# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr 25 04:31:05 2020
#   Inital geometry file: a 168 line input string
#   Ligand name: N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCCCCCC1=C(c2ccccc2)[C@@]3(CC[C@H](NC(C)=O)[C@@H]3C1)C(=C)c4ccccc4
#
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
 N27  N27  N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide  ligand  69  32  .  2021-08-15  2021-08-15  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_N27
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
 N27  C01   C  C2    0  -0.583   4.0755   0.4648   1.4659
 N27  C02   C  C     0   0.155   3.0534   0.3773   0.6167
 N27  C03   C  CR6   0   0.052   3.3465   0.0728  -0.8125
 N27  C04   C  CR16  0  -0.280   2.9792  -1.1354  -1.4049
 N27  C05   C  CR16  0  -0.242   3.2602  -1.3840  -2.7411
 N27  C06   C  CR16  0  -0.269   3.9111  -0.4292  -3.5114
 N27  C07   C  CR16  0  -0.245   4.2916   0.7725  -2.9308
 N27  C08   C  CR16  0  -0.288   4.0125   1.0180  -1.5928
 N27  C09   C  CR5   0  -0.162   1.5978   0.6751   0.9593
 N27  C10   C  CR15  0  -0.270   1.0906   1.8391   0.0427
 N27  C11   C  CH2   0  -0.470   0.3199   1.1741  -1.0911
 N27  C12   C  CR5   0   0.081  -0.0520  -0.1715  -0.5342
 N27  C13   C  CH2   0  -0.519  -1.0542  -1.0095  -1.2575
 N27  C14   C  CH2   0  -0.441  -2.4899  -0.5077  -1.0771
 N27  C15   C  CH2   0  -0.410  -3.4883  -1.2206  -1.9786
 N27  C16   C  CH2   0  -0.406  -4.9196  -0.7441  -1.7683
 N27  C17   C  CH2   0  -0.419  -5.9273  -1.4431  -2.6728
 N27  C18   C  CH3   0  -0.662  -7.3560  -0.9723  -2.4394
 N27  C19   C  CR5   0   0.034   0.6500  -0.4567   0.5739
 N27  C20   C  CR6   0   0.087   0.5382  -1.6769   1.3895
 N27  C21   C  CR16  0  -0.328  -0.7146  -2.1883   1.7409
 N27  C22   C  CR16  0  -0.240  -0.8347  -3.3415   2.5026
 N27  C23   C  CR16  0  -0.272   0.2999  -4.0078   2.9453
 N27  C24   C  CR16  0  -0.238   1.5524  -3.5009   2.6259
 N27  C25   C  CR16  0  -0.327   1.6702  -2.3472   1.8639
 N27  C26   C  CH1   0  -0.093   0.2749   2.7565   0.9676
 N27  C29   C  CH3   0  -0.781  -3.5037   2.4699   1.2451
 N27  C31   C  CH2   0  -0.423   1.0377   2.6481   2.2871
 N27  C32   C  CH2   0  -0.471   1.3447   1.1579   2.4096
 N27  N27   N  NH1   0  -0.624  -1.1011   2.3194   1.0970
 N27  O30   O  O     0  -0.510  -2.0578   4.3674   1.1263
 N27  H011  H  H     0   0.243   5.0886   0.2817   1.1308
 N27  H012  H  H     0   0.242   3.9589   0.7065   2.5132
 N27  H041  H  HCR6  0   0.254   2.4780  -1.8989  -0.8255
 N27  H051  H  HCR6  0   0.253   2.9706  -2.3303  -3.1802
 N27  H061  H  HCR6  0   0.253   4.1259  -0.6239  -4.5542
 N27  H071  H  HCR6  0   0.253   4.8068   1.5222  -3.5177
 N27  H081  H  HCR6  0   0.248   4.3086   1.9603  -1.1477
 N27  H101  H  HCR5  0   0.267   1.9280   2.4314  -0.3306
 N27  H112  H  HCH2  0   0.249  -0.5509   1.7541  -1.4126
 N27  H111  H  HCH2  0   0.261   0.9462   1.0452  -1.9801
 N27  H132  H  HCH2  0   0.241  -0.8078  -0.9816  -2.3253
 N27  H131  H  HCH2  0   0.240  -0.9895  -2.0564  -0.9529
 N27  H142  H  HCH2  0   0.219  -2.7951  -0.6419  -0.0333
 N27  H141  H  HCH2  0   0.225  -2.5351   0.5692  -1.2687
 N27  H152  H  HCH2  0   0.213  -3.2023  -1.0686  -3.0251
 N27  H151  H  HCH2  0   0.212  -3.4317  -2.3000  -1.8003
