# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Jul 29 08:10:43 2021
#   Inital geometry file: a 171 line input string
#   Ligand name: 4-(2,4-bis{[(3-nitrophenyl)carbonyl]amino}phenoxy)benzene-1,2-dicarboxylic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: OC(=O)c1ccc(Oc2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)cc2NC(=O)c4cccc(c4)[N+]([O-])=O)cc1C(O)=O
#
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
 195  195  '4-(2,4-bis{[(3-nitrophenyl)carbonyl]amino}phenoxy)benzene-1,2-dicarboxylic acid'  ligand  61  43  .  2021-08-03  2022-11-17
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_195
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
 195  C1   C  CR6    0   0.287  26.7847   -2.1061  51.3300
 195  C2   C  CR6    0   0.316  25.4918   -1.8613  51.7860
 195  C3   C  CR16   0  -0.422  24.8182   -2.8549  52.4791
 195  C4   C  CR6    0   0.400  25.4155   -4.0849  52.7411
 195  C5   C  CR16   0  -0.306  26.7228   -4.3093  52.3103
 195  C6   C  CR16   0  -0.307  27.3893   -3.3219  51.6039
 195  O1   O  O2     0  -0.498  27.3817   -1.1690  50.5371
 195  C7   C  CR6    0   0.409  28.5983   -0.6634  50.8516
 195  C8   C  CR16   0  -0.351  29.2791   -0.0420  49.8101
 195  C9   C  CR6    0  -0.019  30.5205    0.5324  50.0334
 195  C10  C  CR6    0  -0.036  31.0916    0.4911  51.3092
 195  C11  C  CR16   0  -0.261  30.4054   -0.1526  52.3305
 195  C12  C  CR16   0  -0.301  29.1623   -0.7241  52.1180
 195  C13  C  C      0   0.473  32.3682    1.1668  51.6620
 195  O2   O  O      0  -0.433  33.2147    0.6692  52.3616
 195  O3   O  OH1    0  -0.586  32.4275    2.4021  51.1898
 195  C14  C  C      0   0.495  31.3029    1.0390  48.8713
 195  O4   O  O      0  -0.427  32.4924    0.8819  48.7611
 195  O5   O  OH1    0  -0.583  30.5434    1.6354  47.9685
 195  N1   N  NH1    0  -0.764  24.8395   -0.6504  51.5038
 195  C15  C  C      0   0.555  25.3310    0.5558  51.8791
 195  C16  C  CR6    0  -0.041  24.5159    1.7404  51.4708
 195  O6   O  O      0  -0.442  26.3597    0.6841  52.5140
 195  C17  C  CR16   0  -0.294  24.6729    2.9086  52.2060
 195  C18  C  CR6    0   0.281  23.9426    4.0279  51.8498
 195  C19  C  CR16   0  -0.262  23.0723    4.0270  50.7689
 195  C20  C  CR16   0  -0.234  22.9404    2.8645  50.0298
 195  C21  C  CR16   0  -0.268  23.6539    1.7266  50.3769
 195  N4   N  N      1   0.330  24.0990    5.2476  52.6334
 195  O7   O  O      0  -0.371  23.4280    6.2042  52.3296
 195  O8   O  O     -1  -0.373  24.8913    5.2384  53.5446
 195  N2   N  NH1    0  -0.766  24.6595   -5.0129  53.4658
 195  C22  C  C      0   0.543  24.8308   -6.3565  53.5237
 195  O9   O  O      0  -0.449  25.6988   -6.9629  52.9246
 195  C23  C  CR6    0  -0.038  23.8441   -7.0813  54.3835
 195  C24  C  CR16   0  -0.321  23.2777   -6.5025  55.5114
 195  C25  C  CR6    0   0.281  22.3905   -7.2470  56.2726
