# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Apr 13 06:27:40 2020
#   Inital geometry file: a 144 line input string
#   Ligand name: (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-fluorophenyl)acetamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Fc1cc2nc(n([C@@H](C3CCCCC3)C(=O)Nc4ccccc4F)c2cc1F)c5ccc(Cl)cc5
#
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
 9LS  9LS  (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-fluorophenyl)acetamide  ligand  58  35  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_9LS
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
 9LS  N1    N   NR5   0  -0.553   1.1187   0.5783  -0.2128
 9LS  N3    N   N     0  -0.454   1.2149   2.8102  -0.1541
 9LS  C4    C   CR56  0   0.359   2.2234   0.8956   0.5483
 9LS  C5    C   CR56  0   0.132   2.2689   2.2978   0.5529
 9LS  C6    C   C     0   0.575  -0.1894  -1.1372   0.8688
 9LS  C7    C   CH1   0  -0.237   0.5141  -0.7285  -0.4253
 9LS  C8    C   CR16  0  -0.456   3.1706   0.1335   1.2288
 9LS  C10   C   CR16  0  -0.490   3.2874   2.9824   1.2174
 9LS  C13   C   CR6   0   0.385   4.2265   2.2260   1.8688
 9LS  C17   C   CH1   0  -0.269   1.4887  -1.8009  -0.9208
 9LS  C22   C   CR6   0  -0.040  -3.0317   2.1343  -2.8138
 9LS  C24   C   CR16  0  -0.192  -2.9638   2.6465  -1.5276
 9LS  C28   C   CR16  0  -0.408  -4.5450  -1.0331   2.8786
 9LS  C16   C   CR6   0   0.496  -3.6052  -0.7909   1.9000
 9LS  C32   C   CR16  0  -0.246  -4.2910  -2.0241   3.8165
 9LS  C31   C   CR16  0  -0.267  -3.1146  -2.7576   3.7495
 9LS  C27   C   CR16  0  -0.280  -2.1871  -2.5124   2.7474
 9LS  C14   C   CR6   0   0.189  -2.4210  -1.5145   1.8063
 9LS  O15   O   O     0  -0.437   0.4308  -1.3370   1.8929
 9LS  C29   C   CH2   0  -0.427   0.7341  -3.1085  -1.1755
 9LS  C33   C   CH2   0  -0.431   1.6726  -4.1934  -1.6954
 9LS  C35   C   CH2   0  -0.432   2.4082  -3.7402  -2.9512
 9LS  C34   C   CH2   0  -0.431   3.1536  -2.4339  -2.7030
 9LS  C30   C   CH2   0  -0.426   2.2147  -1.3474  -2.1877
 9LS  C2    C   CR5   0   0.445   0.5572   1.7745  -0.5877
 9LS  F21   F   F     0  -0.311   5.2344   2.8135   2.5267
 9LS  C11   C   CR6   0   0.402   4.1635   0.8287   1.8748
 9LS  F20   F   F     0  -0.310   5.1089   0.1607   2.5477
 9LS  C12   C   CR6   0  -0.035  -0.6831   1.8752  -1.3713
 9LS  C18   C   CR16  0  -0.285  -0.7719   1.3722  -2.6673
 9LS  C25   C   CR16  0  -0.196  -1.9444   1.4983  -3.3940
 9LS  C19   C   CR16  0  -0.272  -1.7847   2.5163  -0.8117
 9LS  H1    H   HCH1  0   0.288  -0.2281  -0.5956  -1.2135
 9LS  H2    H   HCR6  0   0.300   3.1481  -0.9429   1.2930
