# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed May  6 20:14:18 2020
#   Inital geometry file: a 138 line input string
#   Ligand name: 2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCc1nc2c(C)cc(C)nc2n1[C@H]3CCc4cc(ccc34)c5ccccc5c6[nH]nnn6
#
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
 HIG  HIG  2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H-imidazo[4,5-b]pyridine  ligand  58  33  .  2021-08-11  2021-08-11  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_HIG
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
 HIG  N1    N  NR5   0  -0.553  -2.8091   1.0846   0.0131
 HIG  C2    C  CR15  0  -0.171  -1.8255   2.0612   0.4259
 HIG  C3    C  CR56  0   0.456  -2.8616  -0.2277   0.4187
 HIG  C4    C  CR5   0   0.461  -3.8364   1.2561  -0.8795
 HIG  C5    C  CR56  0   0.136  -0.4038   1.6520   0.1426
 HIG  C6    C  CH2   0  -0.453  -1.8054   2.3705   1.9340
 HIG  C7    C  CR56  0   0.053  -3.9504  -0.7794  -0.2634
 HIG  N8    N  N     0  -0.433  -2.0595  -0.8398   1.2669
 HIG  N9    N  N     0  -0.479  -4.5382   0.1696  -1.0604
 HIG  C10   C  CH2   0  -0.557  -4.0773   2.5297  -1.6134
 HIG  C11   C  CR56  0   0.105   0.4288   2.1024   1.1572
 HIG  C12   C  CR16  0  -0.292   0.1026   0.9540  -0.9375
 HIG  C13   C  CH2   0  -0.505  -0.3654   2.8320   2.2064
 HIG  C14   C  CR6   0   0.126  -4.2518  -2.1223  -0.0486
 HIG  C15   C  CR6   0   0.216  -2.3345  -2.1261   1.4670
 HIG  C16   C  CH3   0  -0.665  -3.1191   2.7138  -2.7926
 HIG  C17   C  CR16  0  -0.373   1.7891   1.8495   1.1075
 HIG  C18   C  CR16  0  -0.298   1.4633   0.6882  -0.9811
 HIG  C19   C  CR16  0  -0.415  -3.4056  -2.7799   0.8363
 HIG  C20   C  CH3   0  -0.728  -5.4047  -2.7921  -0.7222
 HIG  C21   C  CH3   0  -0.735  -1.4214  -2.8770   2.3884
 HIG  C22   C  CR6   0   0.045   2.3122   1.1221   0.0385
 HIG  C23   C  CR6   0   0.110   3.7590   0.8228  -0.0273
 HIG  C24   C  CR6   0   0.019   4.2327  -0.4886  -0.1588
 HIG  C25   C  CR16  0  -0.297   4.6868   1.8615   0.0005
 HIG  C26   C  CR5   0   0.384   3.3145  -1.6274  -0.0890
 HIG  C27   C  CR16  0  -0.254   5.5965  -0.7357  -0.2980
 HIG  C28   C  CR16  0  -0.232   6.0453   1.6123  -0.1248
 HIG  N29   N  NR15  0  -0.460   3.1995  -2.5858  -1.0111
 HIG  N30   N  N     0  -0.311   2.4879  -1.9300   0.8853
 HIG  C31   C  CR16  0  -0.256   6.5029   0.3121  -0.2857
 HIG  N32   N  N     0  -0.073   2.3039  -3.4684  -0.6087
 HIG  N33   N  N     0  -0.146   1.8885  -3.0625   0.5271
 HIG  H2    H  HCR5  0   0.295  -2.0481   2.9837  -0.1163
 HIG  H6    H  HCH2  0   0.251  -2.5559   3.1102   2.2092
 HIG  H6A   H  HCH2  0   0.260  -2.0055   1.4559   2.4915