 195  C26  C  CR16   0  -0.261  22.0475   -8.5479  55.9398
 195  C27  C  CR16   0  -0.237  22.6265   -9.1173  54.8173
 195  C28  C  CR16   0  -0.241  23.5274   -8.3970  54.0509
 195  N3   N  N      1   0.330  21.8061   -6.6410  57.4624
 195  O10  O  O     -1  -0.373  22.1263   -5.5096  57.7381
 195  O11  O  O      0  -0.371  21.0309   -7.3018  58.1103
 195  H3   H  HCR6   0   0.290  23.8100   -2.6576  52.8249
 195  H5   H  HCR6   0   0.288  27.2277   -5.2401  52.5081
 195  H6   H  HCR6   0   0.292  28.3928   -3.5183  51.2482
 195  H8   H  HCR6   0   0.289  28.8373   -0.0412  48.8222
 195  H11  H  HCR6   0   0.282  30.8280   -0.1831  53.3259
 195  H12  H  HCR6   0   0.294  28.6448   -1.1944  52.9421
 195  HO3  H  HOH1   0   0.488  33.2750    2.8099  51.4249
 195  HO5  H  HOH1   0   0.492  31.0753    1.8918  47.1995
 195  HN1  H  HNH1   0   0.423  23.8833   -0.7129  51.1897
 195  H17  H  HCR6   0   0.302  25.3515    2.9311  53.0465
 195  H19  H  HCR6   0   0.307  22.5094    4.9082  50.4979
 195  H20  H  HCR6   0   0.289  22.2800    2.8466  49.1746
 195  H21  H  HCR6   0   0.283  23.5451    0.8387  49.7679
 195  HN2  H  HNH1   0   0.430  23.8131   -4.6419  53.8704
 195  H24  H  HCR6   0   0.305  23.5374   -5.4974  55.8137
 195  H26  H  HCR6   0   0.308  21.3491   -9.1158  56.5365
 195  H27  H  HCR6   0   0.288  22.3736  -10.1318  54.5439
 195  H28  H  HCR6   0   0.284  23.9791   -8.8562  53.1821

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
 195  C1   C2   aromatic  1.393  0.020  1.393
 195  C1   C6   aromatic  1.385  0.020  1.385
 195  C1   O1   single    1.365  0.020  1.365
 195  C2   C3   aromatic  1.386  0.020  1.386
 195  C2   N1   single    1.404  0.020  1.404
 195  C3   C4   aromatic  1.392  0.020  1.392
 195  C3   H3   single    0.930  0.020  1.080
 195  C4   C5   aromatic  1.395  0.020  1.395
 195  C4   N2   single    1.399  0.020  1.399
 195  C5   C6   aromatic  1.385  0.020  1.385
 195  C5   H5   single    0.930  0.020  1.080
 195  C6   H6   single    0.930  0.020  1.080
 195  O1   C7   single    1.354  0.020  1.354
 195  C7   C8   aromatic  1.391  0.020  1.391
 195  C7   C12  aromatic  1.388  0.020  1.388
 195  C8   C9   aromatic  1.386  0.020  1.386
 195  C8   H8   single    0.930  0.020  1.080
 195  C9   C10  aromatic  1.398  0.020  1.398
 195  C9   C14  single    1.490  0.020  1.490
 195  C10  C11  aromatic  1.389  0.020  1.389
 195  C10  C13  single    1.487  0.020  1.487
 195  C11  C12  aromatic  1.385  0.020  1.385
 195  C11  H11  single    0.930  0.020  1.080
 195  C12  H12  single    0.930  0.020  1.080
 195  C13  O2   double    1.206  0.020  1.206
 195  C13  O3   single    1.324  0.020  1.324
 195  O3   HO3  single    0.850  0.020  0.980
 195  C14  O4   double    1.205  0.020  1.205
 195  C14  O5   single    1.322  0.020  1.322
