# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Mar 22 02:03:09 2022
#   Inital geometry file: a 161 line input string
#   Ligand name: methyl (2R,3R)-3-({[3'-(aminomethyl)biphenyl-4-yl]carbonyl}amino)-2-(3-carbamimidoylbenzyl)butanoate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c2ccc(cc2)c3cccc(CN)c3
#
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
 RPR  RPR  'methyl (2R,3R)-3-({[3'-(aminomethyl)biphenyl-4-yl]carbonyl}amino)-2-(3-carbamimidoylbenzyl)butanoate'  ligand  64  34  .  2022-03-23  2022-03-23
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_RPR
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
 RPR  C1    C  CR16  0  -0.359  -1.4146  -0.1400   5.8342
 RPR  C2    C  CR6   0   0.115  -0.0250  -0.1580   5.7079
 RPR  C3    C  CR16  0  -0.328   0.7565  -0.0519   6.8588
 RPR  C4    C  CR16  0  -0.227   0.1540   0.0736   8.1010
 RPR  C5    C  CR16  0  -0.314  -1.2289   0.0924   8.2096
 RPR  C6    C  CR6   0   0.101  -2.0291  -0.0212   7.0754
 RPR  C7    C  CR16  0  -0.254   2.3900  -1.1110   2.9685
 RPR  C8    C  CR6   0  -0.052   1.8256  -0.4960   1.8542
 RPR  C9    C  CR16  0  -0.273   0.6337   0.2082   2.0100
 RPR  C10   C  CR16  0  -0.297   0.0336   0.3113   3.2537
 RPR  C11   C  CR6   0   0.090   0.6072  -0.2807   4.3794
 RPR  C12   C  CR16  0  -0.301   1.7960  -0.9955   4.2125
 RPR  N14   N  NH1   0  -0.657   2.3021   0.3543  -0.3373
 RPR  C15   C  CH1   0  -0.070   2.7504   0.3616  -1.7176
 RPR  C16   C  CH3   0  -0.661   3.8751   1.3695  -1.9099
 RPR  C17   C  CH1   0  -0.354   1.5312   0.6465  -2.6079
 RPR  C18   C  C     0   0.615   0.4271  -0.3268  -2.2497
 RPR  O19   O  O2    0  -0.442  -0.7223   0.2749  -1.9982
 RPR  C20   C  CH2   0  -0.530   1.8330   0.5059  -4.1115
 RPR  C21   C  CH2   0  -0.331  -3.5317  -0.0542   7.2111
 RPR  N22   N  NH2   0  -0.795  -4.2058   0.4491   6.0291
 RPR  C23   C  CR16  0  -0.325  -0.3010  -0.1908  -5.2502
 RPR  C24   C  CR6   0   0.072  -1.4788   0.0920  -5.9363
 RPR  C25   C  CR16  0  -0.310  -1.7297   1.4002  -6.3428
 RPR  C26   C  CR16  0  -0.227  -0.8126   2.4022  -6.0581
 RPR  C27   C  CR16  0  -0.314   0.3493   2.1097  -5.3606
 RPR  C28   C  CR6   0   0.145   0.6163   0.8070  -4.9446
 RPR  N30   N  NH2   0  -0.821  -3.2677  -0.8266  -7.2671
 RPR  N31   N  N     0  -0.642  -2.4907  -1.9871  -5.3682
 RPR  O32   O  O     0  -0.449   0.5760  -1.5240  -2.2299
 RPR  C34   C  CH3   0  -0.439  -1.8711  -0.5582  -1.8187
 RPR  H11   H  HCR6  0   0.247  -2.0391  -0.2330   4.9545
 RPR  H31   H  HCR6  0   0.254   1.8365  -0.0384   6.7837
 RPR  H41   H  HCR6  0   0.256   0.7677   0.1727   8.9871
 RPR  H51   H  HCR6  0   0.249  -1.6902   0.2021   9.1845
 RPR  H71   H  HCR6  0   0.261   3.3022  -1.6838   2.8655
 RPR  H91   H  HCR6  0   0.254   0.1461   0.6696   1.1598
 RPR  H101  H  HCR6  0   0.260  -0.8856   0.8753   3.3468
 RPR  H121  H  HCR6  0   0.260   2.2530  -1.4893   5.0606
 RPR  H141  H  HNH1  0   0.404   1.8940   1.2092   0.0095
 RPR  H151  H  HCH1  0   0.263   3.1232  -0.6381  -1.9410
 RPR  H161  H  HCH3  0   0.229   3.5385   2.3845  -1.6905
 RPR  H162  H  HCH3  0   0.249   4.7045   1.1336  -1.2436
