# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Mar 11 08:55:31 2022
#   Inital geometry file: a 155 line input string
#   Ligand name: 3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN1C[C@@H](C[C@@H](C1)c2ccc(OCc3ccccc3)cc2)NC4=Nc5cc[nH]c5C(=O)N4C
#
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
 FVR  FVR  3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one  ligand  62  33  .  2022-03-18  2022-03-18
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_FVR
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
 FVR  C10   C  CH2   0  -0.264  17.8303   6.2984  10.7853
 FVR  C11   C  CH1   0  -0.072  18.7025   6.6439  11.9912
 FVR  C12   C  CH2   0  -0.427  17.9819   7.6373  12.8934
 FVR  C14   C  CR6   0   0.740  20.0457   4.6287  12.3917
 FVR  C16   C  CR6   0   0.533  21.2219   2.5475  12.9192
 FVR  C18   C  CR56  0   0.121  22.0246   2.9130  11.8118
 FVR  C19   C  CR56  0   0.204  21.8027   4.0750  11.0897
 FVR  C21   C  CR15  0  -0.424  22.7882   4.1239  10.0729
 FVR  C01   C  CR6   0   0.368  15.2526  11.7372  14.3842
 FVR  C02   C  CR16  0  -0.363  14.8774  10.3962  14.3753
 FVR  C03   C  CR16  0  -0.306  15.6207   9.4749  13.6464
 FVR  C04   C  CR6   0   0.164  16.7456   9.8478  12.9193
 FVR  C05   C  CR16  0  -0.314  17.1061  11.1946  12.9449
 FVR  C06   C  CR16  0  -0.328  16.3789  12.1291  13.6604
 FVR  C07   C  CH1   0  -0.357  17.5290   8.8589  12.0935
 FVR  C08   C  CH2   0  -0.242  16.7215   8.4173  10.8722
 FVR  C22   C  CR15  0  -0.018  23.5581   2.9912  10.2269
 FVR  C27   C  CH2   0  -0.267  13.4247  12.3682  15.7729
 FVR  C28   C  CR6   0   0.102  12.8631  13.6312  16.3524
 FVR  C29   C  CR16  0  -0.286  12.1591  14.5189  15.5421
 FVR  C30   C  CR16  0  -0.241  11.6536  15.7000  16.0647
 FVR  C31   C  CR16  0  -0.260  11.8463  16.0054  17.4070
 FVR  C32   C  CR16  0  -0.239  12.5448  15.1254  18.2217
 FVR  C33   C  CR16  0  -0.299  13.0523  13.9446  17.6939
 FVR  N09   N  NT    0  -0.415  17.4754   7.4938  10.0494
 FVR  N13   N  NH1   0  -0.709  19.0474   5.4661  12.7607
 FVR  N15   N  NR6   0  -0.591  20.2245   3.5021  13.1779
 FVR  N20   N  N     0  -0.532  20.7907   4.9353  11.3705
 FVR  N23   N  NR15  0  -0.647  23.0984   2.2644  11.2691
 FVR  O17   O  O     0  -0.486  21.3486   1.5417  13.6049
 FVR  O26   O  O2    0  -0.468  14.5999  12.7117  15.0528
 FVR  H101  H  HCH2  0   0.185  16.9365   5.7508  11.1387
 FVR  H102  H  HCH2  0   0.241  18.3774   5.6250  10.1221
 FVR  H111  H  HCH1  0   0.247  19.6301   7.0920  11.6309
 FVR  H122  H  HCH2  0   0.225  17.1106   7.1449  13.3403
 FVR  H121  H  HCH2  0   0.251  18.6327   7.9439  13.7156
 FVR  H211  H  HCR5  0   0.248  22.9207   4.8868   9.3226
 FVR  H021  H  HCR6  0   0.276  14.0143  10.0462  14.9254
 FVR  H031  H  HCR6  0   0.249  15.2978   8.4405  13.6554
 FVR  H051  H  HCR6  0   0.247  17.9769  11.5237  12.3894
 FVR  H061  H  HCR6  0   0.256  16.6795  13.1696  13.6632
 FVR  H071  H  HCH1  0   0.244  18.4250   9.3684  11.7228
 FVR  H082  H  HCH2  0   0.239  16.4668   9.2950  10.2723
 FVR  H081  H  HCH2  0   0.189  15.7654   7.9746  11.2085
 FVR  H221  H  HCR5  0   0.282  24.4086   2.6566   9.6550
