# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Mar 18 09:32:52 2022
#   Inital geometry file: a 135 line input string
#   Ligand name: 4-[2'-(4-hydroxyphenyl)-1H,3'H-2,5'-bibenzimidazol-6-yl]-1-methylpiperazin-1-ium
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[NH+]1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(O)cc6
#
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
 HOE  HOE  4-[2'-(4-hydroxyphenyl)-1H,3'H-2,5'-bibenzimidazol-6-yl]-1-methylpiperazin-1-ium  ligand  57  32  .  2022-03-18  2022-03-18
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_HOE
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
 HOE  C1    C  CR16  0  -0.321   -8.5244   1.6863  -0.1028
 HOE  C2    C  CR16  0  -0.287   -7.1746   1.3926  -0.0967
 HOE  C3    C  CR6   0  -0.012   -6.7199   0.0862   0.0940
 HOE  C4    C  CR16  0  -0.271   -7.6667  -0.9221   0.2801
 HOE  C5    C  CR16  0  -0.368   -9.0193  -0.6404   0.2759
 HOE  C6    C  CR6   0   0.358   -9.4597   0.6691   0.0834
 HOE  C7    C  CR5   0   0.493   -5.3024  -0.2498   0.1056
 HOE  C8    C  CR56  0   0.377   -3.1191   0.0145  -0.0176
 HOE  C9    C  CR16  0  -0.363   -1.8109   0.4452  -0.1381
 HOE  C10   C  CR6   0  -0.005   -0.8124  -0.5142   0.0091
 HOE  C11   C  CR16  0  -0.312   -1.1451  -1.8603   0.2608
 HOE  C12   C  CR16  0  -0.326   -2.4561  -2.2777   0.3763
 HOE  C13   C  CR56  0   0.159   -3.4647  -1.3251   0.2368
 HOE  C14   C  CR5   0   0.472    0.5788  -0.0897  -0.1150
 HOE  C15   C  CR56  0   0.366    2.7779  -0.1513   0.0407
 HOE  C16   C  CR16  0  -0.400    4.1174  -0.4459   0.2359
 HOE  C17   C  CR6   0   0.341    5.0493   0.5204  -0.1403
 HOE  C18   C  CR16  0  -0.353    4.6107   1.7329  -0.7124
 HOE  C19   C  CR16  0  -0.335    3.2696   2.0009  -0.9234
 HOE  C20   C  CR56  0   0.139    2.3322   1.0502  -0.5346
 HOE  C21   C  CH2   0  -0.330    6.8338  -0.0733   1.3978
 HOE  C22   C  CH2   0  -0.320    8.1828  -0.7555   1.3949
 HOE  C23   C  CH2   0  -0.314    8.7357   0.4579  -0.6523
 HOE  C24   C  CH2   0  -0.339    7.3713   1.1116  -0.6084
 HOE  C25   C  CH3   0  -0.532   10.5375  -0.5288   0.7033
 HOE  N1    N  NR15  0  -0.743   -4.3174   0.6688  -0.0946
 HOE  N2    N  N     0  -0.485   -4.8238  -1.4544   0.3059
 HOE  N3    N  NR15  0  -0.742    1.6333  -0.8568   0.2910
 HOE  N4    N  N     0  -0.481    0.9629   1.0553  -0.6158
 HOE  N5    N  NT    0  -0.519    6.4175   0.2433   0.0428
 HOE  N6    N  NT1   1  -0.517    9.1975   0.1020   0.7187
 HOE  O1    O  OH1   0  -0.620  -10.7587   1.0042   0.0683
 HOE  H1    H  HCR6  0   0.274   -8.8586   2.7050  -0.2520
 HOE  H2    H  HCR6  0   0.244   -6.4822   2.2122  -0.2412
 HOE  H4    H  HCR6  0   0.264   -7.3372  -1.9414   0.4306