 9LS  H3    H   HCR6  0   0.292   3.3363   4.0632   1.2225
 9LS  H4    H   HCH1  0   0.249   2.2349  -2.0007  -0.1471
 9LS  H5    H   HCR6  0   0.288  -3.8178   3.1386  -1.0837
 9LS  H7    H   HCR6  0   0.272  -5.0171  -2.2228   4.5928
 9LS  H8    H   HCR6  0   0.268  -2.9197  -3.5361   4.4744
 9LS  H9    H   HCR6  0   0.281  -1.2886  -3.1092   2.6916
 9LS  H11   H   HCH2  0   0.244   0.2469  -3.4612  -0.2625
 9LS  H12   H   HCH2  0   0.223  -0.0605  -2.9301  -1.9092
 9LS  H13   H   HCH2  0   0.216   2.4006  -4.4427  -0.9164
 9LS  H14   H   HCH2  0   0.234   1.1042  -5.1048  -1.8928
 9LS  H15   H   HCH2  0   0.231   3.1011  -4.5153  -3.2863
 9LS  H16   H   HCH2  0   0.212   1.6846  -3.5940  -3.7604
 9LS  H17   H   HCH2  0   0.216   3.9491  -2.5998  -1.9692
 9LS  H18   H   HCH2  0   0.234   3.6417  -2.0925  -3.6185
 9LS  H19   H   HCH2  0   0.219   1.4756  -1.1170  -2.9644
 9LS  H20   H   HCH2  0   0.244   2.7789  -0.4303  -2.0040
 9LS  H21   H   HCR6  0   0.284   0.0805   0.8883  -3.1272
 9LS  H22   H   HCR6  0   0.289  -2.0039   1.1101  -4.4012
 9LS  H23   H   HCR6  0   0.273  -1.7263   2.9125   0.1933
 9LS  N9    N   NH1   0  -0.732  -1.5349  -1.2241   0.7574
 9LS  CL26  CL  CL    0  -0.116  -4.5004   2.2928  -3.7136
 9LS  H6    H   HCR6  0   0.287  -5.4553  -0.4486   2.9076
 9LS  F23   F   F     0  -0.305  -3.8328   0.1696   0.9904
 9LS  H10   H   HNH1  0   0.413  -1.9493  -0.9691  -0.1261

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
 9LS  C32   C28  aromatic  1.388  0.020  1.388
 9LS  C32   C31  aromatic  1.388  0.020  1.388
 9LS  C28   C16  aromatic  1.378  0.020  1.378
 9LS  C31   C27  aromatic  1.387  0.020  1.387
 9LS  C25   C18  aromatic  1.385  0.020  1.385
 9LS  C25   C22  aromatic  1.387  0.020  1.387
 9LS  C16   F23  single    1.342  0.020  1.342
 9LS  C16   C14  aromatic  1.391  0.020  1.391
 9LS  C18   C12  aromatic  1.393  0.020  1.393
 9LS  C27   C14  aromatic  1.391  0.020  1.391
 9LS  C14   N9   single    1.403  0.020  1.403
 9LS  N3    C5   aromatic  1.369  0.020  1.369
 9LS  N3    C2   aromatic  1.301  0.020  1.301
 9LS  CL26  C22  single    1.730  0.020  1.730
 9LS  C10   C5   aromatic  1.396  0.020  1.396
 9LS  C10   C13  aromatic  1.371  0.020  1.371
 9LS  C22   C24  aromatic  1.386  0.020  1.386
 9LS  F21   C13  single    1.339  0.020  1.339
 9LS  C5    C4   aromatic  1.403  0.020  1.403
 9LS  C12   C2   single    1.471  0.020  1.471
 9LS  C12   C19  aromatic  1.392  0.020  1.392
 9LS  C2    N1   aromatic  1.374  0.020  1.374
 9LS  N9    C6   single    1.353  0.020  1.353
 9LS  C13   C11  aromatic  1.399  0.020  1.399
 9LS  C24   C19  aromatic  1.385  0.020  1.385
