# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  2 02:16:19 2020
#   Inital geometry file: a 148 line input string
#   Ligand name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4
#
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
 RAL  RAL  '[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone'  ligand  61  34  .  2021-08-23  2021-08-23  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_RAL
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
 RAL  C1    C  CR16  0  -0.315   1.9794   1.2768  -4.9344
 RAL  C2    C  CR16  0  -0.374   2.2333   0.9869  -6.2578
 RAL  C3    C  CR6   0   0.354   1.5189  -0.0181  -6.9287
 RAL  O3    O  OH1   0  -0.631   1.7497  -0.3172  -8.2210
 RAL  C4    C  CR16  0  -0.369   0.5428  -0.7417  -6.2626
 RAL  C5    C  CR56  0  -0.217   0.3015  -0.4357  -4.9294
 RAL  S6    S  S2    0   0.245  -0.8636  -1.2080  -3.9086
 RAL  C7    C  CR5   0  -0.291  -0.4031  -0.2391  -2.5408
 RAL  C8    C  CR6   0   0.024  -1.1110  -0.4554  -1.2781
 RAL  C9    C  CR16  0  -0.273  -1.2847  -1.7469  -0.7770
 RAL  C10   C  CR16  0  -0.318  -1.8704  -1.9638   0.4559
 RAL  C11   C  CR6   0   0.361  -2.3028  -0.8817   1.2188
 RAL  O11   O  OH1   0  -0.629  -2.8524  -1.1410   2.4198
 RAL  C12   C  CR16  0  -0.352  -2.1662   0.4108   0.7173
 RAL  C13   C  CR16  0  -0.277  -1.5821   0.6148  -0.5193
 RAL  C14   C  CR56  0   0.188   0.9962   0.5673  -4.2349
 RAL  C15   C  CR5   0   0.083   0.5889   0.6505  -2.8502
 RAL  C16   C  C     0   0.326   1.1809   1.6330  -1.9102
 RAL  O16   O  O     0  -0.407   1.4394   2.7597  -2.2984
 RAL  C17   C  CR6   0  -0.057   1.4371   1.2279  -0.5156
 RAL  C18   C  CR16  0  -0.251   1.4221   2.1986   0.4904
 RAL  C19   C  CR16  0  -0.342   1.5525   1.8453   1.8144
 RAL  C20   C  CR6   0   0.404   1.7248   0.5023   2.1696
 RAL  C21   C  CR16  0  -0.360   1.8169  -0.4657   1.1690
 RAL  C22   C  CR16  0  -0.246   1.6612  -0.0970  -0.1551
 RAL  O23   O  O2    0  -0.457   1.7925   0.2407   3.4785
 RAL  C24   C  CH2   0  -0.211   1.7792  -1.1088   3.9176
 RAL  C25   C  CH2   0  -0.295   1.5805  -1.1165   5.4179
 RAL  N26   N  NT    0  -0.411   0.3588  -0.4672   5.8406
 RAL  C27   C  CH2   0  -0.278   0.3773  -0.1573   7.2592
 RAL  C28   C  CH2   0  -0.435  -0.8277   0.6847   7.6511
 RAL  C29   C  CH2   0  -0.437  -2.1255  -0.0188   7.2737
 RAL  C30   C  CH2   0  -0.442  -2.0933  -0.4220   5.8054
 RAL  C31   C  CH2   0  -0.282  -0.8345  -1.2165   5.4896
 RAL  H1    H  HCR6  0   0.259   2.5467   2.0587  -4.4505
 RAL  H2    H  HCR6  0   0.276   2.9966   1.5453  -6.7877
 RAL  HO3   H  HOH1  0   0.477   2.4565   0.2343  -8.5740
 RAL  H4    H  HCR6  0   0.277  -0.0073  -1.5237  -6.7710