 195  O5   HO5  single    0.850  0.020  0.980
 195  N1   C15  single    1.356  0.020  1.356
 195  N1   HN1  single    0.860  0.020  1.020
 195  C15  C16  single    1.495  0.020  1.495
 195  C15  O6   double    1.216  0.020  1.216
 195  C16  C17  aromatic  1.389  0.020  1.389
 195  C16  C21  aromatic  1.393  0.020  1.393
 195  C17  C18  aromatic  1.383  0.020  1.383
 195  C17  H17  single    0.930  0.020  1.080
 195  C18  C19  aromatic  1.388  0.020  1.388
 195  C18  N4   single    1.458  0.020  1.458
 195  C19  C20  aromatic  1.384  0.020  1.384
 195  C19  H19  single    0.930  0.020  1.080
 195  C20  C21  aromatic  1.387  0.020  1.387
 195  C20  H20  single    0.930  0.020  1.080
 195  C21  H21  single    0.930  0.020  1.080
 195  N4   O7   double    1.207  0.020  1.207
 195  N4   O8   single    1.208  0.020  1.208
 195  N2   C22  single    1.356  0.020  1.356
 195  N2   HN2  single    0.860  0.020  1.020
 195  C22  O9   double    1.217  0.020  1.217
 195  C22  C23  single    1.496  0.020  1.496
 195  C23  C24  aromatic  1.388  0.020  1.388
 195  C23  C28  aromatic  1.393  0.020  1.393
 195  C24  C25  aromatic  1.386  0.020  1.386
 195  C24  H24  single    0.930  0.020  1.080
 195  C25  C26  aromatic  1.386  0.020  1.386
 195  C25  N3   single    1.458  0.020  1.458
 195  C26  C27  aromatic  1.385  0.020  1.385
 195  C26  H26  single    0.930  0.020  1.080
 195  C27  C28  aromatic  1.385  0.020  1.385
 195  C27  H27  single    0.930  0.020  1.080
 195  C28  H28  single    0.930  0.020  1.080
 195  N3   O10  single    1.208  0.020  1.208
 195  N3   O11  double    1.207  0.020  1.207

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
 195  O1   C1   C6   121.77  3.000
 195  O1   C1   C2   118.40  3.000
 195  C6   C1   C2   119.65  3.000
 195  N1   C2   C3   119.54  3.000
 195  N1   C2   C1   121.14  3.000
 195  C3   C2   C1   119.26  3.000
 195  H3   C3   C4   119.98  3.000
 195  H3   C3   C2   118.75  3.000
 195  C4   C3   C2   121.26  3.000
 195  N2   C4   C5   124.04  3.000
 195  N2   C4   C3   116.85  3.000
 195  C5   C4   C3   119.09  3.000
 195  H5   C5   C6   118.95  3.000
 195  H5   C5   C4   121.45  3.000
 195  C6   C5   C4   119.60  3.000
 195  H6   C6   C5   118.97  3.000
 195  H6   C6   C1   119.92  3.000
 195  C5   C6   C1   121.10  3.000
 195  C7   O1   C1   120.95  3.000
 195  C12  C7   C8   120.27  3.000
 195  C12  C7   O1   124.10  3.000
 195  C8   C7   O1   115.63  3.000
 195  H8   C8   C9   120.83  3.000
 195  H8   C8   C7   118.95  3.000
 195  C9   C8   C7   120.19  3.000
 195  C14  C9   C10  120.48  3.000
 195  C14  C9   C8   119.06  3.000
 195  C10  C9   C8   120.04  3.000
 195  C13  C10  C11  117.42  3.000
 195  C13  C10  C9   123.62  3.000
 195  C11  C10  C9   118.87  3.000
 195  H11  C11  C12  118.71  3.000
 195  H11  C11  C10  119.78  3.000
 195  C12  C11  C10  121.48  3.000