 HIG  H10   H  HCH2  0   0.273  -5.1031   2.4993  -1.9801
 HIG  H10A  H  HCH2  0   0.262  -4.0136   3.3856  -0.9381
 HIG  H12   H  HCR6  0   0.246  -0.5413   0.6027  -1.7350
 HIG  H13   H  HCH2  0   0.254  -0.2679   3.9134   2.0701
 HIG  H13A  H  HCH2  0   0.257  -0.0392   2.6086   3.2226
 HIG  H16   H  HCH3  0   0.228  -2.0815   2.8014  -2.4686
 HIG  H16A  H  HCH3  0   0.238  -3.1833   1.8702  -3.4791
 HIG  H16B  H  HCH3  0   0.248  -3.3688   3.6202  -3.3424
 HIG  H17   H  HCR6  0   0.248   2.4407   2.1841   1.9067
 HIG  H18   H  HCR6  0   0.252   1.8715   0.1477  -1.8266
 HIG  H19   H  HCR6  0   0.249  -3.5753  -3.8276   1.0532
 HIG  H20   H  HCH3  0   0.250  -5.3547  -2.6656  -1.8043
 HIG  H20A  H  HCH3  0   0.248  -5.4304  -3.8578  -0.5022
 HIG  H20B  H  HCH3  0   0.252  -6.3506  -2.3569  -0.3958
 HIG  H21   H  HCH3  0   0.242  -1.2106  -2.2985   3.2877
 HIG  H21A  H  HCH3  0   0.238  -1.8474  -3.8340   2.6850
 HIG  H21B  H  HCH3  0   0.261  -0.4642  -3.0735   1.9002
 HIG  H25   H  HCR6  0   0.263   4.3342   2.8805   0.0979
 HIG  H27   H  HCR6  0   0.271   5.9516  -1.7545  -0.3904
 HIG  H28   H  HCR6  0   0.268   6.7463   2.4361  -0.1077
 HIG  H31   H  HCR6  0   0.268   7.5607   0.1124  -0.3891
 HIG  HN29  H  HNR5  0   0.451   3.6617  -2.6813  -1.9051

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
 HIG  C2   N1    single    1.446  0.020  1.446
 HIG  C4   N1    aromatic  1.372  0.020  1.372
 HIG  N1   C3    aromatic  1.375  0.020  1.375
 HIG  C6   C2    single    1.540  0.020  1.540
 HIG  C5   C2    single    1.506  0.020  1.506
 HIG  C2   H2    single    0.970  0.020  1.090
 HIG  C3   C7    aromatic  1.398  0.020  1.398
 HIG  C3   N8    aromatic  1.318  0.020  1.318
 HIG  C10  C4    single    1.490  0.020  1.490
 HIG  C4   N9    aromatic  1.306  0.020  1.306
 HIG  C11  C5    aromatic  1.388  0.020  1.388
 HIG  C5   C12   aromatic  1.382  0.020  1.382
 HIG  C13  C6    single    1.536  0.020  1.536
 HIG  C6   H6    single    0.970  0.020  1.090
 HIG  C6   H6A   single    0.970  0.020  1.090
 HIG  N9   C7    aromatic  1.372  0.020  1.372
 HIG  C7   C14   aromatic  1.393  0.020  1.393
 HIG  N8   C15   aromatic  1.330  0.020  1.330
 HIG  C16  C10   single    1.531  0.020  1.531
 HIG  C10  H10   single    0.970  0.020  1.090
 HIG  C10  H10A  single    0.970  0.020  1.090
 HIG  C17  C11   aromatic  1.385  0.020  1.385
 HIG  C13  C11   single    1.505  0.020  1.505
 HIG  C18  C12   aromatic  1.387  0.020  1.387
 HIG  C12  H12   single    0.930  0.020  1.080
 HIG  C13  H13   single    0.970  0.020  1.090
 HIG  C13  H13A  single    0.970  0.020  1.090
 HIG  C14  C19   aromatic  1.390  0.020  1.390
 HIG  C14  C20   single    1.494  0.020  1.494
