1.495
 87N  PA   O3A  single  1.647  0.020  1.647
 87N  PA   O1A  deloc   1.494  0.020  1.494
 87N  C3   O3   double  1.222  0.020  1.222
 87N  C3   N3Q  single  1.350  0.020  1.350
 87N  O3A  PB   single  1.649  0.020  1.649
 87N  O2B  PB   deloc   1.492  0.020  1.492
 87N  C2Q  C1Q  single  1.527  0.020  1.527
 87N  C2Q  C3Q  single  1.530  0.020  1.530
 87N  N3Q  C3Q  single  1.443  0.020  1.443
 87N  PB   O3B  single  1.654  0.020  1.654
 87N  PB   O1B  deloc   1.494  0.020  1.494
 87N  O3B  C1Q  single  1.393  0.020  1.393
 87N  C1Q  O5Q  single  1.396  0.020  1.396
 87N  C3Q  C4Q  single  1.527  0.020  1.527
 87N  O5Q  C5Q  single  1.422  0.020  1.422
 87N  C4Q  C5Q  single  1.535  0.020  1.535
 87N  C4Q  O4Q  single  1.405  0.020  1.405
 87N  C5Q  C6Q  single  1.515  0.020  1.515
 87N  C3M  H1   single  0.970  0.020  1.090
 87N  C3M  H2   single  0.970  0.020  1.090
 87N  C3M  H3   single  0.970  0.020  1.090
 87N  N3Q  H4   single  0.860  0.020  1.020
 87N  C3Q  H5   single  0.970  0.020  1.090
 87N  C4Q  H6   single  0.970  0.020  1.090
 87N  O4Q  H7   single  0.850  0.020  0.980
 87N  C2Q  H8   single  0.970  0.020  1.090
 87N  O2Q  H9   single  0.850  0.020  0.980
 87N  C1Q  H10  single  0.970  0.020  1.090
 87N  C5Q  H11  single  0.970  0.020  1.090
 87N  C6Q  H12  single  0.970  0.020  1.090
 87N  C6Q  H13  single  0.970  0.020  1.090
 87N  C6Q  H14  single  0.970  0.020  1.090
 87N  C5'  H17  single  0.970  0.020  1.090
 87N  C5'  H18  single  0.970  0.020  1.090
 87N  C4'  H19  single  0.970  0.020  1.090
 87N  C3'  H20  single  0.970  0.020  1.090
 87N  O3'  H21  single  0.850  0.020  0.980
 87N  C2'  H22  single  0.970  0.020  1.090
 87N  C2'  H23  single  0.970  0.020  1.090
 87N  C1'  H24  single  0.970  0.020  1.090
 87N  N3   H25  single  0.860  0.020  1.020
 87N  C6   H26  single  0.930  0.020  1.080
 87N  C5M  H27  single  0.970  0.020  1.090
 87N  C5M  H28  single  0.970  0.020  1.090
 87N  C5M  H29  single  0.970  0.020  1.090

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
 87N  N3Q  C3   C3M  115.17  3.000
 87N  N3Q  C3   O3   123.38  3.000
 87N  C3M  C3   O3   121.45  3.000
 87N  H3   C3M  H2   108.49  3.000
 87N  H3   C3M  H1   107.24  3.000
 87N  H2   C3M  H1   108.47  3.000
 87N  H3   C3M  C3   109.19  3.000
 87N  H2   C3M  C3   113.89  3.000
 87N  H1   C3M  C3   109.35  3.000
 87N  H4   N3Q  C3Q  117.12  3.000
 87N  H4   N3Q  C3   118.15  3.000
 87N  C3Q  N3Q  C3   124.22  3.000