 FVR  H242  H  HCH3  0   0.287  19.7499   2.4351  14.8934
 FVR  H241  H  HCH3  0   0.263  19.4107   4.1628  14.9991
 FVR  H243  H  HCH3  0   0.261  18.3468   3.0919  14.0575
 FVR  H252  H  HCH3  0   0.232  16.5567   8.0868   8.2704
 FVR  H253  H  HCH3  0   0.233  17.3762   6.5266   8.2002
 FVR  H251  H  HCH3  0   0.191  15.8066   6.6634   9.0078
 FVR  H272  H  HCH2  0   0.237  12.6942  11.8995  15.1042
 FVR  H271  H  HCH2  0   0.241  13.6565  11.6513  16.5678
 FVR  H291  H  HCR6  0   0.253  11.9982  14.2804  14.4971
 FVR  H301  H  HCR6  0   0.256  11.1053  16.3813  15.4270
 FVR  H311  H  HCR6  0   0.257  11.4481  16.9249  17.8163
 FVR  H321  H  HCR6  0   0.256  12.6945  15.3561  19.2685
 FVR  H331  H  HCR6  0   0.254  13.5968  13.2590  18.3325
 FVR  H131  H  HNH1  0   0.410  18.3195   5.1163  13.3622
 FVR  H231  H  HNR5  0   0.413  23.4879   1.3950  11.5952
 FVR  C24   C  CH3   0  -0.584  19.3794   3.2925  14.3453
 FVR  C25   C  CH3   0  -0.517  16.7658   7.1746   8.8310

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
 FVR  C25  N09   single    1.446  0.020  1.446
 FVR  C21  C22   aromatic  1.378  0.020  1.378
 FVR  C21  C19   aromatic  1.417  0.020  1.417
 FVR  C22  N23   aromatic  1.351  0.020  1.351
 FVR  N09  C10   single    1.448  0.020  1.448
 FVR  N09  C08   single    1.449  0.020  1.449
 FVR  C10  C11   single    1.528  0.020  1.528
 FVR  N23  C18   aromatic  1.367  0.020  1.367
 FVR  C08  C07   single    1.529  0.020  1.529
 FVR  C19  N20   single    1.358  0.020  1.358
 FVR  C19  C18   aromatic  1.386  0.020  1.386
 FVR  N20  C14   double    1.301  0.020  1.301
 FVR  C18  C16   single    1.416  0.020  1.416
 FVR  C11  N13   single    1.449  0.020  1.449
 FVR  C11  C12   single    1.523  0.020  1.523
 FVR  C07  C12   single    1.529  0.020  1.529
 FVR  C07  C04   single    1.508  0.020  1.508
 FVR  C14  N13   single    1.354  0.020  1.354
 FVR  C14  N15   single    1.385  0.020  1.385
 FVR  C16  N15   single    1.405  0.020  1.405
 FVR  C16  O17   double    1.224  0.020  1.224
 FVR  N15  C24   single    1.456  0.020  1.456
 FVR  C05  C04   aromatic  1.394  0.020  1.394
 FVR  C05  C06   aromatic  1.383  0.020  1.383
 FVR  C04  C03   aromatic  1.390  0.020  1.390
 FVR  C06  C01   aromatic  1.395  0.020  1.395
 FVR  C03  C02   aromatic  1.390  0.020  1.390
 FVR  C01  C02   aromatic  1.392  0.020  1.392
 FVR  C01  O26   single    1.350  0.020  1.350
 FVR  O26  C27   single    1.420  0.020  1.420
 FVR  C29  C30   aromatic  1.387  0.020  1.387
 FVR  C29  C28   aromatic  1.393  0.020  1.393
 FVR  C30  C31   aromatic  1.390  0.020  1.390
 FVR  C27  C28   single    1.499  0.020  1.499
 FVR  C28  C33   aromatic  1.391  0.020  1.391
 FVR  C31  C32   aromatic  1.388  0.020  1.388
 FVR  C33  C32   aromatic  1.389  0.020  1.389
 FVR  C10  H101  single    0.970  0.020  1.090
 FVR  C10  H102  single    0.970  0.020  1.090
 FVR  C11  H111  single    0.970  0.020  1.090
 FVR  C12  H122  single    0.970  0.020  1.090
 FVR  C12  H121  single    0.970  0.020  1.090
 FVR  C21  H211  single    0.930  0.020  1.080
 FVR  C02  H021  single    0.930  0.020  1.080
 FVR  C03  H031  single    0.930  0.020  1.080