 HIG  C15  C19   aromatic  1.404  0.020  1.404
 HIG  C15  C21   single    1.499  0.020  1.499
 HIG  C16  H16   single    0.970  0.020  1.090
 HIG  C16  H16A  single    0.970  0.020  1.090
 HIG  C16  H16B  single    0.970  0.020  1.090
 HIG  C17  C22   aromatic  1.395  0.020  1.395
 HIG  C17  H17   single    0.930  0.020  1.080
 HIG  C22  C18   aromatic  1.396  0.020  1.396
 HIG  C18  H18   single    0.930  0.020  1.080
 HIG  C19  H19   single    0.930  0.020  1.080
 HIG  C20  H20   single    0.970  0.020  1.090
 HIG  C20  H20A  single    0.970  0.020  1.090
 HIG  C20  H20B  single    0.970  0.020  1.090
 HIG  C21  H21   single    0.970  0.020  1.090
 HIG  C21  H21A  single    0.970  0.020  1.090
 HIG  C21  H21B  single    0.970  0.020  1.090
 HIG  C23  C22   single    1.479  0.020  1.479
 HIG  C25  C23   aromatic  1.393  0.020  1.393
 HIG  C24  C23   aromatic  1.400  0.020  1.400
 HIG  C27  C24   aromatic  1.393  0.020  1.393
 HIG  C24  C26   single    1.465  0.020  1.465
 HIG  C28  C25   aromatic  1.387  0.020  1.387
 HIG  C25  H25   single    0.930  0.020  1.080
 HIG  C26  N30   aromatic  1.313  0.020  1.313
 HIG  C26  N29   aromatic  1.335  0.020  1.335
 HIG  C31  C27   aromatic  1.386  0.020  1.386
 HIG  C27  H27   single    0.930  0.020  1.080
 HIG  C31  C28   aromatic  1.388  0.020  1.388
 HIG  C28  H28   single    0.930  0.020  1.080
 HIG  N29  N32   aromatic  1.320  0.020  1.320
 HIG  N30  N33   aromatic  1.330  0.020  1.330
 HIG  C31  H31   single    0.930  0.020  1.080
 HIG  N33  N32   aromatic  1.276  0.020  1.276
 HIG  N29  HN29  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
 HIG  C4    N1   C3    106.42  3.000
 HIG  C3    N1   C2    125.90  3.000
 HIG  C4    N1   C2    127.64  3.000
 HIG  H2    C2   C6    108.61  3.000
 HIG  H2    C2   C5    109.16  3.000
 HIG  C6    C2   C5    103.09  3.000
 HIG  H2    C2   N1    106.85  3.000
 HIG  C5    C2   N1    113.88  3.000
 HIG  C6    C2   N1    115.09  3.000
 HIG  N8    C3   C7    127.19  3.000
 HIG  N8    C3   N1    127.59  3.000
 HIG  C7    C3   N1    105.22  3.000
 HIG  C10   C4   N9    123.79  3.000
 HIG  N9    C4   N1    112.87  3.000
 HIG  C10   C4   N1    123.27  3.000
 HIG  C12   C5   C11   121.03  3.000
 HIG  C12   C5   C2    129.05  3.000
 HIG  C11   C5   C2    109.91  3.000
 HIG  H6A   C6   H6    108.31  3.000
 HIG  H6A   C6   C13   109.48  3.000
 HIG  H6    C6   C13   113.39  3.000
 HIG  H6A   C6   C2    109.28  3.000
 HIG  H6    C6   C2    112.03  3.000
 HIG  C13   C6   C2    104.25  3.000
 HIG  C14   C7   N9    131.60  3.000
 HIG  C14   C7   C3    118.27  3.000
 HIG  N9    C7   C3    110.13  3.000
 HIG  C15   N8   C3    114.84  3.000
 HIG  C7    N9   C4    105.35  3.000