 N27  H162  H  HCH2  0   0.207  -5.2043  -0.8995  -0.7215
 N27  H161  H  HCH2  0   0.207  -4.9722   0.3373  -1.9383
 N27  H172  H  HCH2  0   0.211  -5.6530  -1.2738  -3.7188
 N27  H171  H  HCH2  0   0.211  -5.8656  -2.5242  -2.5145
 N27  H181  H  HCH3  0   0.226  -8.0610  -1.4863  -3.0939
 N27  H183  H  HCH3  0   0.215  -7.6691  -1.1537  -1.4093
 N27  H182  H  HCH3  0   0.216  -7.4543   0.0986  -2.6277
 N27  H211  H  HCR6  0   0.251  -1.6116  -1.6651   1.4359
 N27  H221  H  HCR6  0   0.255  -1.8189  -3.7133   2.7568
 N27  H231  H  HCR6  0   0.255   0.2089  -4.9068   3.5410
 N27  H241  H  HCR6  0   0.255   2.4464  -4.0053   2.9699
 N27  H251  H  HCR6  0   0.263   2.6574  -1.9696   1.6353
 N27  H261  H  HCH1  0   0.264   0.2568   3.7768   0.5863
 N27  H291  H  HCH3  0   0.266  -4.0784   2.6934   0.3456
 N27  H293  H  HCH3  0   0.240  -3.4484   1.3880   1.3511
 N27  H292  H  HCH3  0   0.268  -4.0581   2.8715   2.0927
 N27  H312  H  HCH2  0   0.233   1.9642   3.2240   2.2101
 N27  H311  H  HCH2  0   0.244   0.4765   3.0461   3.1337
 N27  H321  H  HCH2  0   0.240   0.4824   0.6300   2.8243
 N27  H322  H  HCH2  0   0.248   2.1635   0.9615   3.0984
 N27  H271  H  HNH1  0   0.395  -1.2713   1.3272   1.1404
 N27  C28   C  C     0   0.523  -2.1578   3.1474   1.1559

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
 N27  C23  C24   aromatic  1.388  0.020  1.388
 N27  C23  C22   aromatic  1.388  0.020  1.388
 N27  C24  C25   aromatic  1.388  0.020  1.388
 N27  C22  C21   aromatic  1.387  0.020  1.387
 N27  C25  C20   aromatic  1.398  0.020  1.398
 N27  C21  C20   aromatic  1.398  0.020  1.398
 N27  C20  C19   single    1.472  0.020  1.472
 N27  C01  C02   double    1.332  0.020  1.332
 N27  C19  C09   single    1.526  0.020  1.526
 N27  C19  C12   double    1.342  0.020  1.342
 N27  C14  C13   single    1.531  0.020  1.531
 N27  C14  C15   single    1.522  0.020  1.522
 N27  C02  C09   single    1.525  0.020  1.525
 N27  C02  C03   single    1.490  0.020  1.490
 N27  C16  C15   single    1.523  0.020  1.523
 N27  C16  C17   single    1.524  0.020  1.524
 N27  C08  C03   aromatic  1.395  0.020  1.395
 N27  C08  C07   aromatic  1.389  0.020  1.389
 N27  C13  C12   single    1.493  0.020  1.493
 N27  C32  C09   single    1.549  0.020  1.549
 N27  C32  C31   single    1.526  0.020  1.526
 N27  C09  C10   single    1.566  0.020  1.566
 N27  C03  C04   aromatic  1.395  0.020  1.395
 N27  C12  C11   single    1.503  0.020  1.503
 N27  C07  C06   aromatic  1.388  0.020  1.388
 N27  C18  C17   single    1.522  0.020  1.522
 N27  C04  C05   aromatic  1.388  0.020  1.388
 N27  C06  C05   aromatic  1.389  0.020  1.389
 N27  C31  C26   single    1.528  0.020  1.528
 N27  C11  C10   single    1.524  0.020  1.524
 N27  C10  C26   single    1.537  0.020  1.537
 N27  C26  N27   single    1.450  0.020  1.450
 N27  N27  C28   single    1.344  0.020  1.344
 N27  C28  C29   single    1.509  0.020  1.509
 N27  C28  O30   double    1.224  0.020  1.224
 N27  C01  H011  single    0.930  0.020  1.080
 N27  C01  H012  single    0.930  0.020  1.080
 N27  C04  H041  single    0.930  0.020  1.080
 N27  C05  H051  single    0.930  0.020  1.080
 N27  C06  H061  single    0.930  0.020  1.080
 N27  C07  H071  single    0.930  0.020  1.080