 RAL  H9    H  HCR6  0   0.258  -0.9226  -2.5994  -1.3392
 RAL  H10   H  HCR6  0   0.268  -1.9821  -2.9712   0.8360
 RAL  HO1   H  HOH1  0   0.474  -3.1209  -0.3247   2.8553
 RAL  H12   H  HCR6  0   0.272  -2.5189   1.2619   1.2882
 RAL  H13   H  HCR6  0   0.265  -1.4997   1.6258  -0.8965
 RAL  H18   H  HCR6  0   0.260   1.2594   3.2377   0.2352
 RAL  H19   H  HCR6  0   0.264   1.4991   2.5968   2.5919
 RAL  H21   H  HCR6  0   0.280   1.9954  -1.5059   1.4020
 RAL  H22   H  HCR6  0   0.270   1.7225  -0.8655  -0.9142
 RAL  H241  H  HCH2  0   0.228   0.9866  -1.6653   3.4079
 RAL  H242  H  HCH2  0   0.244   2.7264  -1.6024   3.6760
 RAL  H251  H  HCH2  0   0.206   1.6437  -2.1678   5.7475
 RAL  H252  H  HCH2  0   0.242   2.4238  -0.5999   5.8837
 RAL  H271  H  HCH2  0   0.182   0.3892  -1.0757   7.8746
 RAL  H272  H  HCH2  0   0.233   1.2988   0.3845   7.4869
 RAL  H281  H  HCH2  0   0.228  -0.7941   0.8845   8.7245
 RAL  H282  H  HCH2  0   0.214  -0.7677   1.6520   7.1435
 RAL  H291  H  HCH2  0   0.210  -2.2408  -0.9169   7.8898
 RAL  H292  H  HCH2  0   0.230  -2.9867   0.6197   7.4825
 RAL  H301  H  HCH2  0   0.229  -2.9708  -1.0204   5.5497
 RAL  H302  H  HCH2  0   0.210  -2.1158   0.4724   5.1744
 RAL  H311  H  HCH2  0   0.234  -0.8227  -1.4497   4.4242
 RAL  H312  H  HCH2  0   0.183  -0.8685  -2.1833   6.0248

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
 RAL  C1   C2    aromatic  1.378  0.020  1.378
 RAL  C1   C14   aromatic  1.400  0.020  1.400
 RAL  C1   H1    single    0.930  0.020  1.080
 RAL  C2   C3    aromatic  1.404  0.020  1.404
 RAL  C2   H2    single    0.930  0.020  1.080
 RAL  C3   O3    single    1.346  0.020  1.346
 RAL  C3   C4    aromatic  1.386  0.020  1.386
 RAL  O3   HO3   single    0.850  0.020  0.980
 RAL  C4   C5    aromatic  1.389  0.020  1.389
 RAL  C4   H4    single    0.930  0.020  1.080
 RAL  C5   S6    aromatic  1.731  0.020  1.731
 RAL  C5   C14   aromatic  1.404  0.020  1.404
 RAL  S6   C7    aromatic  1.738  0.020  1.738
 RAL  C7   C8    single    1.464  0.020  1.464
 RAL  C7   C15   aromatic  1.368  0.020  1.368
 RAL  C8   C9    aromatic  1.396  0.020  1.396
 RAL  C8   C13   aromatic  1.394  0.020  1.394
 RAL  C9   C10   aromatic  1.382  0.020  1.382
 RAL  C9   H9    single    0.930  0.020  1.080
 RAL  C10  C11   aromatic  1.393  0.020  1.393
 RAL  C10  H10   single    0.930  0.020  1.080
 RAL  C11  O11   single    1.346  0.020  1.346
 RAL  C11  C12   aromatic  1.393  0.020  1.393
 RAL  O11  HO1   single    0.850  0.020  0.980
 RAL  C12  C13   aromatic  1.383  0.020  1.383
 RAL  C12  H12   single    0.930  0.020  1.080
 RAL  C13  H13   single    0.930  0.020  1.080