 9LS  C4    N1   aromatic  1.379  0.020  1.379
 9LS  C4    C8   aromatic  1.393  0.020  1.393
 9LS  N1    C7   single    1.455  0.020  1.455
 9LS  C11   C8   aromatic  1.373  0.020  1.373
 9LS  C11   F20  single    1.339  0.020  1.339
 9LS  C6    C7   single    1.529  0.020  1.529
 9LS  C6    O15  double    1.214  0.020  1.214
 9LS  C7    C17  single    1.531  0.020  1.531
 9LS  C17   C30  single    1.529  0.020  1.529
 9LS  C17   C29  single    1.531  0.020  1.531
 9LS  C30   C34  single    1.526  0.020  1.526
 9LS  C29   C33  single    1.526  0.020  1.526
 9LS  C34   C35  single    1.524  0.020  1.524
 9LS  C33   C35  single    1.524  0.020  1.524
 9LS  C7    H1   single    0.970  0.020  1.090
 9LS  C8    H2   single    0.930  0.020  1.080
 9LS  C10   H3   single    0.930  0.020  1.080
 9LS  C17   H4   single    0.970  0.020  1.090
 9LS  C24   H5   single    0.930  0.020  1.080
 9LS  C28   H6   single    0.930  0.020  1.080
 9LS  C32   H7   single    0.930  0.020  1.080
 9LS  C31   H8   single    0.930  0.020  1.080
 9LS  C27   H9   single    0.930  0.020  1.080
 9LS  N9    H10  single    0.860  0.020  1.020
 9LS  C29   H11  single    0.970  0.020  1.090
 9LS  C29   H12  single    0.970  0.020  1.090
 9LS  C33   H13  single    0.970  0.020  1.090
 9LS  C33   H14  single    0.970  0.020  1.090
 9LS  C35   H15  single    0.970  0.020  1.090
 9LS  C35   H16  single    0.970  0.020  1.090
 9LS  C34   H17  single    0.970  0.020  1.090
 9LS  C34   H18  single    0.970  0.020  1.090
 9LS  C30   H19  single    0.970  0.020  1.090
 9LS  C30   H20  single    0.970  0.020  1.090
 9LS  C18   H21  single    0.930  0.020  1.080
 9LS  C25   H22  single    0.930  0.020  1.080
 9LS  C19   H23  single    0.930  0.020  1.080

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
 9LS  C2    N1   C7   124.91  3.000
 9LS  C7    N1   C4   128.33  3.000
 9LS  C2    N1   C4   106.13  3.000
 9LS  C2    N3   C5   105.27  3.000
 9LS  C8    C4   C5   121.54  3.000
 9LS  C8    C4   N1   133.52  3.000
 9LS  C5    C4   N1   104.94  3.000
 9LS  C10   C5   C4   121.03  3.000
 9LS  C4    C5   N3   110.33  3.000
 9LS  C10   C5   N3   128.64  3.000
 9LS  O15   C6   N9   124.54  3.000
 9LS  O15   C6   C7   121.54  3.000
 9LS  N9    C6   C7   113.91  3.000
 9LS  H1    C7   C17  106.53  3.000
 9LS  H1    C7   C6   109.34  3.000
 9LS  C17   C7   C6   112.31  3.000
 9LS  H1    C7   N1   106.18  3.000
 9LS  C17   C7   N1   114.31  3.000
 9LS  C6    C7   N1   107.92  3.000
 9LS  H2    C8   C11  119.49  3.000
 9LS  H2    C8   C4   124.11  3.000
 9LS  C11   C8   C4   116.38  3.000
 9LS  H3    C10  C13  121.20  3.000