 N27  C08  H081  single    0.930  0.020  1.080
 N27  C10  H101  single    0.970  0.020  1.090
 N27  C11  H112  single    0.970  0.020  1.090
 N27  C11  H111  single    0.970  0.020  1.090
 N27  C13  H132  single    0.970  0.020  1.090
 N27  C13  H131  single    0.970  0.020  1.090
 N27  C14  H142  single    0.970  0.020  1.090
 N27  C14  H141  single    0.970  0.020  1.090
 N27  C15  H152  single    0.970  0.020  1.090
 N27  C15  H151  single    0.970  0.020  1.090
 N27  C16  H162  single    0.970  0.020  1.090
 N27  C16  H161  single    0.970  0.020  1.090
 N27  C17  H172  single    0.970  0.020  1.090
 N27  C17  H171  single    0.970  0.020  1.090
 N27  C18  H181  single    0.970  0.020  1.090
 N27  C18  H183  single    0.970  0.020  1.090
 N27  C18  H182  single    0.970  0.020  1.090
 N27  C21  H211  single    0.930  0.020  1.080
 N27  C22  H221  single    0.930  0.020  1.080
 N27  C23  H231  single    0.930  0.020  1.080
 N27  C24  H241  single    0.930  0.020  1.080
 N27  C25  H251  single    0.930  0.020  1.080
 N27  C26  H261  single    0.970  0.020  1.090
 N27  C29  H291  single    0.970  0.020  1.090
 N27  C29  H293  single    0.970  0.020  1.090
 N27  C29  H292  single    0.970  0.020  1.090
 N27  C31  H312  single    0.970  0.020  1.090
 N27  C31  H311  single    0.970  0.020  1.090
 N27  C32  H321  single    0.970  0.020  1.090
 N27  C32  H322  single    0.970  0.020  1.090
 N27  N27  H271  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
 N27  H012  C01  H011  116.01  3.000
 N27  H012  C01  C02   123.34  3.000
 N27  H011  C01  C02   120.64  3.000
 N27  C09   C02  C03   116.30  3.000
 N27  C03   C02  C01   118.29  3.000
 N27  C09   C02  C01   125.21  3.000
 N27  C08   C03  C04   118.36  3.000
 N27  C04   C03  C02   122.17  3.000
 N27  C08   C03  C02   119.47  3.000
 N27  H041  C04  C05   118.89  3.000
 N27  H041  C04  C03   120.39  3.000
 N27  C05   C04  C03   120.72  3.000
 N27  H051  C05  C06   120.09  3.000
 N27  H051  C05  C04   119.53  3.000
 N27  C06   C05  C04   120.38  3.000
 N27  H061  C06  C07   120.29  3.000
 N27  H061  C06  C05   120.25  3.000
 N27  C07   C06  C05   119.46  3.000
 N27  H071  C07  C08   119.71  3.000
 N27  H071  C07  C06   120.22  3.000
 N27  C08   C07  C06   120.07  3.000
 N27  H081  C08  C07   119.64  3.000
 N27  H081  C08  C03   119.34  3.000
 N27  C07   C08  C03   121.01  3.000
 N27  C32   C09  C19   111.48  3.000
 N27  C32   C09  C10   105.27  3.000
 N27  C19   C09  C10   101.67  3.000
 N27  C10   C09  C02   108.83  3.000
 N27  C32   C09  C02   115.29  3.000
 N27  C19   C09  C02   113.04  3.000
 N27  H101  C10  C26   106.80  3.000
 N27  H101  C10  C11   111.74  3.000
 N27  C26   C10  C11   116.09  3.000
 N27  H101  C10  C09   110.80  3.000
 N27  C26   C10  C09   105.27  3.000
 N27  C11   C10  C09   105.96  3.000
 N27  H111  C11  H112  106.20  3.000
 N27  H111  C11  C12   109.69  3.000
 N27  H112  C11  C12   112.73  3.000
 N27  H111  C11  C10   111.48  3.000
 N27  H112  C11  C10   112.94  3.000
 N27  C12   C11  C10   103.89  3.000
 N27  C19   C12  C13   129.17  3.000
 N27  C13   C12  C11   119.27  3.000
 N27  C19   C12  C11   111.51  3.000
 N27  H131  C13  H132  106.42  3.000
 N27  H131  C13  C14   109.68  3.000
 N27  H132  C13  C14   108.49  3.000
 N27  H131  C13  C12   111.29  3.000