 RPR  H163  H  HCH3  0   0.241   4.2585   1.3535  -2.9291
 RPR  H171  H  HCH1  0   0.272   1.1844   1.6678  -2.4182
 RPR  H201  H  HCH2  0   0.272   2.6376   1.1930  -4.3760
 RPR  H202  H  HCH2  0   0.262   2.1960  -0.5049  -4.3130
 RPR  H211  H  HCH2  0   0.244  -3.8392  -1.0945   7.3546
 RPR  H212  H  HCH2  0   0.216  -3.8084   0.4667   8.1376
 RPR  H221  H  HNH2  0   0.356  -5.2001   0.2854   6.1146
 RPR  H222  H  HNH2  0   0.345  -4.0891   1.4531   5.9739
 RPR  H231  H  HCR6  0   0.251  -0.1085  -1.2129  -4.9501
 RPR  H251  H  HCR6  0   0.257  -2.6454   1.6526  -6.8623
 RPR  H261  H  HCR6  0   0.259  -1.0123   3.4179  -6.3737
 RPR  H271  H  HCR6  0   0.252   1.0555   2.9009  -5.1368
 RPR  H301  H  HNH2  0   0.391  -3.8417  -1.6044  -7.5515
 RPR  H302  H  HNH2  0   0.395  -2.9314  -0.2701  -8.0357
 RPR  H311  H  H     0   0.322  -3.1719  -2.6833  -5.6610
 RPR  H341  H  HCH3  0   0.249  -2.6993   0.1163  -1.6222
 RPR  H342  H  HCH3  0   0.248  -2.0752  -1.1316  -2.7247
 RPR  H343  H  HCH3  0   0.236  -1.7476  -1.2358  -0.9743
 RPR  C13   C  C     0   0.531   2.4886  -0.6618   0.5259
 RPR  C29   C  C     0   0.333  -2.4514  -1.0072  -6.1880
 RPR  O33   O  O     0  -0.480   3.1452  -1.6599   0.2668

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
 RPR  C1   C2    aromatic  1.395  0.020  1.395
 RPR  C1   C6    aromatic  1.390  0.020  1.390
 RPR  C1   H11   single    0.930  0.020  1.080
 RPR  C2   C3    aromatic  1.395  0.020  1.395
 RPR  C2   C11   single    1.476  0.020  1.476
 RPR  C3   C4    aromatic  1.386  0.020  1.386
 RPR  C3   H31   single    0.930  0.020  1.080
 RPR  C4   C5    aromatic  1.387  0.020  1.387
 RPR  C4   H41   single    0.930  0.020  1.080
 RPR  C5   C6    aromatic  1.393  0.020  1.393
 RPR  C5   H51   single    0.930  0.020  1.080
 RPR  C6   C21   single    1.509  0.020  1.509
 RPR  C7   C8    aromatic  1.392  0.020  1.392
 RPR  C7   C12   aromatic  1.383  0.020  1.383
 RPR  C7   H71   single    0.930  0.020  1.080
 RPR  C8   C9    aromatic  1.393  0.020  1.393
 RPR  C8   C13   single    1.494  0.020  1.494
 RPR  C9   C10   aromatic  1.385  0.020  1.385
 RPR  C9   H91   single    0.930  0.020  1.080
 RPR  C10  C11   aromatic  1.395  0.020  1.395
 RPR  C10  H101  single    0.930  0.020  1.080
 RPR  C11  C12   aromatic  1.397  0.020  1.397
 RPR  C12  H121  single    0.930  0.020  1.080
 RPR  C13  N14   single    1.346  0.020  1.346
 RPR  C13  O33   double    1.222  0.020  1.222
 RPR  N14  C15   single    1.451  0.020  1.451
 RPR  N14  H141  single    0.860  0.020  1.020
 RPR  C15  C16   single    1.522  0.020  1.522
 RPR  C15  C17   single    1.536  0.020  1.536
 RPR  C15  H151  single    0.970  0.020  1.090
 RPR  C16  H161  single    0.970  0.020  1.090
 RPR  C16  H162  single    0.970  0.020  1.090
 RPR  C16  H163  single    0.970  0.020  1.090
 RPR  C17  C18   single    1.515  0.020  1.515
 RPR  C17  C20   single    1.540  0.020  1.540
 RPR  C17  H171  single    0.970  0.020  1.090
 RPR  C18  O19   single    1.322  0.020  1.322
 RPR  C18  O32   double    1.207  0.020  1.207
 RPR  O19  C34   single    1.430  0.020  1.430
 RPR  C20  C28   single    1.505  0.020  1.505