 87N  H5   C3Q  C2Q  109.24  3.000
 87N  H5   C3Q  C4Q  109.05  3.000
 87N  C2Q  C3Q  C4Q  109.15  3.000
 87N  H5   C3Q  N3Q  107.14  3.000
 87N  C4Q  C3Q  N3Q  111.67  3.000
 87N  C2Q  C3Q  N3Q  110.54  3.000
 87N  H6   C4Q  C5Q  108.27  3.000
 87N  H6   C4Q  O4Q  111.10  3.000
 87N  C5Q  C4Q  O4Q  111.32  3.000
 87N  H6   C4Q  C3Q  108.29  3.000
 87N  O4Q  C4Q  C3Q  108.12  3.000
 87N  C5Q  C4Q  C3Q  109.68  3.000
 87N  H7   O4Q  C4Q  108.93  3.000
 87N  H8   C2Q  C1Q  106.92  3.000
 87N  H8   C2Q  O2Q  110.79  3.000
 87N  C1Q  C2Q  O2Q  108.57  3.000
 87N  H8   C2Q  C3Q  108.14  3.000
 87N  C1Q  C2Q  C3Q  109.29  3.000
 87N  O2Q  C2Q  C3Q  112.95  3.000
 87N  H9   O2Q  C2Q  108.42  3.000
 87N  H10  C1Q  O3B  111.89  3.000
 87N  H10  C1Q  O5Q  105.41  3.000
 87N  O3B  C1Q  O5Q  112.10  3.000
 87N  H10  C1Q  C2Q  109.79  3.000
 87N  O5Q  C1Q  C2Q  109.46  3.000
 87N  O3B  C1Q  C2Q  108.15  3.000
 87N  C5Q  O5Q  C1Q  115.56  3.000
 87N  H11  C5Q  C6Q  108.84  3.000
 87N  H11  C5Q  O5Q  110.22  3.000
 87N  C6Q  C5Q  O5Q  106.97  3.000
 87N  H11  C5Q  C4Q  107.75  3.000
 87N  C6Q  C5Q  C4Q  112.48  3.000
 87N  O5Q  C5Q  C4Q  110.56  3.000
 87N  H14  C6Q  H13  108.37  3.000
 87N  H14  C6Q  H12  107.16  3.000
 87N  H13  C6Q  H12  108.23  3.000
 87N  H14  C6Q  C5Q  110.73  3.000
 87N  H13  C6Q  C5Q  111.36  3.000
 87N  H12  C6Q  C5Q  110.84  3.000
 87N  PB   O3B  C1Q  123.30  3.000
 87N  O3A  PB   O2B  111.34  3.000
 87N  O2B  PB   O1B  122.56  3.000
 87N  O3A  PB   O1B  108.18  3.000
 87N  O1B  PB   O3B  110.07  3.000
 87N  O2B  PB   O3B  104.45  3.000
 87N  O3A  PB   O3B   97.22  3.000
 87N  PA   O3A  PB   126.13  3.000
 87N  O5'  PA   O2A  109.37  3.000
 87N  O2A  PA   O1A  122.19  3.000
 87N  O5'  PA   O1A  105.69  3.000
 87N  O1A  PA   O3A  110.49  3.000
 87N  O2A  PA   O3A  106.23  3.000
 87N  O5'  PA   O3A  100.85  3.000
 87N  C5'  O5'  PA   121.29  3.000
 87N  H18  C5'  H17  106.39  3.000
 87N  H18  C5'  C4'  109.67  3.000
 87N  H17  C5'  C4'  108.21  3.000
 87N  H18  C5'  O5'  108.36  3.000
 87N  H17  C5'  O5'  112.99  3.000
 87N  C4'  C5'  O5'  111.09  3.000
 87N  H19  C4'  C3'  109.06  3.000
 87N  H19  C4'  O4'  108.95  3.000
 87N  C3'  C4'  O4'  104.86  3.000
 87N  H19  C4'  C5'  110.08  3.000
 87N  O4'  C4'  C5'  109.34  3.000
 87N  C3'  C4'  C5'  114.34  3.000
 87N  C1'  O4'  C4'  111.45  3.000
 87N  H20  C3'  C2'  109.71  3.000
 87N  H20  C3'  O3'  110.70  3.000
 87N  C2'  C3'  O3'  110.67  3.000