 195  H12  C12  C11  119.50  3.000
 195  H12  C12  C7   121.35  3.000
 195  C11  C12  C7   119.14  3.000
 195  O3   C13  O2   124.10  3.000
 195  O3   C13  C10  112.21  3.000
 195  O2   C13  C10  123.57  3.000
 195  HO3  O3   C13  110.19  3.000
 195  O5   C14  O4   124.30  3.000
 195  O5   C14  C9   112.61  3.000
 195  O4   C14  C9   123.06  3.000
 195  HO5  O5   C14  110.23  3.000
 195  HN1  N1   C15  119.03  3.000
 195  HN1  N1   C2   116.72  3.000
 195  C15  N1   C2   122.91  3.000
 195  O6   C15  C16  121.36  3.000
 195  O6   C15  N1   123.05  3.000
 195  C16  C15  N1   115.58  3.000
 195  C21  C16  C17  119.60  3.000
 195  C21  C16  C15  122.97  3.000
 195  C17  C16  C15  117.40  3.000
 195  H17  C17  C18  121.00  3.000
 195  H17  C17  C16  120.01  3.000
 195  C18  C17  C16  118.98  3.000
 195  N4   C18  C19  119.10  3.000
 195  N4   C18  C17  118.81  3.000
 195  C19  C18  C17  122.09  3.000
 195  H19  C19  C20  120.11  3.000
 195  H19  C19  C18  121.45  3.000
 195  C20  C19  C18  118.44  3.000
 195  H20  C20  C21  119.92  3.000
 195  H20  C20  C19  119.66  3.000
 195  C21  C20  C19  120.42  3.000
 195  H21  C21  C20  118.72  3.000
 195  H21  C21  C16  120.82  3.000
 195  C20  C21  C16  120.44  3.000
 195  O8   N4   O7   124.10  3.000
 195  O8   N4   C18  118.00  3.000
 195  O7   N4   C18  117.90  3.000
 195  HN2  N2   C22  116.96  3.000
 195  HN2  N2   C4   114.65  3.000
 195  C22  N2   C4   127.67  3.000
 195  C23  C22  O9   120.80  3.000
 195  C23  C22  N2   114.92  3.000
 195  O9   C22  N2   124.27  3.000
 195  C28  C23  C24  119.66  3.000
 195  C28  C23  C22  118.04  3.000
 195  C24  C23  C22  122.27  3.000
 195  H24  C24  C25  119.97  3.000
 195  H24  C24  C23  121.11  3.000
 195  C25  C24  C23  118.90  3.000
 195  N3   C25  C26  119.15  3.000
 195  N3   C25  C24  118.79  3.000
 195  C26  C25  C24  122.06  3.000
 195  H26  C26  C27  120.12  3.000
 195  H26  C26  C25  121.40  3.000
 195  C27  C26  C25  118.48  3.000
 195  H27  C27  C28  120.03  3.000
 195  H27  C27  C26  119.53  3.000
 195  C28  C27  C26  120.43  3.000
 195  H28  C28  C27  119.69  3.000
 195  H28  C28  C23  119.85  3.000
 195  C27  C28  C23  120.45  3.000
 195  O11  N3   O10  124.09  3.000
 195  O11  N3   C25  117.90  3.000
 195  O10  N3   C25  118.00  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
 195  CONST_01  C4   C3   C2   C1      0.00   0.0  0
 195  CONST_02  C4   C5   C6   C1      0.00   0.0  0
 195  CONST_03  C5   C6   C1   C2      0.00   0.0  0
 195  CONST_04  C5   C4   C3   C2      0.00   0.0  0
 195  CONST_05  C6   C1   C2   C3      0.00   0.0  0
 195  CONST_06  C6   C5   C4   C3      0.00   0.0  0
 195  CONST_07  C10  C9   C8   C7      0.00   0.0  0
 195  CONST_08  C10  C11  C12  C7      0.00   0.0  0
 195  CONST_09  C11  C12  C7   C8      0.00   0.0  0
 195  CONST_10  C11  C10  C9   C8      0.00   0.0  0