 9LS  H3    C10  C5   121.69  3.000
 9LS  C13   C10  C5   117.11  3.000
 9LS  C11   C13  F21  118.03  3.000
 9LS  C11   C13  C10  121.50  3.000
 9LS  F21   C13  C10  120.47  3.000
 9LS  H4    C17  C30  108.45  3.000
 9LS  H4    C17  C29  107.34  3.000
 9LS  C30   C17  C29  110.45  3.000
 9LS  H4    C17  C7   109.47  3.000
 9LS  C29   C17  C7   109.77  3.000
 9LS  C30   C17  C7   111.26  3.000
 9LS  CL26  C22  C25  119.35  3.000
 9LS  CL26  C22  C24  119.37  3.000
 9LS  C25   C22  C24  121.28  3.000
 9LS  H5    C24  C19  120.19  3.000
 9LS  H5    C24  C22  120.70  3.000
 9LS  C19   C24  C22  119.11  3.000
 9LS  H6    C28  C32  121.43  3.000
 9LS  H6    C28  C16  119.85  3.000
 9LS  C32   C28  C16  118.72  3.000
 9LS  C14   C16  F23  118.10  3.000
 9LS  C14   C16  C28  122.48  3.000
 9LS  F23   C16  C28  119.42  3.000
 9LS  H7    C32  C31  120.44  3.000
 9LS  H7    C32  C28  119.57  3.000
 9LS  C31   C32  C28  119.99  3.000
 9LS  H8    C31  C27  119.39  3.000
 9LS  H8    C31  C32  120.06  3.000
 9LS  C27   C31  C32  120.54  3.000
 9LS  H9    C27  C14  120.08  3.000
 9LS  H9    C27  C31  119.72  3.000
 9LS  C14   C27  C31  120.19  3.000
 9LS  N9    C14  C27  123.21  3.000
 9LS  N9    C14  C16  118.70  3.000
 9LS  C27   C14  C16  118.08  3.000
 9LS  H12   C29  H11  106.76  3.000
 9LS  H12   C29  C33  109.48  3.000
 9LS  H11   C29  C33  109.22  3.000
 9LS  H12   C29  C17  109.25  3.000
 9LS  H11   C29  C17  110.87  3.000
 9LS  C33   C29  C17  111.15  3.000
 9LS  H14   C33  H13  106.54  3.000
 9LS  H14   C33  C35  110.52  3.000
 9LS  H13   C33  C35  109.45  3.000
 9LS  H14   C33  C29  109.57  3.000
 9LS  H13   C33  C29  109.17  3.000
 9LS  C35   C33  C29  111.48  3.000
 9LS  H16   C35  H15  106.68  3.000
 9LS  H16   C35  C34  109.21  3.000
 9LS  H15   C35  C34  110.35  3.000
 9LS  H16   C35  C33  109.24  3.000
 9LS  H15   C35  C33  110.36  3.000
 9LS  C34   C35  C33  110.90  3.000
 9LS  H18   C34  H17  106.52  3.000
 9LS  H18   C34  C30  109.60  3.000
 9LS  H17   C34  C30  109.19  3.000
 9LS  H18   C34  C35  110.49  3.000
 9LS  H17   C34  C35  109.55  3.000
 9LS  C30   C34  C35  111.37  3.000
 9LS  H20   C30  H19  106.92  3.000
 9LS  H20   C30  C34  109.68  3.000
 9LS  H19   C30  C34  108.98  3.000
 9LS  H20   C30  C17  110.78  3.000
 9LS  H19   C30  C17  109.22  3.000
 9LS  C34   C30  C17  111.15  3.000
 9LS  C12   C2   N3   123.32  3.000
 9LS  C12   C2   N1   123.36  3.000
 9LS  N3    C2   N1   113.31  3.000
 9LS  F20   C11  C13  117.95  3.000
 9LS  F20   C11  C8   119.62  3.000
 9LS  C13   C11  C8   122.42  3.000
 9LS  C19   C12  C18  119.33  3.000
 9LS  C19   C12  C2   119.00  3.000