 RPR  C20  H201  single    0.970  0.020  1.090
 RPR  C20  H202  single    0.970  0.020  1.090
 RPR  C21  N22   single    1.451  0.020  1.451
 RPR  C21  H211  single    0.970  0.020  1.090
 RPR  C21  H212  single    0.970  0.020  1.090
 RPR  N22  H221  single    0.890  0.020  1.040
 RPR  N22  H222  single    0.890  0.020  1.040
 RPR  C23  C24   aromatic  1.392  0.020  1.392
 RPR  C23  C28   aromatic  1.389  0.020  1.389
 RPR  C23  H231  single    0.930  0.020  1.080
 RPR  C24  C25   aromatic  1.393  0.020  1.393
 RPR  C24  C29   single    1.489  0.020  1.489
 RPR  C25  C26   aromatic  1.388  0.020  1.388
 RPR  C25  H251  single    0.930  0.020  1.080
 RPR  C26  C27   aromatic  1.386  0.020  1.386
 RPR  C26  H261  single    0.930  0.020  1.080
 RPR  C27  C28   aromatic  1.393  0.020  1.393
 RPR  C27  H271  single    0.930  0.020  1.080
 RPR  C29  N30   single    1.365  0.020  1.365
 RPR  C29  N31   double    1.278  0.020  1.278
 RPR  N30  H301  single    0.890  0.020  1.040
 RPR  N30  H302  single    0.890  0.020  1.040
 RPR  N31  H311  single    0.890  0.020  1.040
 RPR  C34  H341  single    0.970  0.020  1.090
 RPR  C34  H342  single    0.970  0.020  1.090
 RPR  C34  H343  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
 RPR  H11   C1   C6    118.54  3.000
 RPR  H11   C1   C2    119.98  3.000
 RPR  C6    C1   C2    121.47  3.000
 RPR  C11   C2   C3    120.58  3.000
 RPR  C11   C2   C1    120.59  3.000
 RPR  C3    C2   C1    118.83  3.000
 RPR  H31   C3   C4    119.64  3.000
 RPR  H31   C3   C2    120.17  3.000
 RPR  C4    C3   C2    120.17  3.000
 RPR  H41   C4   C5    119.99  3.000
 RPR  H41   C4   C3    119.70  3.000
 RPR  C5    C4   C3    120.30  3.000
 RPR  H51   C5   C6    119.75  3.000
 RPR  H51   C5   C4    119.73  3.000
 RPR  C6    C5   C4    120.52  3.000
 RPR  C21   C6   C5    120.04  3.000
 RPR  C21   C6   C1    121.24  3.000
 RPR  C5    C6   C1    118.70  3.000
 RPR  H71   C7   C12   119.46  3.000
 RPR  H71   C7   C8    119.96  3.000
 RPR  C12   C7   C8    120.58  3.000
 RPR  C13   C8   C9    122.36  3.000
 RPR  C13   C8   C7    118.86  3.000
 RPR  C9    C8   C7    118.73  3.000
 RPR  H91   C9   C10   118.57  3.000
 RPR  H91   C9   C8    120.84  3.000
 RPR  C10   C9   C8    120.58  3.000
 RPR  H101  C10  C11   120.05  3.000
 RPR  H101  C10  C9    118.95  3.000
 RPR  C11   C10  C9    120.99  3.000
 RPR  C12   C11  C10   118.06  3.000
 RPR  C12   C11  C2    120.96  3.000
 RPR  C10   C11  C2    120.98  3.000
 RPR  H121  C12  C11   119.93  3.000
 RPR  H121  C12  C7    119.02  3.000
 RPR  C11   C12  C7    121.03  3.000
 RPR  H141  N14  C15   116.60  3.000
 RPR  H141  N14  C13   118.38  3.000
 RPR  C15   N14  C13   124.80  3.000
 RPR  H151  C15  C17   108.83  3.000
 RPR  H151  C15  C16   109.18  3.000
 RPR  C17   C15  C16   112.97  3.000
 RPR  H151  C15  N14   107.22  3.000
 RPR  C17   C15  N14   107.87  3.000
 RPR  C16   C15  N14   110.59  3.000
 RPR  H163  C16  H162  107.53  3.000
 RPR  H163  C16  H161  108.08  3.000
 RPR  H162  C16  H161  108.24  3.000
 RPR  H163  C16  C15   111.63  3.000
 RPR  H162  C16  C15   109.98  3.000
 RPR  H161  C16  C15   111.24  3.000