 195  CONST_11  C12  C7   C8   C9      0.00   0.0  0
 195  CONST_12  C12  C11  C10  C9      0.00   0.0  0
 195  CONST_13  C19  C18  C17  C16     0.00   0.0  0
 195  CONST_14  C19  C20  C21  C16     0.00   0.0  0
 195  CONST_15  C20  C21  C16  C17     0.00   0.0  0
 195  CONST_16  C20  C19  C18  C17     0.00   0.0  0
 195  CONST_17  C21  C16  C17  C18     0.00   0.0  0
 195  CONST_18  C21  C20  C19  C18     0.00   0.0  0
 195  CONST_19  C26  C25  C24  C23     0.00   0.0  0
 195  CONST_20  C26  C27  C28  C23     0.00   0.0  0
 195  CONST_21  C27  C28  C23  C24     0.00   0.0  0
 195  CONST_22  C27  C26  C25  C24     0.00   0.0  0
 195  CONST_23  C28  C23  C24  C25     0.00   0.0  0
 195  CONST_24  C28  C27  C26  C25     0.00   0.0  0
 195  CONST_25  N2   C4   C3   C2    180.00   0.0  0
 195  CONST_26  O1   C1   C2   C3    180.00   0.0  0
 195  CONST_27  N1   C2   C3   C4    180.00   0.0  0
 195  CONST_28  O1   C1   C6   C5    180.00   0.0  0
 195  CONST_29  N1   C2   C1   C6    180.00   0.0  0
 195  CONST_30  N2   C4   C5   C6    180.00   0.0  0
 195  CONST_31  C9   C8   C7   O1    180.00   0.0  0
 195  CONST_32  C11  C12  C7   O1    180.00   0.0  0
 195  CONST_33  C14  C9   C8   C7    180.00   0.0  0
 195  CONST_34  C13  C10  C9   C8    180.00   0.0  0
 195  CONST_35  C14  C9   C10  C11   180.00   0.0  0
 195  CONST_36  C13  C10  C11  C12   180.00   0.0  0
 195  CONST_37  C18  C17  C16  C15   180.00   0.0  0
 195  CONST_38  C20  C21  C16  C15   180.00   0.0  0
 195  CONST_39  N4   C18  C17  C16   180.00   0.0  0
 195  CONST_40  N4   C18  C19  C20   180.00   0.0  0
 195  CONST_41  C25  C24  C23  C22   180.00   0.0  0
 195  CONST_42  C27  C28  C23  C22   180.00   0.0  0
 195  CONST_43  N3   C25  C24  C23   180.00   0.0  0
 195  CONST_44  N3   C25  C26  C27   180.00   0.0  0
 195  CONST_45  H3   C3   C2   C1    180.00   0.0  0
 195  CONST_46  H5   C5   C6   C1    180.00   0.0  0
 195  CONST_47  H6   C6   C1   C2    180.00   0.0  0
 195  CONST_48  H11  C11  C12  C7    180.00   0.0  0
 195  CONST_49  H12  C12  C7   C8    180.00   0.0  0
 195  CONST_50  H8   C8   C9   C10   180.00   0.0  0
 195  CONST_51  H20  C20  C21  C16   180.00   0.0  0
 195  CONST_52  H21  C21  C16  C17   180.00   0.0  0
 195  CONST_53  H19  C19  C18  C17   180.00   0.0  0
 195  CONST_54  H17  C17  C18  C19   180.00   0.0  0
 195  CONST_55  H27  C27  C28  C23   180.00   0.0  0
 195  CONST_56  H28  C28  C23  C24   180.00   0.0  0
 195  CONST_57  H26  C26  C25  C24   180.00   0.0  0
 195  CONST_58  H24  C24  C25  C26   180.00   0.0  0
 195  CONST_59  C16  C15  N1   C2    180.00   0.0  0
 195  CONST_60  C23  C22  N2   C4    180.00   0.0  0
 195  CONST_65  O7   N4   C18  C17   180.00   0.0  0
 195  CONST_66  O8   N4   C18  C17     0.00   0.0  0
 195  CONST_67  O7   N4   C18  C19     0.00   0.0  0
 195  CONST_68  O8   N4   C18  C19   180.00   0.0  0