 HOE  H5    H  HCR6  0   0.279   -9.7341  -1.4420   0.4212
 HOE  H9    H  HCR6  0   0.268   -1.5615   1.4796  -0.3320
 HOE  H11   H  HCR6  0   0.240   -0.3649  -2.6052   0.3482
 HOE  H12   H  HCR6  0   0.262   -2.6925  -3.3169   0.5630
 HOE  H16   H  HCR6  0   0.272    4.4292  -1.3974   0.6469
 HOE  H18   H  HCR6  0   0.269    5.3301   2.4899  -0.9924
 HOE  H19   H  HCR6  0   0.256    2.9612   2.9379  -1.3687
 HOE  H212  H  HCH2  0   0.292    6.1321  -0.7606   1.8657
 HOE  H221  H  HCH2  0   0.298    8.1469  -1.6985   0.8505
 HOE  H222  H  HCH2  0   0.312    8.5282  -0.9402   2.4101
 HOE  H231  H  HCH2  0   0.312    9.4695   1.1347  -1.0850
 HOE  H232  H  HCH2  0   0.298    8.7158  -0.4647  -1.2314
 HOE  H241  H  HCH2  0   0.244    7.4520   2.0971  -0.1244
 HOE  H242  H  HCH2  0   0.292    7.0745   1.2834  -1.6428
 HOE  H251  H  HCH3  0   0.295   11.2437   0.1604   0.2504
 HOE  H252  H  HCH3  0   0.296   10.8347  -0.7478   1.7243
 HOE  H253  H  HCH3  0   0.288   10.4879  -1.4464   0.1237
 HOE  HN1   H  HNR5  0   0.422   -4.4354   1.6551  -0.2604
 HOE  HN3   H  HNR5  0   0.417    1.5828  -1.7493   0.7552
 HOE  HN6   H  HNT1  0   0.465    9.2768   0.9690   1.2552
 HOE  HO1   H  HOH1  0   0.478  -11.3142   0.2288   0.2078
 HOE  H211  H  HCH2  0   0.251    6.8703   0.8268   2.0300

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
 HOE  C1   C2    aromatic  1.381  0.020  1.381
 HOE  C1   C6    aromatic  1.394  0.020  1.394
 HOE  C1   H1    single    0.930  0.020  1.080
 HOE  C2   C3    aromatic  1.396  0.020  1.396
 HOE  C2   H2    single    0.930  0.020  1.080
 HOE  C3   C4    aromatic  1.396  0.020  1.396
 HOE  C3   C7    single    1.457  0.020  1.457
 HOE  C4   C5    aromatic  1.382  0.020  1.382
 HOE  C4   H4    single    0.930  0.020  1.080
 HOE  C5   C6    aromatic  1.395  0.020  1.395
 HOE  C5   H5    single    0.930  0.020  1.080
 HOE  C6   O1    single    1.342  0.020  1.342
 HOE  C7   N1    aromatic  1.362  0.020  1.362
 HOE  C7   N2    aromatic  1.312  0.020  1.312
 HOE  C8   C9    aromatic  1.382  0.020  1.382
 HOE  C8   C13   aromatic  1.407  0.020  1.407
 HOE  C8   N1    aromatic  1.367  0.020  1.367
 HOE  C9   C10   aromatic  1.393  0.020  1.393
 HOE  C9   H9    single    0.930  0.020  1.080
 HOE  C10  C11   aromatic  1.409  0.020  1.409
 HOE  C10  C14   single    1.460  0.020  1.460
 HOE  C11  C12   aromatic  1.381  0.020  1.381
 HOE  C11  H11   single    0.930  0.020  1.080
 HOE  C12  C13   aromatic  1.394  0.020  1.394
 HOE  C12  H12   single    0.930  0.020  1.080
 HOE  C13  N2    aromatic  1.367  0.020  1.367
 HOE  C14  N3    aromatic  1.366  0.020  1.366
 HOE  C14  N4    aromatic  1.307  0.020  1.307
 HOE  C15  C16   aromatic  1.385  0.020  1.385