 RAL  C14  C15   aromatic  1.446  0.020  1.446
 RAL  C15  C16   single    1.483  0.020  1.483
 RAL  C16  O16   double    1.219  0.020  1.219
 RAL  C16  C17   single    1.475  0.020  1.475
 RAL  C17  C18   aromatic  1.398  0.020  1.398
 RAL  C17  C22   aromatic  1.391  0.020  1.391
 RAL  C18  C19   aromatic  1.377  0.020  1.377
 RAL  C18  H18   single    0.930  0.020  1.080
 RAL  C19  C20   aromatic  1.400  0.020  1.400
 RAL  C19  H19   single    0.930  0.020  1.080
 RAL  C20  C21   aromatic  1.395  0.020  1.395
 RAL  C20  O23   single    1.336  0.020  1.336
 RAL  C21  C22   aromatic  1.383  0.020  1.383
 RAL  C21  H21   single    0.930  0.020  1.080
 RAL  C22  H22   single    0.930  0.020  1.080
 RAL  O23  C24   single    1.419  0.020  1.419
 RAL  C24  C25   single    1.513  0.020  1.513
 RAL  C24  H241  single    0.970  0.020  1.090
 RAL  C24  H242  single    0.970  0.020  1.090
 RAL  C25  N26   single    1.447  0.020  1.447
 RAL  C25  H251  single    0.970  0.020  1.090
 RAL  C25  H252  single    0.970  0.020  1.090
 RAL  N26  C27   single    1.452  0.020  1.452
 RAL  N26  C31   single    1.452  0.020  1.452
 RAL  C27  C28   single    1.521  0.020  1.521
 RAL  C27  H271  single    0.970  0.020  1.090
 RAL  C27  H272  single    0.970  0.020  1.090
 RAL  C28  C29   single    1.524  0.020  1.524
 RAL  C28  H281  single    0.970  0.020  1.090
 RAL  C28  H282  single    0.970  0.020  1.090
 RAL  C29  C30   single    1.523  0.020  1.523
 RAL  C29  H291  single    0.970  0.020  1.090
 RAL  C29  H292  single    0.970  0.020  1.090
 RAL  C30  C31   single    1.522  0.020  1.522
 RAL  C30  H301  single    0.970  0.020  1.090
 RAL  C30  H302  single    0.970  0.020  1.090
 RAL  C31  H311  single    0.970  0.020  1.090
 RAL  C31  H312  single    0.970  0.020  1.090

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
 RAL  H1    C1   C14   120.78  3.000
 RAL  H1    C1   C2    119.04  3.000
 RAL  C14   C1   C2    120.17  3.000
 RAL  H2    C2   C3    119.57  3.000
 RAL  H2    C2   C1    119.39  3.000
 RAL  C3    C2   C1    121.04  3.000
 RAL  C4    C3   O3    117.78  3.000
 RAL  C4    C3   C2    120.18  3.000
 RAL  O3    C3   C2    122.04  3.000
 RAL  HO3   O3   C3    110.51  3.000
 RAL  H4    C4   C5    121.44  3.000
 RAL  H4    C4   C3    120.62  3.000
 RAL  C5    C4   C3    117.95  3.000
 RAL  C14   C5   S6    111.11  3.000
 RAL  C14   C5   C4    123.11  3.000
 RAL  S6    C5   C4    125.78  3.000
 RAL  C7    S6   C5     92.12  3.000
 RAL  C15   C7   C8    129.94  3.000
 RAL  C15   C7   S6    112.12  3.000
 RAL  C8    C7   S6    117.93  3.000
 RAL  C13   C8   C9    118.21  3.000
 RAL  C13   C8   C7    121.31  3.000
 RAL  C9    C8   C7    120.43  3.000