 RPR  H171  C17  C20   108.44  3.000
 RPR  H171  C17  C18   109.12  3.000
 RPR  C20   C17  C18   108.36  3.000
 RPR  H171  C17  C15   108.90  3.000
 RPR  C20   C17  C15   113.16  3.000
 RPR  C18   C17  C15   108.80  3.000
 RPR  O32   C18  O19   123.78  3.000
 RPR  O32   C18  C17   123.47  3.000
 RPR  O19   C18  C17   112.73  3.000
 RPR  C34   O19  C18   117.21  3.000
 RPR  H202  C20  H201  107.04  3.000
 RPR  H202  C20  C28   110.59  3.000
 RPR  H201  C20  C28   109.64  3.000
 RPR  H202  C20  C17   109.24  3.000
 RPR  H201  C20  C17   108.89  3.000
 RPR  C28   C20  C17   111.33  3.000
 RPR  H212  C21  H211  105.63  3.000
 RPR  H212  C21  N22   113.93  3.000
 RPR  H211  C21  N22   107.82  3.000
 RPR  H212  C21  C6    108.44  3.000
 RPR  H211  C21  C6    108.21  3.000
 RPR  N22   C21  C6    112.44  3.000
 RPR  H222  N22  H221  106.17  3.000
 RPR  H222  N22  C21   109.57  3.000
 RPR  H221  N22  C21   109.37  3.000
 RPR  H231  C23  C28   119.98  3.000
 RPR  H231  C23  C24   118.61  3.000
 RPR  C28   C23  C24   121.40  3.000
 RPR  C29   C24  C25   121.76  3.000
 RPR  C29   C24  C23   119.07  3.000
 RPR  C25   C24  C23   119.15  3.000
 RPR  H251  C25  C26   119.27  3.000
 RPR  H251  C25  C24   120.76  3.000
 RPR  C26   C25  C24   119.95  3.000
 RPR  H261  C26  C27   119.96  3.000
 RPR  H261  C26  C25   119.73  3.000
 RPR  C27   C26  C25   120.31  3.000
 RPR  H271  C27  C28   119.73  3.000
 RPR  H271  C27  C26   119.73  3.000
 RPR  C28   C27  C26   120.54  3.000
 RPR  C27   C28  C23   118.64  3.000
 RPR  C27   C28  C20   120.48  3.000
 RPR  C23   C28  C20   120.79  3.000
 RPR  H302  N30  H301  113.67  3.000
 RPR  H302  N30  C29   118.48  3.000
 RPR  H301  N30  C29   117.49  3.000
 RPR  H311  N31  C29   111.14  3.000
 RPR  H343  C34  H342  109.74  3.000
 RPR  H343  C34  H341  109.41  3.000
 RPR  H342  C34  H341  109.50  3.000
 RPR  H343  C34  O19   111.62  3.000
 RPR  H342  C34  O19   110.61  3.000
 RPR  H341  C34  O19   105.87  3.000
 RPR  O33   C13  N14   123.70  3.000
 RPR  O33   C13  C8    121.16  3.000
 RPR  N14   C13  C8    115.14  3.000
 RPR  N31   C29  N30   126.16  3.000
 RPR  N31   C29  C24   118.53  3.000
 RPR  N30   C29  C24   115.25  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
 RPR  CONST_01  C4    C3   C2   C1      0.00   0.0  0
 RPR  CONST_04  C4    C5   C6   C1      0.00   0.0  0
 RPR  CONST_05  C5    C6   C1   C2      0.00   0.0  0
 RPR  CONST_06  C5    C4   C3   C2      0.00   0.0  0
 RPR  CONST_07  C9    C10  C11  C2    180.00   0.0  0
 RPR  CONST_08  C7    C12  C11  C2    180.00   0.0  0
 RPR  CONST_09  C6    C1   C2   C3      0.00   0.0  0
 RPR  CONST_12  C6    C5   C4   C3      0.00   0.0  0
 RPR  CONST_13  C11   C2   C3   C4    180.00   0.0  0
 RPR  CONST_14  C11   C2   C1   C6    180.00   0.0  0
 RPR  CONST_15  C10   C9   C8   C7      0.00   0.0  0
 RPR  CONST_16  C10   C11  C12  C7      0.00   0.0  0
 RPR  CONST_17  C11   C12  C7   C8      0.00   0.0  0
 RPR  CONST_18  C11   C10  C9   C8      0.00   0.0  0
 RPR  CONST_19  C12   C7   C8   C9      0.00   0.0  0
 RPR  CONST_20  C12   C11  C10  C9      0.00   0.0  0
 RPR  CONST_21  C26   C25  C24  C23     0.00   0.0  0