 87N  H20  C3'  C4'  109.12  3.000
 87N  O3'  C3'  C4'  115.02  3.000
 87N  C2'  C3'  C4'  101.18  3.000
 87N  H21  O3'  C3'  108.94  3.000
 87N  H23  C2'  H22  108.19  3.000
 87N  H23  C2'  C1'  113.37  3.000
 87N  H22  C2'  C1'  109.22  3.000
 87N  H23  C2'  C3'  113.99  3.000
 87N  H22  C2'  C3'  109.25  3.000
 87N  C1'  C2'  C3'  102.66  3.000
 87N  H24  C1'  N1   106.13  3.000
 87N  H24  C1'  C2'  112.44  3.000
 87N  N1   C1'  C2'  112.58  3.000
 87N  H24  C1'  O4'  109.94  3.000
 87N  C2'  C1'  O4'  106.79  3.000
 87N  N1   C1'  O4'  108.95  3.000
 87N  C6   N1   C2   121.10  3.000
 87N  C6   N1   C1'  122.47  3.000
 87N  C2   N1   C1'  116.43  3.000
 87N  N3   C2   O2   122.43  3.000
 87N  O2   C2   N1   122.87  3.000
 87N  N3   C2   N1   114.70  3.000
 87N  H25  N3   C4   116.83  3.000
 87N  H25  N3   C2   115.36  3.000
 87N  C4   N3   C2   127.82  3.000
 87N  H26  C6   C5   120.16  3.000
 87N  H26  C6   N1   115.83  3.000
 87N  C5   C6   N1   124.01  3.000
 87N  C4   C5   C5M  119.05  3.000
 87N  C5M  C5   C6   122.79  3.000
 87N  C4   C5   C6   118.16  3.000
 87N  H29  C5M  H28  107.18  3.000
 87N  H29  C5M  H27  107.83  3.000
 87N  H28  C5M  H27  107.80  3.000
 87N  H29  C5M  C5   111.53  3.000
 87N  H28  C5M  C5   111.49  3.000
 87N  H27  C5M  C5   110.82  3.000
 87N  O4   C4   C5   125.27  3.000
 87N  C5   C4   N3   114.21  3.000
 87N  O4   C4   N3   120.51  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
 87N  CONST_01  N3   C2   N1   C1'   180.00   0.0  0
 87N  CONST_02  C4   N3   C2   N1      0.00   0.0  0
 87N  CONST_03  C5   C4   N3   C2      0.00   0.0  0
 87N  CONST_04  C6   N1   C2   N3      0.00   0.0  0
 87N  CONST_05  O2   C2   N1   C1'     0.00   0.0  0
 87N  CONST_06  O4   C4   N3   C2    180.00   0.0  0
 87N  CONST_07  C4   N3   C2   O2    180.00   0.0  0
 87N  CONST_08  C6   N1   C2   O2    180.00   0.0  0
 87N  CONST_09  H25  N3   C2   N1    180.00   0.0  0
 87N  CONST_10  H25  N3   C4   C5    180.00   0.0  0
 87N  CONST_11  H25  N3   C2   O2      0.00   0.0  0
 87N  CONST_12  H25  N3   C4   O4      0.00   0.0  0
 87N  CONST_13  C3Q  N3Q  C3   O3      0.00   0.0  0
 87N  CONST_14  C3Q  N3Q  C3   C3M   180.00   0.0  0
 87N  CONST_15  H4   N3Q  C3   O3    180.00   0.0  0
 87N  CONST_16  H4   N3Q  C3   C3M     0.00   0.0  0
 87N  Var_01    C5M  C5   C6   N1    179.88  30.0  1
 87N  Var_02    C5M  C5   C4   N3   -179.89  30.0  1
 87N  Var_03    H26  C6   N1   C1'    -0.93  30.0  1