 HOE  C15  C20   aromatic  1.405  0.020  1.405
 HOE  C15  N3    aromatic  1.368  0.020  1.368
 HOE  C16  C17   aromatic  1.394  0.020  1.394
 HOE  C16  H16   single    0.930  0.020  1.080
 HOE  C17  C18   aromatic  1.411  0.020  1.411
 HOE  C17  N5    single    1.408  0.020  1.408
 HOE  C18  C19   aromatic  1.384  0.020  1.384
 HOE  C18  H18   single    0.930  0.020  1.080
 HOE  C19  C20   aromatic  1.391  0.020  1.391
 HOE  C19  H19   single    0.930  0.020  1.080
 HOE  C20  N4    aromatic  1.372  0.020  1.372
 HOE  C21  C22   single    1.512  0.020  1.512
 HOE  C21  N5    single    1.452  0.020  1.452
 HOE  C21  H211  single    0.970  0.020  1.090
 HOE  C21  H212  single    0.970  0.020  1.090
 HOE  C22  N6    single    1.491  0.020  1.491
 HOE  C22  H221  single    0.970  0.020  1.090
 HOE  C22  H222  single    0.970  0.020  1.090
 HOE  C23  C24   single    1.514  0.020  1.514
 HOE  C23  N6    single    1.490  0.020  1.490
 HOE  C23  H231  single    0.970  0.020  1.090
 HOE  C23  H232  single    0.970  0.020  1.090
 HOE  C24  N5    single    1.445  0.020  1.445
 HOE  C24  H241  single    0.970  0.020  1.090
 HOE  C24  H242  single    0.970  0.020  1.090
 HOE  C25  N6    single    1.481  0.020  1.481
 HOE  C25  H251  single    0.970  0.020  1.090
 HOE  C25  H252  single    0.970  0.020  1.090
 HOE  C25  H253  single    0.970  0.020  1.090
 HOE  N1   HN1   single    0.860  0.020  1.020
 HOE  N3   HN3   single    0.860  0.020  1.020
 HOE  N6   HN6   single    0.890  0.020  1.040
 HOE  O1   HO1   single    0.850  0.020  0.980

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
 HOE  H1    C1   C6    119.86  3.000
 HOE  H1    C1   C2    120.16  3.000
 HOE  C6    C1   C2    119.98  3.000
 HOE  H2    C2   C3    121.21  3.000
 HOE  H2    C2   C1    117.61  3.000
 HOE  C3    C2   C1    121.18  3.000
 HOE  C7    C3   C4    119.50  3.000
 HOE  C7    C3   C2    122.26  3.000
 HOE  C4    C3   C2    118.24  3.000
 HOE  H4    C4   C5    119.39  3.000
 HOE  H4    C4   C3    119.52  3.000
 HOE  C5    C4   C3    121.09  3.000
 HOE  H5    C5   C6    120.30  3.000
 HOE  H5    C5   C4    119.64  3.000
 HOE  C6    C5   C4    120.06  3.000
 HOE  O1    C6   C5    122.81  3.000
 HOE  O1    C6   C1    117.76  3.000
 HOE  C5    C6   C1    119.44  3.000
 HOE  N2    C7   N1    112.21  3.000
 HOE  N2    C7   C3    124.62  3.000
 HOE  N1    C7   C3    123.17  3.000
 HOE  N1    C8   C13   104.51  3.000
 HOE  N1    C8   C9    132.47  3.000
 HOE  C13   C8   C9    123.02  3.000
 HOE  H9    C9   C10   120.83  3.000
 HOE  H9    C9   C8    122.12  3.000
 HOE  C10   C9   C8    117.05  3.000
 HOE  C14   C10  C11   121.20  3.000
 HOE  C14   C10  C9    118.30  3.000