 N27  H132  C13  C12   107.86  3.000
 N27  C14   C13  C12   112.85  3.000
 N27  H141  C14  H142  106.00  3.000
 N27  H141  C14  C15   109.26  3.000
 N27  H142  C14  C15   108.91  3.000
 N27  H141  C14  C13   109.90  3.000
 N27  H142  C14  C13   109.47  3.000
 N27  C15   C14  C13   113.05  3.000
 N27  H151  C15  H152  106.18  3.000
 N27  H151  C15  C16   109.53  3.000
 N27  H152  C15  C16   109.50  3.000
 N27  H151  C15  C14   109.33  3.000
 N27  H152  C15  C14   109.24  3.000
 N27  C16   C15  C14   112.83  3.000
 N27  H161  C16  H162  106.00  3.000
 N27  H161  C16  C17   109.20  3.000
 N27  H162  C16  C17   109.28  3.000
 N27  H161  C16  C15   109.41  3.000
 N27  H162  C16  C15   109.37  3.000
 N27  C17   C16  C15   113.33  3.000
 N27  H171  C17  H172  106.08  3.000
 N27  H171  C17  C18   109.65  3.000
 N27  H172  C17  C18   109.50  3.000
 N27  H171  C17  C16   109.27  3.000
 N27  H172  C17  C16   109.31  3.000
 N27  C18   C17  C16   112.82  3.000
 N27  H182  C18  H183  107.45  3.000
 N27  H182  C18  H181  107.49  3.000
 N27  H183  C18  H181  107.61  3.000
 N27  H182  C18  C17   111.19  3.000
 N27  H183  C18  C17   111.25  3.000
 N27  H181  C18  C17   111.65  3.000
 N27  C20   C19  C12   126.43  3.000
 N27  C12   C19  C09   112.07  3.000
 N27  C20   C19  C09   121.47  3.000
 N27  C25   C20  C21   117.70  3.000
 N27  C21   C20  C19   120.70  3.000
 N27  C25   C20  C19   121.59  3.000
 N27  H211  C21  C22   119.00  3.000
 N27  H211  C21  C20   119.68  3.000
 N27  C22   C21  C20   121.31  3.000
 N27  H221  C22  C23   120.23  3.000
 N27  H221  C22  C21   119.55  3.000
 N27  C23   C22  C21   120.22  3.000
 N27  H231  C23  C24   120.38  3.000
 N27  H231  C23  C22   120.36  3.000
 N27  C24   C23  C22   119.25  3.000
 N27  H241  C24  C25   119.46  3.000
 N27  H241  C24  C23   120.11  3.000
 N27  C25   C24  C23   120.43  3.000
 N27  H251  C25  C24   118.94  3.000
 N27  H251  C25  C20   119.99  3.000
 N27  C24   C25  C20   121.07  3.000
 N27  H261  C26  N27   107.34  3.000
 N27  H261  C26  C31   112.15  3.000
 N27  N27   C26  C31   112.05  3.000
 N27  H261  C26  C10   110.93  3.000
 N27  N27   C26  C10   112.18  3.000
 N27  C31   C26  C10   102.26  3.000
 N27  H292  C29  H293  108.45  3.000
 N27  H292  C29  H291  107.34  3.000
 N27  H293  C29  H291  108.10  3.000
 N27  H292  C29  C28   109.53  3.000
 N27  H293  C29  C28   113.99  3.000
 N27  H291  C29  C28   109.21  3.000
 N27  H311  C31  H312  107.36  3.000
 N27  H311  C31  C32   113.41  3.000
 N27  H312  C31  C32   110.45  3.000
 N27  H311  C31  C26   112.79  3.000
 N27  H312  C31  C26   108.95  3.000
 N27  C32   C31  C26   103.83  3.000
 N27  H322  C32  H321  105.45  3.000
 N27  H322  C32  C31   112.24  3.000
 N27  H321  C32  C31   110.08  3.000
 N27  H322  C32  C09   114.43  3.000
 N27  H321  C32  C09   109.48  3.000
 N27  C31   C32  C09   105.19  3.000
 N27  H271  N27  C28   118.16  3.000
 N27  H271  N27  C26   117.46  3.000
 N27  C28   N27  C26   124.37  3.000
 N27  O30   C28  N27   123.27  3.000
 N27  O30   C28  C29   121.43  3.000
 N27  N27   C28  C29   115.29  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
 N27  CONST_01  C06   C07  C08  C03     0.00   0.0  0
 N27  CONST_02  C06   C05  C04  C03     0.00   0.0  0
 N27  CONST_03  C07   C08  C03  C04     0.00   0.0  0