 HIG  H10A  C10  H10   106.55  3.000
 HIG  H10A  C10  C16   110.22  3.000
 HIG  H10   C10  C16   109.47  3.000
 HIG  H10A  C10  C4    110.86  3.000
 HIG  H10   C10  C4    107.11  3.000
 HIG  C16   C10  C4    112.41  3.000
 HIG  C17   C11  C13   129.21  3.000
 HIG  C13   C11  C5    110.52  3.000
 HIG  C17   C11  C5    120.26  3.000
 HIG  H12   C12  C18   119.84  3.000
 HIG  H12   C12  C5    121.42  3.000
 HIG  C18   C12  C5    118.73  3.000
 HIG  H13A  C13  H13   106.97  3.000
 HIG  H13A  C13  C11   113.12  3.000
 HIG  H13   C13  C11   110.20  3.000
 HIG  H13A  C13  C6    112.58  3.000
 HIG  H13   C13  C6    111.00  3.000
 HIG  C11   C13  C6    103.03  3.000
 HIG  C20   C14  C19   123.01  3.000
 HIG  C20   C14  C7    121.99  3.000
 HIG  C19   C14  C7    115.00  3.000
 HIG  C21   C15  C19   120.50  3.000
 HIG  C21   C15  N8    116.80  3.000
 HIG  C19   C15  N8    122.69  3.000
 HIG  H16B  C16  H16A  108.22  3.000
 HIG  H16B  C16  H16   107.54  3.000
 HIG  H16A  C16  H16   107.79  3.000
 HIG  H16B  C16  C10   110.21  3.000
 HIG  H16A  C16  C10   110.82  3.000
 HIG  H16   C16  C10   112.11  3.000
 HIG  H17   C17  C22   120.04  3.000
 HIG  H17   C17  C11   120.51  3.000
 HIG  C22   C17  C11   119.42  3.000
 HIG  H18   C18  C22   119.74  3.000
 HIG  H18   C18  C12   119.32  3.000
 HIG  C22   C18  C12   120.93  3.000
 HIG  H19   C19  C15   118.67  3.000
 HIG  H19   C19  C14   119.33  3.000
 HIG  C15   C19  C14   122.01  3.000
 HIG  H20B  C20  H20A  108.03  3.000
 HIG  H20B  C20  H20   106.87  3.000
 HIG  H20A  C20  H20   108.37  3.000
 HIG  H20B  C20  C14   110.81  3.000
 HIG  H20A  C20  C14   111.48  3.000
 HIG  H20   C20  C14   111.10  3.000
 HIG  H21B  C21  H21A  107.85  3.000
 HIG  H21B  C21  H21   107.15  3.000
 HIG  H21A  C21  H21   108.51  3.000
 HIG  H21B  C21  C15   110.44  3.000
 HIG  H21A  C21  C15   111.68  3.000
 HIG  H21   C21  C15   111.05  3.000
 HIG  C23   C22  C18   119.96  3.000
 HIG  C23   C22  C17   120.44  3.000
 HIG  C18   C22  C17   119.60  3.000
 HIG  C25   C23  C24   118.35  3.000
 HIG  C24   C23  C22   121.64  3.000
 HIG  C25   C23  C22   119.98  3.000
 HIG  C27   C24  C26   118.73  3.000
 HIG  C26   C24  C23   120.77  3.000
 HIG  C27   C24  C23   120.44  3.000
 HIG  H25   C25  C28   119.75  3.000
 HIG  H25   C25  C23   119.13  3.000
 HIG  C28   C25  C23   121.11  3.000
 HIG  N30   C26  N29   107.03  3.000
 HIG  N29   C26  C24   125.40  3.000
 HIG  N30   C26  C24   127.54  3.000
 HIG  H27   C27  C31   119.85  3.000
 HIG  H27   C27  C24   119.77  3.000
 HIG  C31   C27  C24   120.36  3.000
 HIG  H28   C28  C31   120.11  3.000
 HIG  H28   C28  C25   119.77  3.000
 HIG  C31   C28  C25   120.12  3.000