 HOE  C11   C10  C9    120.51  3.000
 HOE  H11   C11  C12   118.01  3.000
 HOE  H11   C11  C10   120.11  3.000
 HOE  C12   C11  C10   121.86  3.000
 HOE  H12   C12  C13   121.03  3.000
 HOE  H12   C12  C11   120.81  3.000
 HOE  C13   C12  C11   118.16  3.000
 HOE  N2    C13  C12   130.50  3.000
 HOE  N2    C13  C8    110.09  3.000
 HOE  C12   C13  C8    119.41  3.000
 HOE  N4    C14  N3    112.27  3.000
 HOE  N4    C14  C10   124.56  3.000
 HOE  N3    C14  C10   123.17  3.000
 HOE  N3    C15  C20   104.51  3.000
 HOE  N3    C15  C16   132.36  3.000
 HOE  C20   C15  C16   123.12  3.000
 HOE  H16   C16  C17   121.28  3.000
 HOE  H16   C16  C15   121.26  3.000
 HOE  C17   C16  C15   117.45  3.000
 HOE  N5    C17  C18   121.61  3.000
 HOE  N5    C17  C16   118.56  3.000
 HOE  C18   C17  C16   119.82  3.000
 HOE  H18   C18  C19   118.02  3.000
 HOE  H18   C18  C17   120.00  3.000
 HOE  C19   C18  C17   121.98  3.000
 HOE  H19   C19  C20   120.98  3.000
 HOE  H19   C19  C18   120.43  3.000
 HOE  C20   C19  C18   118.58  3.000
 HOE  N4    C20  C19   130.83  3.000
 HOE  N4    C20  C15   110.13  3.000
 HOE  C19   C20  C15   119.03  3.000
 HOE  H212  C21  H211  106.92  3.000
 HOE  H212  C21  N5    110.73  3.000
 HOE  H211  C21  N5    111.54  3.000
 HOE  H212  C21  C22   106.94  3.000
 HOE  H211  C21  C22   109.91  3.000
 HOE  N5    C21  C22   110.63  3.000
 HOE  H222  C22  H221  109.25  3.000
 HOE  H222  C22  N6    107.75  3.000
 HOE  H221  C22  N6    107.08  3.000
 HOE  H222  C22  C21   110.98  3.000
 HOE  H221  C22  C21   111.23  3.000
 HOE  N6    C22  C21   110.41  3.000
 HOE  H232  C23  H231  109.12  3.000
 HOE  H232  C23  N6    107.01  3.000
 HOE  H231  C23  N6    107.79  3.000
 HOE  H232  C23  C24   111.39  3.000
 HOE  H231  C23  C24   110.54  3.000
 HOE  N6    C23  C24   110.85  3.000
 HOE  H242  C24  H241  107.23  3.000
 HOE  H242  C24  N5    110.05  3.000
 HOE  H241  C24  N5    112.85  3.000
 HOE  H242  C24  C23   106.62  3.000
 HOE  H241  C24  C23   109.46  3.000
 HOE  N5    C24  C23   110.40  3.000
 HOE  H253  C25  H252  110.11  3.000
 HOE  H253  C25  H251  110.08  3.000
 HOE  H252  C25  H251  110.01  3.000
 HOE  H253  C25  N6    108.90  3.000
 HOE  H252  C25  N6    108.89  3.000
 HOE  H251  C25  N6    108.81  3.000
 HOE  HN1   N1   C8    125.49  3.000
 HOE  HN1   N1   C7    126.88  3.000
 HOE  C8    N1   C7    107.63  3.000
 HOE  C13   N2   C7    105.56  3.000
 HOE  HN3   N3   C15   125.68  3.000
 HOE  HN3   N3   C14   126.58  3.000
 HOE  C15   N3   C14   107.59  3.000
 HOE  C20   N4   C14   105.51  3.000
 HOE  C24   N5   C21   111.24  3.000
 HOE  C24   N5   C17   117.69  3.000
 HOE  C21   N5   C17   116.28  3.000
 HOE  HN6   N6   C25   107.24  3.000
 HOE  HN6   N6   C23   107.71  3.000