 FVR  C05  H051  single    0.930  0.020  1.080
 FVR  C06  H061  single    0.930  0.020  1.080
 FVR  C07  H071  single    0.970  0.020  1.090
 FVR  C08  H082  single    0.970  0.020  1.090
 FVR  C08  H081  single    0.970  0.020  1.090
 FVR  C22  H221  single    0.930  0.020  1.080
 FVR  C24  H242  single    0.970  0.020  1.090
 FVR  C24  H241  single    0.970  0.020  1.090
 FVR  C24  H243  single    0.970  0.020  1.090
 FVR  C25  H252  single    0.970  0.020  1.090
 FVR  C25  H253  single    0.970  0.020  1.090
 FVR  C25  H251  single    0.970  0.020  1.090
 FVR  C27  H272  single    0.970  0.020  1.090
 FVR  C27  H271  single    0.970  0.020  1.090
 FVR  C29  H291  single    0.930  0.020  1.080
 FVR  C30  H301  single    0.930  0.020  1.080
 FVR  C31  H311  single    0.930  0.020  1.080
 FVR  C32  H321  single    0.930  0.020  1.080
 FVR  C33  H331  single    0.930  0.020  1.080
 FVR  N13  H131  single    0.890  0.020  1.040
 FVR  N23  H231  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
 FVR  H102  C10  H101  107.07  3.000
 FVR  H102  C10  N09   108.86  3.000
 FVR  H101  C10  N09   111.90  3.000
 FVR  H102  C10  C11   109.43  3.000
 FVR  H101  C10  C11   108.73  3.000
 FVR  N09   C10  C11   110.76  3.000
 FVR  H111  C11  N13   107.88  3.000
 FVR  H111  C11  C12   109.26  3.000
 FVR  N13   C11  C12   109.16  3.000
 FVR  H111  C11  C10   108.51  3.000
 FVR  C12   C11  C10   110.17  3.000
 FVR  N13   C11  C10   111.80  3.000
 FVR  H121  C12  H122  107.03  3.000
 FVR  H121  C12  C07   110.25  3.000
 FVR  H122  C12  C07   109.68  3.000
 FVR  H121  C12  C11   110.30  3.000
 FVR  H122  C12  C11   108.94  3.000
 FVR  C07   C12  C11   110.57  3.000
 FVR  N20   C14  N15   124.29  3.000
 FVR  N15   C14  N13   116.32  3.000
 FVR  N20   C14  N13   119.36  3.000
 FVR  O17   C16  N15   121.93  3.000
 FVR  O17   C16  C18   126.28  3.000
 FVR  N15   C16  C18   111.79  3.000
 FVR  N23   C18  C19   108.47  3.000
 FVR  C19   C18  C16   122.22  3.000
 FVR  N23   C18  C16   129.31  3.000
 FVR  N20   C19  C21   130.17  3.000
 FVR  N20   C19  C18   122.88  3.000
 FVR  C21   C19  C18   106.95  3.000
 FVR  H211  C21  C22   126.20  3.000
 FVR  H211  C21  C19   127.54  3.000
 FVR  C22   C21  C19   106.26  3.000
 FVR  O26   C01  C06   116.39  3.000
 FVR  O26   C01  C02   124.61  3.000
 FVR  C06   C01  C02   119.00  3.000
 FVR  H021  C02  C03   118.61  3.000
 FVR  H021  C02  C01   121.56  3.000
 FVR  C03   C02  C01   119.83  3.000
 FVR  H031  C03  C04   120.09  3.000
 FVR  H031  C03  C02   117.97  3.000
 FVR  C04   C03  C02   121.94  3.000
 FVR  C07   C04  C05   120.61  3.000
 FVR  C05   C04  C03   117.30  3.000
 FVR  C07   C04  C03   122.06  3.000
 FVR  H051  C05  C06   118.83  3.000
 FVR  H051  C05  C04   119.43  3.000
 FVR  C06   C05  C04   121.73  3.000
 FVR  H061  C06  C05   120.29  3.000
 FVR  H061  C06  C01   119.52  3.000
 FVR  C05   C06  C01   120.20  3.000
 FVR  H071  C07  C08   107.21  3.000
 FVR  H071  C07  C04   107.77  3.000
 FVR  C08   C07  C04   110.64  3.000
 FVR  H071  C07  C12   107.84  3.000
 FVR  C04   C07  C12   113.05  3.000
 FVR  C08   C07  C12   110.09  3.000
 FVR  H081  C08  H082  106.67  3.000