 HIG  HN29  N29  N32   121.10  3.000
 HIG  HN29  N29  C26   129.74  3.000
 HIG  N32   N29  C26   109.14  3.000
 HIG  N33   N30  C26   106.26  3.000
 HIG  H31   C31  C28   120.44  3.000
 HIG  H31   C31  C27   119.96  3.000
 HIG  C28   C31  C27   119.60  3.000
 HIG  N33   N32  N29   106.23  3.000
 HIG  N32   N33  N30   111.34  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
 HIG  CONST_01  C7    N9   C4   N1     0.00   0.0  0
 HIG  CONST_02  N9    C7   C3   N1     0.00   0.0  0
 HIG  CONST_03  C14   C7   C3   N1   180.00   0.0  0
 HIG  CONST_04  C15   N8   C3   N1   180.00   0.0  0
 HIG  CONST_05  N9    C4   N1   C3     0.00   0.0  0
 HIG  CONST_06  C4    N9   C7   C3     0.00   0.0  0
 HIG  CONST_07  C19   C14  C7   C3     0.00   0.0  0
 HIG  CONST_08  C19   C15  N8   C3     0.00   0.0  0
 HIG  CONST_09  C7    C3   N1   C4     0.00   0.0  0
 HIG  CONST_10  N8    C3   N1   C4   180.00   0.0  0
 HIG  CONST_11  C14   C7   N9   C4   180.00   0.0  0
 HIG  CONST_12  C22   C17  C11  C5     0.00   0.0  0
 HIG  CONST_13  C22   C18  C12  C5     0.00   0.0  0
 HIG  CONST_14  C15   N8   C3   C7     0.00   0.0  0
 HIG  CONST_15  C15   C19  C14  C7     0.00   0.0  0
 HIG  CONST_16  N9    C7   C3   N8   180.00   0.0  0
 HIG  CONST_17  C14   C7   C3   N8     0.00   0.0  0
 HIG  CONST_18  C14   C19  C15  N8     0.00   0.0  0
 HIG  CONST_19  C19   C14  C7   N9   180.00   0.0  0
 HIG  CONST_20  C18   C12  C5   C11    0.00   0.0  0
 HIG  CONST_21  C18   C22  C17  C11    0.00   0.0  0
 HIG  CONST_22  C23   C22  C17  C11  180.00   0.0  0
 HIG  CONST_23  C17   C11  C5   C12    0.00   0.0  0
 HIG  CONST_24  C17   C22  C18  C12    0.00   0.0  0
 HIG  CONST_25  C23   C22  C18  C12  180.00   0.0  0
 HIG  CONST_30  C28   C25  C23  C22  180.00   0.0  0
 HIG  CONST_31  C27   C24  C23  C22  180.00   0.0  0
 HIG  CONST_32  C26   C24  C23  C22    0.00   0.0  0
 HIG  CONST_33  C31   C28  C25  C23    0.00   0.0  0
 HIG  CONST_34  C31   C27  C24  C23    0.00   0.0  0
 HIG  CONST_37  C28   C25  C23  C24    0.00   0.0  0
 HIG  CONST_38  C28   C31  C27  C24    0.00   0.0  0
 HIG  CONST_39  N33   N30  C26  C24  180.00   0.0  0
 HIG  CONST_40  N32   N29  C26  C24  180.00   0.0  0
 HIG  CONST_41  C27   C24  C23  C25    0.00   0.0  0
 HIG  CONST_42  C26   C24  C23  C25  180.00   0.0  0
 HIG  CONST_43  C27   C31  C28  C25    0.00   0.0  0
 HIG  CONST_44  C31   C27  C24  C26  180.00   0.0  0
 HIG  CONST_45  N32   N33  N30  C26    0.00   0.0  0
 HIG  CONST_46  N33   N32  N29  C26    0.00   0.0  0
 HIG  CONST_49  N33   N30  C26  N29    0.00   0.0  0
 HIG  CONST_50  N30   N33  N32  N29    0.00   0.0  0
 HIG  CONST_51  N32   N29  C26  N30    0.00   0.0  0