 HOE  C25   N6   C23   111.88  3.000
 HOE  HN6   N6   C22   107.61  3.000
 HOE  C25   N6   C22   112.06  3.000
 HOE  C23   N6   C22   110.11  3.000
 HOE  HO1   O1   C6    110.81  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
 HOE  CONST_01  C4   C3   C2   C1      0.00   0.0  0
 HOE  CONST_02  C7   C3   C2   C1    180.00   0.0  0
 HOE  CONST_03  C4   C5   C6   C1      0.00   0.0  0
 HOE  CONST_04  C5   C6   C1   C2      0.00   0.0  0
 HOE  CONST_05  C5   C4   C3   C2      0.00   0.0  0
 HOE  CONST_06  N1   C7   C3   C2      0.00   0.0  0
 HOE  CONST_07  N2   C7   C3   C2    180.00   0.0  0
 HOE  CONST_08  C6   C1   C2   C3      0.00   0.0  0
 HOE  CONST_09  C6   C5   C4   C3      0.00   0.0  0
 HOE  CONST_10  C8   N1   C7   C3    180.00   0.0  0
 HOE  CONST_11  C13  N2   C7   C3    180.00   0.0  0
 HOE  CONST_12  N1   C7   C3   C4    180.00   0.0  0
 HOE  CONST_13  N2   C7   C3   C4      0.00   0.0  0
 HOE  CONST_14  C7   C3   C4   C5    180.00   0.0  0
 HOE  CONST_15  C9   C8   N1   C7    180.00   0.0  0
 HOE  CONST_16  C13  C8   N1   C7      0.00   0.0  0
 HOE  CONST_17  C8   C13  N2   C7      0.00   0.0  0
 HOE  CONST_18  C12  C13  N2   C7    180.00   0.0  0
 HOE  CONST_19  C11  C10  C9   C8      0.00   0.0  0
 HOE  CONST_20  C14  C10  C9   C8    180.00   0.0  0
 HOE  CONST_21  C11  C12  C13  C8      0.00   0.0  0
 HOE  CONST_22  N2   C7   N1   C8      0.00   0.0  0
 HOE  CONST_23  C12  C13  C8   C9      0.00   0.0  0
 HOE  CONST_24  N2   C13  C8   C9    180.00   0.0  0
 HOE  CONST_25  C12  C11  C10  C9      0.00   0.0  0
 HOE  CONST_26  N3   C14  C10  C9    180.00   0.0  0
 HOE  CONST_27  N4   C14  C10  C9      0.00   0.0  0
 HOE  CONST_28  C13  C8   C9   C10     0.00   0.0  0
 HOE  CONST_29  N1   C8   C9   C10   180.00   0.0  0
 HOE  CONST_30  C13  C12  C11  C10     0.00   0.0  0
 HOE  CONST_31  C15  N3   C14  C10   180.00   0.0  0
 HOE  CONST_32  C20  N4   C14  C10   180.00   0.0  0
 HOE  CONST_35  N2   C13  C12  C11   180.00   0.0  0
 HOE  CONST_36  C14  C10  C11  C12   180.00   0.0  0
 HOE  CONST_37  N1   C8   C13  C12   180.00   0.0  0
 HOE  CONST_38  N1   C7   N2   C13     0.00   0.0  0
 HOE  CONST_39  C16  C15  N3   C14   180.00   0.0  0
 HOE  CONST_40  C20  C15  N3   C14     0.00   0.0  0
 HOE  CONST_41  C15  C20  N4   C14     0.00   0.0  0
 HOE  CONST_42  C19  C20  N4   C14   180.00   0.0  0
 HOE  CONST_43  C18  C17  C16  C15     0.00   0.0  0
 HOE  CONST_44  C18  C19  C20  C15     0.00   0.0  0
 HOE  CONST_45  N4   C14  N3   C15     0.00   0.0  0
 HOE  CONST_46  C19  C20  C15  C16     0.00   0.0  0
 HOE  CONST_47  N4   C20  C15  C16   180.00   0.0  0
 HOE  CONST_48  C19  C18  C17  C16     0.00   0.0  0