 9LS  C18   C12  C2   121.65  3.000
 9LS  H21   C18  C25  118.97  3.000
 9LS  H21   C18  C12  120.42  3.000
 9LS  C25   C18  C12  120.60  3.000
 9LS  H22   C25  C18  120.17  3.000
 9LS  H22   C25  C22  120.75  3.000
 9LS  C18   C25  C22  119.07  3.000
 9LS  H23   C19  C12  119.96  3.000
 9LS  H23   C19  C24  119.44  3.000
 9LS  C12   C19  C24  120.60  3.000
 9LS  H10   N9   C14  116.59  3.000
 9LS  H10   N9   C6   117.68  3.000
 9LS  C14   N9   C6   125.43  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
 9LS  CONST_01  C5    N3   C2   N1      0.00   0.0  0
 9LS  CONST_04  N3    C5   C4   N1      0.00   0.0  0
 9LS  CONST_05  C10   C5   C4   N1    180.00   0.0  0
 9LS  CONST_06  C11   C8   C4   N1    180.00   0.0  0
 9LS  CONST_07  C13   C10  C5   N3    180.00   0.0  0
 9LS  CONST_08  C8    C4   C5   N3    180.00   0.0  0
 9LS  CONST_11  C4    N1   C2   N3      0.00   0.0  0
 9LS  CONST_12  C2    N3   C5   C4      0.00   0.0  0
 9LS  CONST_13  C13   C10  C5   C4      0.00   0.0  0
 9LS  CONST_14  C12   C2   N1   C4    180.00   0.0  0
 9LS  CONST_15  C13   C11  C8   C4      0.00   0.0  0
 9LS  CONST_16  C12   C2   N3   C5    180.00   0.0  0
 9LS  CONST_17  C11   C13  C10  C5      0.00   0.0  0
 9LS  CONST_18  C2    N1   C4   C5      0.00   0.0  0
 9LS  CONST_19  C11   C8   C4   C5      0.00   0.0  0
 9LS  CONST_20  C10   C5   C4   C8      0.00   0.0  0
 9LS  CONST_21  C2    N1   C4   C8    180.00   0.0  0
 9LS  CONST_22  C10   C13  C11  C8      0.00   0.0  0
 9LS  CONST_23  C2    N3   C5   C10   180.00   0.0  0
 9LS  CONST_24  C12   C18  C25  C22     0.00   0.0  0
 9LS  CONST_25  C12   C19  C24  C22     0.00   0.0  0
 9LS  CONST_26  C18   C25  C22  C24     0.00   0.0  0
 9LS  CONST_27  C18   C12  C19  C24     0.00   0.0  0
 9LS  CONST_28  C2    C12  C19  C24   180.00   0.0  0
 9LS  CONST_29  C27   C31  C32  C28     0.00   0.0  0
 9LS  CONST_30  C27   C14  C16  C28     0.00   0.0  0
 9LS  CONST_31  C31   C32  C28  C16     0.00   0.0  0
 9LS  CONST_32  C31   C27  C14  C16     0.00   0.0  0
 9LS  CONST_33  C14   C16  C28  C32     0.00   0.0  0
 9LS  CONST_34  C14   C27  C31  C32     0.00   0.0  0
 9LS  CONST_35  C25   C18  C12  C2    180.00   0.0  0
 9LS  CONST_36  C19   C12  C18  C25     0.00   0.0  0
 9LS  CONST_37  C19   C24  C22  C25     0.00   0.0  0
 9LS  CONST_38  C7    N1   C2   N3    180.00   0.0  0
 9LS  CONST_39  F20   C11  C8   C4    180.00   0.0  0
 9LS  CONST_40  F21   C13  C10  C5    180.00   0.0  0
 9LS  CONST_41  C7    N1   C4   C5    180.00   0.0  0
 9LS  CONST_42  C12   C2   N1   C7      0.00   0.0  0
 9LS  CONST_43  C8    C4   N1   C7      0.00   0.0  0