 HIG  CONST_52  N9    C4   N1   C2   180.00   0.0  0
 HIG  CONST_53  C7    C3   N1   C2   180.00   0.0  0
 HIG  CONST_54  N8    C3   N1   C2     0.00   0.0  0
 HIG  CONST_55  C10   C4   N1   C2     0.00   0.0  0
 HIG  CONST_56  C10   C4   N1   C3   180.00   0.0  0
 HIG  CONST_57  C20   C14  C7   C3   180.00   0.0  0
 HIG  CONST_58  C21   C15  N8   C3   180.00   0.0  0
 HIG  CONST_59  C10   C4   N9   C7   180.00   0.0  0
 HIG  CONST_60  C20   C14  C7   N9     0.00   0.0  0
 HIG  CONST_61  C21   C15  C19  C14  180.00   0.0  0
 HIG  CONST_62  C20   C14  C19  C15  180.00   0.0  0
 HIG  CONST_63  H12   C12  C5   C2     0.00   0.0  0
 HIG  CONST_64  H17   C17  C11  C5   180.00   0.0  0
 HIG  CONST_65  H18   C18  C12  C5   180.00   0.0  0
 HIG  CONST_66  H19   C19  C14  C7   180.00   0.0  0
 HIG  CONST_67  H25   C25  C23  C22    0.00   0.0  0
 HIG  CONST_68  H28   C28  C25  C23  180.00   0.0  0
 HIG  CONST_69  H27   C27  C24  C23  180.00   0.0  0
 HIG  CONST_70  H31   C31  C27  C24  180.00   0.0  0
 HIG  CONST_71  HN29  N29  C26  C24    0.00   0.0  0
 HIG  Var_01    C11   C13  C6   C2   -28.60  30.0  1
 HIG  Var_02    C6    C13  C11  C5    17.86  30.0  1
 HIG  Var_03    C16   C10  C4   N1    77.93  30.0  3
 HIG  Var_04    H20   C20  C14  C7    53.97  30.0  2
 HIG  Var_05    H21   C21  C15  N8    44.81  30.0  2
 HIG  Var_06    H16   C16  C10  C4   -64.03  30.0  3

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
 HIG  chir_01  C2  N1  C6  C5  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
 HIG  plan-1  C24   0.020
 HIG  plan-1  C26   0.020
 HIG  plan-1  N29   0.020
 HIG  plan-1  N30   0.020
 HIG  plan-1  N32   0.020
 HIG  plan-1  N33   0.020
 HIG  plan-1  HN29  0.020
 HIG  plan-2  C22   0.020
 HIG  plan-2  C23   0.020
 HIG  plan-2  C24   0.020
 HIG  plan-2  C25   0.020
 HIG  plan-2  C26   0.020
 HIG  plan-2  C27   0.020
 HIG  plan-2  C28   0.020
 HIG  plan-2  C31   0.020
 HIG  plan-2  H25   0.020
 HIG  plan-2  H27   0.020
 HIG  plan-2  H28   0.020
 HIG  plan-2  H31   0.020
 HIG  plan-3  C2    0.020
 HIG  plan-3  C5    0.020
 HIG  plan-3  C11   0.020
 HIG  plan-3  C12   0.020
 HIG  plan-3  C13   0.020
 HIG  plan-3  C17   0.020
 HIG  plan-3  C18   0.020
 HIG  plan-3  C22   0.020
 HIG  plan-3  C23   0.020
 HIG  plan-3  H12   0.020
 HIG  plan-3  H17   0.020
 HIG  plan-3  H18   0.020
 HIG  plan-4  N1    0.020
 HIG  plan-4  C2    0.020
 HIG  plan-4  C3    0.020
 HIG  plan-4  C4    0.020
 HIG  plan-4  C7    0.020
 HIG  plan-4  N8    0.020
 HIG  plan-4  N9    0.020
 HIG  plan-4  C10   0.020
 HIG  plan-4  C14   0.020
 HIG  plan-4  C15   0.020
 HIG  plan-4  C19   0.020
 HIG  plan-4  C20   0.020
 HIG  plan-4  C21   0.020
 HIG  plan-4  H19   0.020