 195  CONST_69  O10  N3   C25  C24     0.00   0.0  0
 195  CONST_70  O11  N3   C25  C24   180.00   0.0  0
 195  CONST_71  O10  N3   C25  C26   180.00   0.0  0
 195  CONST_72  O11  N3   C25  C26     0.00   0.0  0
 195  CONST_74  HN2  N2   C4   C3      0.00   0.0  0
 195  CONST_75  O6   C15  N1   C2      0.00   0.0  0
 195  CONST_76  O9   C22  N2   C4      0.00   0.0  0
 195  CONST_77  HO5  O5   C14  C9    180.00   0.0  0
 195  CONST_78  HO3  O3   C13  C10   180.00   0.0  0
 195  Var_01    C8   C7   O1   C1    161.51  30.0  2
 195  Var_02    O4   C14  C9   C8   -138.72  30.0  2
 195  Var_03    O2   C13  C10  C9   -138.82  30.0  2
 195  Var_04    C17  C16  C15  N1    156.99  30.0  2
 195  Var_05    C24  C23  C22  N2    -31.34  30.0  2

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
 195  plan-1   C1   0.020
 195  plan-1   C2   0.020
 195  plan-1   C3   0.020
 195  plan-1   C4   0.020
 195  plan-1   C5   0.020
 195  plan-1   C6   0.020
 195  plan-1   O1   0.020
 195  plan-1   N1   0.020
 195  plan-1   N2   0.020
 195  plan-1   H3   0.020
 195  plan-1   H5   0.020
 195  plan-1   H6   0.020
 195  plan-2   C25  0.020
 195  plan-2   N3   0.020
 195  plan-2   O10  0.020
 195  plan-2   O11  0.020
 195  plan-3   C10  0.020
 195  plan-3   C13  0.020
 195  plan-3   O2   0.020
 195  plan-3   O3   0.020
 195  plan-3   HO3  0.020
 195  plan-4   C9   0.020
 195  plan-4   C14  0.020
 195  plan-4   O4   0.020
 195  plan-4   O5   0.020
 195  plan-4   HO5  0.020
 195  plan-5   O1   0.020
 195  plan-5   C7   0.020
 195  plan-5   C8   0.020
 195  plan-5   C9   0.020
 195  plan-5   C10  0.020
 195  plan-5   C11  0.020
 195  plan-5   C12  0.020
 195  plan-5   C13  0.020
 195  plan-5   C14  0.020
 195  plan-5   H8   0.020
 195  plan-5   H11  0.020
 195  plan-5   H12  0.020
 195  plan-6   C15  0.020
 195  plan-6   C16  0.020
 195  plan-6   C17  0.020
 195  plan-6   C18  0.020
 195  plan-6   C19  0.020
 195  plan-6   C20  0.020
 195  plan-6   C21  0.020
 195  plan-6   N4   0.020
 195  plan-6   H17  0.020
 195  plan-6   H19  0.020
 195  plan-6   H20  0.020
 195  plan-6   H21  0.020
 195  plan-7   C22  0.020
 195  plan-7   C23  0.020
 195  plan-7   C24  0.020
 195  plan-7   C25  0.020
 195  plan-7   C26  0.020
 195  plan-7   C27  0.020
 195  plan-7   C28  0.020
 195  plan-7   N3   0.020
 195  plan-7   H24  0.020
 195  plan-7   H26  0.020
 195  plan-7   H27  0.020
 195  plan-7   H28  0.020
 195  plan-8   C2   0.020
 195  plan-8   N1   0.020
 195  plan-8   C15  0.020
 195  plan-8   C16  0.020
 195  plan-8   O6   0.020
 195  plan-8   HN1  0.020
 195  plan-9   C4   0.020
 195  plan-9   N2   0.020
 195  plan-9   C22  0.020
 195  plan-9   O9   0.020
 195  plan-9   C23  0.020
 195  plan-9   HN2  0.020
 195  plan-10  C18  0.020
 195  plan-10  N4   0.020
 195  plan-10  O7   0.020
 195  plan-10  O8   0.020