 FVR  H081  C08  N09   111.56  3.000
 FVR  H082  C08  N09   108.74  3.000
 FVR  H081  C08  C07   109.22  3.000
 FVR  H082  C08  C07   109.23  3.000
 FVR  N09   C08  C07   111.28  3.000
 FVR  H221  C22  N23   120.70  3.000
 FVR  H221  C22  C21   129.53  3.000
 FVR  N23   C22  C21   109.77  3.000
 FVR  H271  C27  H272  107.70  3.000
 FVR  H271  C27  O26   110.56  3.000
 FVR  H272  C27  O26   110.22  3.000
 FVR  H271  C27  C28   110.50  3.000
 FVR  H272  C27  C28   110.28  3.000
 FVR  O26   C27  C28   107.60  3.000
 FVR  C33   C28  C29   119.10  3.000
 FVR  C33   C28  C27   120.79  3.000
 FVR  C29   C28  C27   120.10  3.000
 FVR  H291  C29  C30   119.77  3.000
 FVR  H291  C29  C28   119.71  3.000
 FVR  C30   C29  C28   120.51  3.000
 FVR  H301  C30  C31   120.06  3.000
 FVR  H301  C30  C29   119.91  3.000
 FVR  C31   C30  C29   120.03  3.000
 FVR  H311  C31  C32   120.12  3.000
 FVR  H311  C31  C30   120.05  3.000
 FVR  C32   C31  C30   119.83  3.000
 FVR  H321  C32  C33   119.87  3.000
 FVR  H321  C32  C31   120.15  3.000
 FVR  C33   C32  C31   119.98  3.000
 FVR  H331  C33  C32   119.82  3.000
 FVR  H331  C33  C28   119.63  3.000
 FVR  C32   C33  C28   120.55  3.000
 FVR  C25   N09  C08   111.35  3.000
 FVR  C08   N09  C10   111.42  3.000
 FVR  C25   N09  C10   111.49  3.000
 FVR  H131  N13  C14   118.73  3.000
 FVR  H131  N13  C11   115.32  3.000
 FVR  C14   N13  C11   122.24  3.000
 FVR  C24   N15  C16   117.51  3.000
 FVR  C24   N15  C14   119.80  3.000
 FVR  C16   N15  C14   122.67  3.000
 FVR  C19   N20  C14   116.10  3.000
 FVR  H231  N23  C22   125.63  3.000
 FVR  H231  N23  C18   125.81  3.000
 FVR  C22   N23  C18   108.56  3.000
 FVR  C27   O26  C01   118.45  3.000
 FVR  H243  C24  H241  109.43  3.000
 FVR  H243  C24  H242  108.17  3.000
 FVR  H241  C24  H242  108.61  3.000
 FVR  H243  C24  N15   111.37  3.000
 FVR  H241  C24  N15   110.47  3.000
 FVR  H242  C24  N15   108.73  3.000
 FVR  H251  C25  H253  107.73  3.000
 FVR  H251  C25  H252  107.68  3.000
 FVR  H253  C25  H252  107.87  3.000
 FVR  H251  C25  N09   113.25  3.000
 FVR  H253  C25  N09   110.11  3.000
 FVR  H252  C25  N09   110.03  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
 FVR  CONST_01  C21   C22  N23  C18     0.00   0.0  0
 FVR  CONST_02  C22   C21  C19  C18     0.00   0.0  0
 FVR  CONST_03  N23   C22  C21  C19     0.00   0.0  0
 FVR  CONST_04  C22   N23  C18  C19     0.00   0.0  0
 FVR  CONST_05  N23   C18  C19  C21     0.00   0.0  0
 FVR  CONST_06  C04   C05  C06  C01     0.00   0.0  0
 FVR  CONST_07  C04   C03  C02  C01     0.00   0.0  0
 FVR  CONST_08  C05   C04  C03  C02     0.00   0.0  0
 FVR  CONST_09  C05   C06  C01  C02     0.00   0.0  0
 FVR  CONST_10  C06   C05  C04  C03     0.00   0.0  0
 FVR  CONST_11  C06   C01  C02  C03     0.00   0.0  0
 FVR  CONST_12  C31   C30  C29  C28     0.00   0.0  0
 FVR  CONST_13  C31   C32  C33  C28     0.00   0.0  0
 FVR  CONST_14  C32   C31  C30  C29     0.00   0.0  0
 FVR  CONST_15  C32   C33  C28  C29     0.00   0.0  0
 FVR  CONST_16  C33   C28  C29  C30     0.00   0.0  0
 FVR  CONST_17  C33   C32  C31  C30     0.00   0.0  0
 FVR  CONST_18  C07   C04  C03  C02   180.00   0.0  0