 RAL  H9    C9   C10   118.75  3.000
 RAL  H9    C9   C8    120.01  3.000
 RAL  C10   C9   C8    121.20  3.000
 RAL  H10   C10  C11   119.91  3.000
 RAL  H10   C10  C9    120.20  3.000
 RAL  C11   C10  C9    119.88  3.000
 RAL  C12   C11  O11   122.68  3.000
 RAL  C12   C11  C10   119.55  3.000
 RAL  O11   C11  C10   117.76  3.000
 RAL  HO1   O11  C11   110.72  3.000
 RAL  H12   C12  C13   119.52  3.000
 RAL  H12   C12  C11   120.46  3.000
 RAL  C13   C12  C11   120.01  3.000
 RAL  H13   C13  C12   118.79  3.000
 RAL  H13   C13  C8    120.12  3.000
 RAL  C12   C13  C8    121.09  3.000
 RAL  C15   C14  C5    112.05  3.000
 RAL  C15   C14  C1    130.34  3.000
 RAL  C5    C14  C1    117.55  3.000
 RAL  C16   C15  C14   122.19  3.000
 RAL  C16   C15  C7    125.23  3.000
 RAL  C14   C15  C7    112.55  3.000
 RAL  C17   C16  O16   121.21  3.000
 RAL  C17   C16  C15   119.13  3.000
 RAL  O16   C16  C15   119.66  3.000
 RAL  C22   C17  C18   118.45  3.000
 RAL  C22   C17  C16   122.32  3.000
 RAL  C18   C17  C16   119.21  3.000
 RAL  H18   C18  C19   119.17  3.000
 RAL  H18   C18  C17   119.90  3.000
 RAL  C19   C18  C17   120.86  3.000
 RAL  H19   C19  C20   119.33  3.000
 RAL  H19   C19  C18   120.53  3.000
 RAL  C20   C19  C18   120.13  3.000
 RAL  O23   C20  C21   124.28  3.000
 RAL  O23   C20  C19   116.27  3.000
 RAL  C21   C20  C19   119.46  3.000
 RAL  H21   C21  C22   118.78  3.000
 RAL  H21   C21  C20   121.60  3.000
 RAL  C22   C21  C20   119.61  3.000
 RAL  H22   C22  C21   118.42  3.000
 RAL  H22   C22  C17   120.25  3.000
 RAL  C21   C22  C17   121.33  3.000
 RAL  C24   O23  C20   119.25  3.000
 RAL  H242  C24  H241  107.13  3.000
 RAL  H242  C24  C25   109.27  3.000
 RAL  H241  C24  C25   111.35  3.000
 RAL  H242  C24  O23   110.62  3.000
 RAL  H241  C24  O23   110.25  3.000
 RAL  C25   C24  O23   108.23  3.000
 RAL  H252  C25  H251  106.18  3.000
 RAL  H252  C25  N26   108.35  3.000
 RAL  H251  C25  N26   112.88  3.000
 RAL  H252  C25  C24   108.58  3.000
 RAL  H251  C25  C24   107.06  3.000
 RAL  N26   C25  C24   113.47  3.000
 RAL  C31   N26  C27   110.90  3.000
 RAL  C31   N26  C25   113.06  3.000
 RAL  C27   N26  C25   111.74  3.000
 RAL  H272  C27  H271  106.67  3.000
 RAL  H272  C27  C28   109.86  3.000
 RAL  H271  C27  C28   108.96  3.000
 RAL  H272  C27  N26   108.66  3.000
 RAL  H271  C27  N26   111.51  3.000
 RAL  C28   C27  N26   111.08  3.000
 RAL  H282  C28  H281  107.01  3.000
 RAL  H282  C28  C29   109.88  3.000
 RAL  H281  C28  C29   110.74  3.000
 RAL  H282  C28  C27   109.05  3.000
 RAL  H281  C28  C27   109.27  3.000
 RAL  C29   C28  C27   110.81  3.000
 RAL  H292  C29  H291  106.79  3.000