 HOE  CONST_49  C20  C15  C16  C17     0.00   0.0  0
 HOE  CONST_50  N3   C15  C16  C17   180.00   0.0  0
 HOE  CONST_51  C20  C19  C18  C17     0.00   0.0  0
 HOE  CONST_52  N4   C20  C19  C18   180.00   0.0  0
 HOE  CONST_53  N3   C15  C20  C19   180.00   0.0  0
 HOE  CONST_54  N3   C14  N4   C20     0.00   0.0  0
 HOE  CONST_55  N2   C13  C8   N1      0.00   0.0  0
 HOE  CONST_56  N4   C20  C15  N3      0.00   0.0  0
 HOE  CONST_57  N5   C17  C16  C15   180.00   0.0  0
 HOE  CONST_58  N5   C17  C18  C19   180.00   0.0  0
 HOE  CONST_59  O1   C6   C1   C2    180.00   0.0  0
 HOE  CONST_60  O1   C6   C5   C4    180.00   0.0  0
 HOE  CONST_61  H5   C5   C6   C1    180.00   0.0  0
 HOE  CONST_62  H4   C4   C3   C2    180.00   0.0  0
 HOE  CONST_63  H1   C1   C2   C3    180.00   0.0  0
 HOE  CONST_64  HN1  N1   C7   C3      0.00   0.0  0
 HOE  CONST_65  H2   C2   C3   C4    180.00   0.0  0
 HOE  CONST_66  H12  C12  C13  C8    180.00   0.0  0
 HOE  CONST_67  H11  C11  C10  C9    180.00   0.0  0
 HOE  CONST_68  HN3  N3   C14  C10     0.00   0.0  0
 HOE  CONST_69  H9   C9   C10  C11   180.00   0.0  0
 HOE  CONST_70  H19  C19  C20  C15   180.00   0.0  0
 HOE  CONST_71  H18  C18  C17  C16   180.00   0.0  0
 HOE  CONST_72  H16  C16  C17  C18   180.00   0.0  0
 HOE  Var_01    C21  N5   C17  C16   -57.52  30.0  2
 HOE  Var_02    C22  C21  N5   C17   162.38  30.0  1
 HOE  Var_03    C23  C24  N5   C17  -163.38  30.0  1
 HOE  Var_04    N6   C22  C21  N5     57.11  30.0  1
 HOE  Var_05    N6   C23  C24  N5    -56.95  30.0  1

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
 HOE  chir_01  N6  C22  C23  C25  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
 HOE  plan-1  C1   0.020
 HOE  plan-1  C2   0.020
 HOE  plan-1  C3   0.020
 HOE  plan-1  C4   0.020
 HOE  plan-1  C5   0.020
 HOE  plan-1  C6   0.020
 HOE  plan-1  C7   0.020
 HOE  plan-1  O1   0.020
 HOE  plan-1  H1   0.020
 HOE  plan-1  H2   0.020
 HOE  plan-1  H4   0.020
 HOE  plan-1  H5   0.020
 HOE  plan-2  C3   0.020
 HOE  plan-2  C7   0.020
 HOE  plan-2  C8   0.020
 HOE  plan-2  C9   0.020
 HOE  plan-2  C10  0.020
 HOE  plan-2  C11  0.020
 HOE  plan-2  C12  0.020
 HOE  plan-2  C13  0.020
 HOE  plan-2  C14  0.020
 HOE  plan-2  N1   0.020
 HOE  plan-2  N2   0.020
 HOE  plan-2  H9   0.020
 HOE  plan-2  H11  0.020
 HOE  plan-2  H12  0.020
 HOE  plan-2  HN1  0.020
 HOE  plan-3  C10  0.020
 HOE  plan-3  C14  0.020
 HOE  plan-3  C15  0.020
 HOE  plan-3  C16  0.020
 HOE  plan-3  C17  0.020
 HOE  plan-3  C18  0.020
 HOE  plan-3  C19  0.020
 HOE  plan-3  C20  0.020
 HOE  plan-3  N3   0.020
 HOE  plan-3  N4   0.020
 HOE  plan-3  N5   0.020
 HOE  plan-3  H16  0.020
 HOE  plan-3  H18  0.020
 HOE  plan-3  H19  0.020
 HOE  plan-3  HN3  0.020