 9LS  CONST_44  F21   C13  C11  C8    180.00   0.0  0
 9LS  CONST_45  F20   C11  C13  C10   180.00   0.0  0
 9LS  CONST_46  N9    C14  C16  C28   180.00   0.0  0
 9LS  CONST_47  C32   C28  C16  F23   180.00   0.0  0
 9LS  CONST_48  C27   C14  C16  F23   180.00   0.0  0
 9LS  CONST_49  N9    C14  C27  C31   180.00   0.0  0
 9LS  CONST_50  CL26  C22  C25  C18   180.00   0.0  0
 9LS  CONST_51  C19   C24  C22  CL26  180.00   0.0  0
 9LS  CONST_52  H2    C8   C4   N1      0.00   0.0  0
 9LS  CONST_53  H3    C10  C5   N3      0.00   0.0  0
 9LS  CONST_54  H21   C18  C25  C22   180.00   0.0  0
 9LS  CONST_55  H23   C19  C24  C22   180.00   0.0  0
 9LS  CONST_56  H22   C25  C22  C24   180.00   0.0  0
 9LS  CONST_57  H8    C31  C32  C28   180.00   0.0  0
 9LS  CONST_58  H7    C32  C28  C16   180.00   0.0  0
 9LS  CONST_59  H9    C27  C14  C16   180.00   0.0  0
 9LS  CONST_60  H6    C28  C32  C31   180.00   0.0  0
 9LS  CONST_61  H5    C24  C19  C12   180.00   0.0  0
 9LS  CONST_65  C14   N9   C6   C7    180.00   0.0  0
 9LS  CONST_66  O15   C6   N9   C14     0.00   0.0  0
 9LS  Var_01    C35   C34  C30  C17    56.22  30.0  1
 9LS  Var_02    C35   C33  C29  C17   -55.87  30.0  1
 9LS  Var_03    C34   C35  C33  C29    55.32  30.0  1
 9LS  Var_04    C30   C34  C35  C33   -55.45  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
 9LS  chir_01  C7   N1   C6   C17  positiv
 9LS  chir_02  C17  C29  C30  C7   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
 9LS  plan-1  C28   0.020
 9LS  plan-1  C16   0.020
 9LS  plan-1  C32   0.020
 9LS  plan-1  C31   0.020
 9LS  plan-1  C27   0.020
 9LS  plan-1  C14   0.020
 9LS  plan-1  H7    0.020
 9LS  plan-1  H8    0.020
 9LS  plan-1  H9    0.020
 9LS  plan-1  N9    0.020
 9LS  plan-1  H6    0.020
 9LS  plan-1  F23   0.020
 9LS  plan-2  C22   0.020
 9LS  plan-2  C24   0.020
 9LS  plan-2  C2    0.020
 9LS  plan-2  C12   0.020
 9LS  plan-2  C18   0.020
 9LS  plan-2  C25   0.020
 9LS  plan-2  C19   0.020
 9LS  plan-2  H5    0.020
 9LS  plan-2  H21   0.020
 9LS  plan-2  H22   0.020
 9LS  plan-2  H23   0.020
 9LS  plan-2  CL26  0.020
 9LS  plan-3  N1    0.020
 9LS  plan-3  N3    0.020
 9LS  plan-3  C4    0.020
 9LS  plan-3  C5    0.020
 9LS  plan-3  C7    0.020
 9LS  plan-3  C8    0.020
 9LS  plan-3  C10   0.020
 9LS  plan-3  C13   0.020
 9LS  plan-3  C2    0.020
 9LS  plan-3  F21   0.020
 9LS  plan-3  C11   0.020
 9LS  plan-3  F20   0.020
 9LS  plan-3  C12   0.020
 9LS  plan-3  H2    0.020
 9LS  plan-3  H3    0.020
 9LS  plan-4  C6    0.020
 9LS  plan-4  C7    0.020
 9LS  plan-4  C14   0.020
 9LS  plan-4  O15   0.020
 9LS  plan-4  N9    0.020
 9LS  plan-4  H10   0.020