 87N  Var_04    H26  C6   N1   C2    178.92  30.0  1
 87N  Var_05    H26  C6   C5   C4   -178.27  30.0  1
 87N  Var_06    O4   C4   C5   C5M    -0.07  30.0  1
 87N  Var_07    H27  C5M  C5   C6      0.93  30.0  3
 87N  Var_08    H28  C5M  C5   C6    121.02  30.0  3
 87N  Var_09    H29  C5M  C5   C6   -119.22  30.0  3
 87N  Var_10    H26  C6   C5   C5M     0.84  30.0  1
 87N  Var_11    H27  C5M  C5   C4   -179.96  30.0  3
 87N  Var_12    H28  C5M  C5   C4    -59.88  30.0  3
 87N  Var_13    H29  C5M  C5   C4     59.89  30.0  3
 87N  Var_14    O3A  PB   O3B  C1Q    73.94  30.0  1
 87N  Var_15    O2B  PB   O3B  C1Q  -171.76  30.0  1
 87N  Var_16    O1B  PB   O3B  C1Q   -38.46  30.0  1
 87N  Var_17    C4'  C5'  O5'  PA    112.88  30.0  2
 87N  Var_18    PA   O3A  PB   O3B   156.37  30.0  1
 87N  Var_19    O5'  PA   O3A  PB    -89.58  30.0  1
 87N  Var_20    O2A  PA   O3A  PB    156.38  30.0  1
 87N  Var_21    O1A  PA   O3A  PB     21.86  30.0  1
 87N  Var_22    PA   O3A  PB   O1B   -89.70  30.0  1
 87N  Var_23    PA   O3A  PB   O2B    47.74  30.0  1
 87N  Var_24    C5'  O5'  PA   O3A   -58.74  30.0  1
 87N  Var_25    C5'  O5'  PA   O1A  -173.82  30.0  1
 87N  Var_26    C5'  O5'  PA   O2A    52.92  30.0  1
 87N  Var_27    H1   C3M  C3   O3     60.68  30.0  3
 87N  Var_28    H2   C3M  C3   O3   -177.79  30.0  3
 87N  Var_29    H3   C3M  C3   O3    -56.37  30.0  3
 87N  Var_30    H1   C3M  C3   N3Q  -118.68  30.0  3
 87N  Var_31    H2   C3M  C3   N3Q     2.85  30.0  3
 87N  Var_32    H3   C3M  C3   N3Q   124.27  30.0  3
 87N  Var_33    H17  C5'  O5'  PA     -8.95  30.0  2
 87N  Var_34    H18  C5'  O5'  PA   -126.58  30.0  2

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
 87N  chir_01  C3Q  C2Q  N3Q  C4Q  negativ
 87N  chir_02  C4Q  O4Q  C5Q  C3Q  positiv
 87N  chir_03  C2Q  O2Q  C3Q  C1Q  positiv
 87N  chir_04  C1Q  O5Q  O3B  C2Q  positiv
 87N  chir_05  C5Q  O5Q  C6Q  C4Q  positiv
 87N  chir_08  C4'  C3'  O4'  C5'  positiv
 87N  chir_09  C3'  O3'  C2'  C4'  negativ
 87N  chir_10  C1'  O4'  N1   C2'  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
 87N  plan-1  O3   0.020
 87N  plan-1  C3   0.020
 87N  plan-1  C3M  0.020
 87N  plan-1  N3Q  0.020
 87N  plan-1  C3Q  0.020
 87N  plan-1  H4   0.020
 87N  plan-2  C1'  0.020
 87N  plan-2  N1   0.020
 87N  plan-2  C2   0.020
 87N  plan-2  O2   0.020
 87N  plan-2  N3   0.020
 87N  plan-2  C6   0.020
 87N  plan-2  C5   0.020
 87N  plan-2  C4   0.020
 87N  plan-2  O4   0.020
 87N  plan-2  H25  0.020