 RAL  H292  C29  C30   110.84  3.000
 RAL  H291  C29  C30   109.12  3.000
 RAL  H292  C29  C28   110.75  3.000
 RAL  H291  C29  C28   109.21  3.000
 RAL  C30   C29  C28   110.06  3.000
 RAL  H302  C30  H301  107.22  3.000
 RAL  H302  C30  C31   108.89  3.000
 RAL  H301  C30  C31   109.26  3.000
 RAL  H302  C30  C29   109.81  3.000
 RAL  H301  C30  C29   110.72  3.000
 RAL  C31   C30  C29   110.84  3.000
 RAL  H312  C31  H311  106.63  3.000
 RAL  H312  C31  C30   109.31  3.000
 RAL  H311  C31  C30   108.86  3.000
 RAL  H312  C31  N26   111.07  3.000
 RAL  H311  C31  N26   109.72  3.000
 RAL  C30   C31  N26   111.12  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
 RAL  CONST_01  C4   C3   C2   C1      0.00   0.0  0
 RAL  CONST_02  C4   C5   C14  C1      0.00   0.0  0
 RAL  CONST_03  S6   C5   C14  C1    180.00   0.0  0
 RAL  CONST_04  C7   C15  C14  C1    180.00   0.0  0
 RAL  CONST_05  C5   C14  C1   C2      0.00   0.0  0
 RAL  CONST_06  C15  C14  C1   C2    180.00   0.0  0
 RAL  CONST_07  C5   C4   C3   C2      0.00   0.0  0
 RAL  CONST_08  C14  C1   C2   C3      0.00   0.0  0
 RAL  CONST_09  S6   C5   C4   C3    180.00   0.0  0
 RAL  CONST_10  C14  C5   C4   C3      0.00   0.0  0
 RAL  CONST_11  C7   S6   C5   C4    180.00   0.0  0
 RAL  CONST_12  C15  C14  C5   C4    180.00   0.0  0
 RAL  CONST_13  C8   C7   S6   C5    180.00   0.0  0
 RAL  CONST_14  C15  C7   S6   C5      0.00   0.0  0
 RAL  CONST_15  C7   C15  C14  C5      0.00   0.0  0
 RAL  CONST_16  C15  C14  C5   S6      0.00   0.0  0
 RAL  CONST_19  C14  C15  C7   S6      0.00   0.0  0
 RAL  CONST_20  C14  C5   S6   C7      0.00   0.0  0
 RAL  CONST_21  C10  C9   C8   C7    180.00   0.0  0
 RAL  CONST_22  C12  C13  C8   C7    180.00   0.0  0
 RAL  CONST_23  C14  C15  C7   C8    180.00   0.0  0
 RAL  CONST_24  C11  C10  C9   C8      0.00   0.0  0
 RAL  CONST_25  C11  C12  C13  C8      0.00   0.0  0
 RAL  CONST_27  C12  C13  C8   C9      0.00   0.0  0
 RAL  CONST_28  C12  C11  C10  C9      0.00   0.0  0
 RAL  CONST_29  C13  C8   C9   C10     0.00   0.0  0
 RAL  CONST_30  C13  C12  C11  C10     0.00   0.0  0
 RAL  CONST_32  C20  C19  C18  C17     0.00   0.0  0
 RAL  CONST_33  C20  C21  C22  C17     0.00   0.0  0
 RAL  CONST_34  C21  C22  C17  C18     0.00   0.0  0
 RAL  CONST_35  C21  C20  C19  C18     0.00   0.0  0
 RAL  CONST_36  C22  C17  C18  C19     0.00   0.0  0
 RAL  CONST_37  C22  C21  C20  C19     0.00   0.0  0
 RAL  CONST_38  O3   C3   C2   C1    180.00   0.0  0
 RAL  CONST_39  C16  C15  C14  C1      0.00   0.0  0
 RAL  CONST_40  C5   C4   C3   O3    180.00   0.0  0
 RAL  CONST_41  C16  C15  C14  C5    180.00   0.0  0
 RAL  CONST_42  C16  C15  C7   S6    180.00   0.0  0