 FVR  CONST_19  C07   C04  C05  C06   180.00   0.0  0
 FVR  CONST_20  C18   C16  N15  C14     0.00   0.0  0
 FVR  CONST_21  N20   C14  N15  C16     0.00   0.0  0
 FVR  CONST_22  N15   C14  N20  C19     0.00   0.0  0
 FVR  CONST_23  O26   C01  C02  C03   180.00   0.0  0
 FVR  CONST_24  O26   C01  C06  C05   180.00   0.0  0
 FVR  CONST_25  C30   C29  C28  C27   180.00   0.0  0
 FVR  CONST_26  C32   C33  C28  C27   180.00   0.0  0
 FVR  CONST_27  N20   C14  N13  C11     0.00   0.0  0
 FVR  CONST_28  N15   C14  N13  C11   180.00   0.0  0
 FVR  CONST_29  O17   C16  N15  C14   180.00   0.0  0
 FVR  CONST_30  N13   C14  N15  C16   180.00   0.0  0
 FVR  CONST_31  C24   N15  C16  C18   180.00   0.0  0
 FVR  CONST_32  N13   C14  N20  C19   180.00   0.0  0
 FVR  CONST_33  N20   C14  N15  C24   180.00   0.0  0
 FVR  CONST_34  H231  N23  C18  C16     0.00   0.0  0
 FVR  CONST_35  H221  C22  N23  C18   180.00   0.0  0
 FVR  CONST_36  H211  C21  C19  C18   180.00   0.0  0
 FVR  CONST_37  H051  C05  C06  C01   180.00   0.0  0
 FVR  CONST_38  H031  C03  C02  C01   180.00   0.0  0
 FVR  CONST_39  H061  C06  C01  C02   180.00   0.0  0
 FVR  CONST_40  H021  C02  C03  C04   180.00   0.0  0
 FVR  CONST_41  H301  C30  C29  C28   180.00   0.0  0
 FVR  CONST_42  H321  C32  C33  C28   180.00   0.0  0
 FVR  CONST_43  H311  C31  C30  C29   180.00   0.0  0
 FVR  CONST_44  H331  C33  C28  C29   180.00   0.0  0
 FVR  CONST_45  H291  C29  C30  C31   180.00   0.0  0
 FVR  CONST_46  N13   C14  N15  C24     0.00   0.0  0
 FVR  CONST_47  O17   C16  N15  C24     0.00   0.0  0
 FVR  Var_01    C07   C08  N09  C10    60.33  30.0  1
 FVR  Var_02    C08   N09  C10  C11   -60.79  30.0  1
 FVR  Var_03    C28   C27  O26  C01  -176.95  30.0  3
 FVR  Var_04    O26   C27  C28  C29    77.22  30.0  2
 FVR  Var_05    H252  C25  N09  C10  -177.03  30.0  3
 FVR  Var_06    H242  C24  N15  C14  -172.97  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
 FVR  chir_01  C11  C10  N13  C12  positiv
 FVR  chir_02  C07  C08  C12  C04  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
 FVR  plan-1  C01   0.020
 FVR  plan-1  C02   0.020
 FVR  plan-1  C03   0.020
 FVR  plan-1  C04   0.020
 FVR  plan-1  C05   0.020
 FVR  plan-1  C06   0.020
 FVR  plan-1  C07   0.020
 FVR  plan-1  O26   0.020
 FVR  plan-1  H021  0.020
 FVR  plan-1  H031  0.020
 FVR  plan-1  H051  0.020
 FVR  plan-1  H061  0.020
 FVR  plan-2  C27   0.020
 FVR  plan-2  C28   0.020
 FVR  plan-2  C29   0.020
 FVR  plan-2  C30   0.020
 FVR  plan-2  C31   0.020
 FVR  plan-2  C32   0.020
 FVR  plan-2  C33   0.020
 FVR  plan-2  H291  0.020
 FVR  plan-2  H301  0.020
 FVR  plan-2  H311  0.020
 FVR  plan-2  H321  0.020
 FVR  plan-2  H331  0.020
 FVR  plan-3  C11   0.020
 FVR  plan-3  C14   0.020
 FVR  plan-3  C16   0.020
 FVR  plan-3  C18   0.020
 FVR  plan-3  C19   0.020
 FVR  plan-3  C21   0.020
 FVR  plan-3  C22   0.020
 FVR  plan-3  N13   0.020
 FVR  plan-3  N15   0.020
 FVR  plan-3  N20   0.020
 FVR  plan-3  N23   0.020
 FVR  plan-3  O17   0.020
 FVR  plan-3  H211  0.020
 FVR  plan-3  H221  0.020
 FVR  plan-3  H131  0.020
 FVR  plan-3  H231  0.020
 FVR  plan-3  C24   0.020