 N27  CONST_04  C07   C06  C05  C04     0.00   0.0  0
 N27  CONST_05  C08   C03  C04  C05     0.00   0.0  0
 N27  CONST_06  C08   C07  C06  C05     0.00   0.0  0
 N27  CONST_07  C23   C24  C25  C20     0.00   0.0  0
 N27  CONST_08  C23   C22  C21  C20     0.00   0.0  0
 N27  CONST_09  C24   C23  C22  C21     0.00   0.0  0
 N27  CONST_10  C24   C25  C20  C21     0.00   0.0  0
 N27  CONST_11  C25   C24  C23  C22     0.00   0.0  0
 N27  CONST_12  C25   C20  C21  C22     0.00   0.0  0
 N27  CONST_13  C24   C25  C20  C19   180.00   0.0  0
 N27  CONST_14  C22   C21  C20  C19   180.00   0.0  0
 N27  CONST_15  C07   C08  C03  C02   180.00   0.0  0
 N27  CONST_16  C05   C04  C03  C02   180.00   0.0  0
 N27  CONST_17  H071  C07  C08  C03   180.00   0.0  0
 N27  CONST_18  H051  C05  C04  C03   180.00   0.0  0
 N27  CONST_19  H081  C08  C03  C04   180.00   0.0  0
 N27  CONST_20  H061  C06  C05  C04   180.00   0.0  0
 N27  CONST_21  H041  C04  C05  C06   180.00   0.0  0
 N27  CONST_22  H251  C25  C20  C19     0.00   0.0  0
 N27  CONST_23  H211  C21  C20  C19     0.00   0.0  0
 N27  CONST_24  H241  C24  C25  C20   180.00   0.0  0
 N27  CONST_25  H221  C22  C21  C20   180.00   0.0  0
 N27  CONST_26  H231  C23  C22  C21   180.00   0.0  0
 N27  CONST_27  C29   C28  N27  C26   180.00   0.0  0
 N27  CONST_28  O30   C28  N27  C26     0.00   0.0  0
 N27  CONST_29  H271  N27  C28  C29     0.00   0.0  0
 N27  Var_01    C25   C20  C19  C09   -45.80  30.0  2
 N27  Var_02    C11   C12  C19  C09     1.11  30.0  1
 N27  Var_03    C26   C31  C32  C09    35.04  30.0  1
 N27  Var_04    C19   C12  C11  C10   -14.57  30.0  1
 N27  Var_05    C09   C02  C03  C04   -72.93  30.0  2
 N27  Var_06    C14   C13  C12  C11   -75.04  30.0  1
 N27  Var_07    C15   C14  C13  C12   171.09  30.0  2
 N27  Var_08    H011  C01  C02  C03    -2.29   0.0  2
 N27  Var_09    C16   C15  C14  C13   178.45  30.0  3
 N27  Var_10    C17   C16  C15  C14   179.57  30.0  2
 N27  Var_11    C18   C17  C16  C15   179.19  30.0  3
 N27  Var_12    H181  C18  C17  C16  -179.84  30.0  3
 N27  Var_13    H291  C29  C28  N27  -115.23  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
 N27  chir_01  C09  C19  C32  C10  positiv
 N27  chir_02  C10  C26  C11  C09  positiv
 N27  chir_03  C26  N27  C10  C31  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
 N27  plan-1  C02   0.020
 N27  plan-1  C03   0.020
 N27  plan-1  C04   0.020
 N27  plan-1  C05   0.020
 N27  plan-1  C06   0.020
 N27  plan-1  C07   0.020
 N27  plan-1  C08   0.020
 N27  plan-1  H041  0.020
 N27  plan-1  H051  0.020
 N27  plan-1  H061  0.020
 N27  plan-1  H071  0.020
 N27  plan-1  H081  0.020
 N27  plan-2  C19   0.020
 N27  plan-2  C20   0.020
 N27  plan-2  C21   0.020
 N27  plan-2  C22   0.020
 N27  plan-2  C23   0.020
 N27  plan-2  C24   0.020
 N27  plan-2  C25   0.020
 N27  plan-2  H211  0.020
 N27  plan-2  H221  0.020
 N27  plan-2  H231  0.020
 N27  plan-2  H241  0.020
 N27  plan-2  H251  0.020
 N27  plan-3  C26   0.020
 N27  plan-3  C29   0.020
 N27  plan-3  N27   0.020
 N27  plan-3  O30   0.020
 N27  plan-3  H271  0.020
 N27  plan-3  C28   0.020
 N27  plan-4  C01   0.020
 N27  plan-4  C02   0.020
 N27  plan-4  C03   0.020
 N27  plan-4  C09   0.020
 N27  plan-4  H011  0.020
 N27  plan-4  H012  0.020