 RAL  CONST_43  C16  C15  C7   C8      0.00   0.0  0
 RAL  CONST_44  O11  C11  C10  C9    180.00   0.0  0
 RAL  CONST_45  C13  C12  C11  O11   180.00   0.0  0
 RAL  CONST_46  C19  C18  C17  C16   180.00   0.0  0
 RAL  CONST_47  C21  C22  C17  C16   180.00   0.0  0
 RAL  CONST_48  O23  C20  C19  C18   180.00   0.0  0
 RAL  CONST_49  O23  C20  C21  C22   180.00   0.0  0
 RAL  CONST_50  H4   C4   C3   C2    180.00   0.0  0
 RAL  CONST_51  H1   C1   C2   C3    180.00   0.0  0
 RAL  CONST_52  H2   C2   C3   C4    180.00   0.0  0
 RAL  CONST_53  H9   C9   C8   C7      0.00   0.0  0
 RAL  CONST_54  H13  C13  C8   C7      0.00   0.0  0
 RAL  CONST_55  H10  C10  C9   C8    180.00   0.0  0
 RAL  CONST_56  H12  C12  C13  C8    180.00   0.0  0
 RAL  CONST_57  H19  C19  C18  C17   180.00   0.0  0
 RAL  CONST_58  H21  C21  C22  C17   180.00   0.0  0
 RAL  CONST_59  H22  C22  C17  C18   180.00   0.0  0
 RAL  CONST_60  H18  C18  C19  C20   180.00   0.0  0
 RAL  Var_01    C29  C28  C27  N26    56.68  30.0  1
 RAL  Var_02    C29  C30  C31  N26   -56.56  30.0  1
 RAL  Var_03    C30  C31  N26  C27    60.28  30.0  1
 RAL  Var_04    C30  C29  C28  C27   -52.59  30.0  1
 RAL  Var_05    C31  N26  C27  C28   -60.34  30.0  1
 RAL  Var_06    C31  C30  C29  C28    52.52  30.0  1
 RAL  Var_07    C17  C16  C15  C7     39.89  30.0  2
 RAL  Var_08    C18  C17  C16  C15  -152.17  30.0  2
 RAL  Var_09    C27  N26  C25  C24  -163.79  30.0  3
 RAL  Var_10    C25  C24  O23  C20  -168.60  30.0  3
 RAL  Var_11    N26  C25  C24  O23    58.67  30.0  3

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
 RAL  plan-1  C7   0.020
 RAL  plan-1  C8   0.020
 RAL  plan-1  C9   0.020
 RAL  plan-1  C10  0.020
 RAL  plan-1  C11  0.020
 RAL  plan-1  O11  0.020
 RAL  plan-1  C12  0.020
 RAL  plan-1  C13  0.020
 RAL  plan-1  H9   0.020
 RAL  plan-1  H10  0.020
 RAL  plan-1  H12  0.020
 RAL  plan-1  H13  0.020
 RAL  plan-2  C16  0.020
 RAL  plan-2  C17  0.020
 RAL  plan-2  C18  0.020
 RAL  plan-2  C19  0.020
 RAL  plan-2  C20  0.020
 RAL  plan-2  C21  0.020
 RAL  plan-2  C22  0.020
 RAL  plan-2  O23  0.020
 RAL  plan-2  H18  0.020
 RAL  plan-2  H19  0.020
 RAL  plan-2  H21  0.020
 RAL  plan-2  H22  0.020
 RAL  plan-3  C1   0.020
 RAL  plan-3  C2   0.020
 RAL  plan-3  C3   0.020
 RAL  plan-3  O3   0.020
 RAL  plan-3  C4   0.020
 RAL  plan-3  C5   0.020
 RAL  plan-3  S6   0.020
 RAL  plan-3  C7   0.020
 RAL  plan-3  C8   0.020
 RAL  plan-3  C14  0.020
 RAL  plan-3  C15  0.020
 RAL  plan-3  C16  0.020
 RAL  plan-3  H1   0.020
 RAL  plan-3  H2   0.020
 RAL  plan-3  H4   0.020
 RAL  plan-4  C15  0.020
 RAL  plan-4  C16  0.020
 RAL  plan-4  O16  0.020
 RAL  plan-4  C17  0.020