 RPR  CONST_22  C26   C27  C28  C23     0.00   0.0  0
 RPR  CONST_23  C27   C28  C23  C24     0.00   0.0  0
 RPR  CONST_24  C27   C26  C25  C24     0.00   0.0  0
 RPR  CONST_25  C28   C23  C24  C25     0.00   0.0  0
 RPR  CONST_26  C28   C27  C26  C25     0.00   0.0  0
 RPR  CONST_27  C21   C6   C1   C2    180.00   0.0  0
 RPR  CONST_28  C21   C6   C5   C4    180.00   0.0  0
 RPR  CONST_29  C13   C8   C9   C10   180.00   0.0  0
 RPR  CONST_30  C13   C8   C7   C12   180.00   0.0  0
 RPR  CONST_31  C24   C23  C28  C20   180.00   0.0  0
 RPR  CONST_32  C26   C27  C28  C20   180.00   0.0  0
 RPR  CONST_33  C29   C24  C25  C26   180.00   0.0  0
 RPR  CONST_34  C29   C24  C23  C28   180.00   0.0  0
 RPR  CONST_35  H31   C3   C2   C1    180.00   0.0  0
 RPR  CONST_36  H51   C5   C6   C1    180.00   0.0  0
 RPR  CONST_37  H41   C4   C3   C2    180.00   0.0  0
 RPR  CONST_38  H101  C10  C11  C2      0.00   0.0  0
 RPR  CONST_39  H121  C12  C11  C2      0.00   0.0  0
 RPR  CONST_40  H11   C1   C2   C3    180.00   0.0  0
 RPR  CONST_41  H91   C9   C8   C7    180.00   0.0  0
 RPR  CONST_42  H71   C7   C8   C9    180.00   0.0  0
 RPR  CONST_43  H251  C25  C24  C23   180.00   0.0  0
 RPR  CONST_44  H271  C27  C28  C23   180.00   0.0  0
 RPR  CONST_45  H261  C26  C25  C24   180.00   0.0  0
 RPR  CONST_46  H231  C23  C24  C25   180.00   0.0  0
 RPR  CONST_47  C15   N14  C13  C8    180.00   0.0  0
 RPR  CONST_48  H141  N14  C13  C8      0.00   0.0  0
 RPR  CONST_49  H301  N30  C29  C24   180.00   0.0  0
 RPR  CONST_51  H311  N31  C29  C24   180.00   0.0  0
 RPR  CONST_52  O33   C13  N14  C15     0.00   0.0  0
 RPR  Var_01    N22   C21  C6   C1    -29.12  30.0  2
 RPR  Var_02    N14   C13  C8   C7   -151.64  30.0  2
 RPR  Var_03    C23   C28  C20  C17   -87.48  30.0  2
 RPR  Var_04    N30   C29  C24  C23  -154.78  30.0  2
 RPR  Var_05    H221  N22  C21  C6    172.02  30.0  3
 RPR  Var_06    H341  C34  O19  C18   179.82  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
 RPR  chir_01  C15  N14  C16  C17  positiv
 RPR  chir_02  C17  C15  C18  C20  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
 RPR  plan-1  C1    0.020
 RPR  plan-1  C2    0.020
 RPR  plan-1  C3    0.020
 RPR  plan-1  C4    0.020
 RPR  plan-1  C5    0.020
 RPR  plan-1  C6    0.020
 RPR  plan-1  C11   0.020
 RPR  plan-1  C21   0.020
 RPR  plan-1  H11   0.020
 RPR  plan-1  H31   0.020
 RPR  plan-1  H41   0.020
 RPR  plan-1  H51   0.020
 RPR  plan-2  C2    0.020
 RPR  plan-2  C7    0.020
 RPR  plan-2  C8    0.020
 RPR  plan-2  C9    0.020
 RPR  plan-2  C10   0.020
 RPR  plan-2  C11   0.020
 RPR  plan-2  C12   0.020
 RPR  plan-2  H71   0.020
 RPR  plan-2  H91   0.020
 RPR  plan-2  H101  0.020
 RPR  plan-2  H121  0.020
 RPR  plan-2  C13   0.020
 RPR  plan-3  C20   0.020
 RPR  plan-3  C23   0.020
 RPR  plan-3  C24   0.020
 RPR  plan-3  C25   0.020
 RPR  plan-3  C26   0.020
 RPR  plan-3  C27   0.020
 RPR  plan-3  C28   0.020
 RPR  plan-3  H231  0.020
 RPR  plan-3  H251  0.020
 RPR  plan-3  H261  0.020
 RPR  plan-3  H271  0.020
 RPR  plan-3  C29   0.020
 RPR  plan-4  C8    0.020
 RPR  plan-4  N14   0.020
 RPR  plan-4  C15   0.020
 RPR  plan-4  H141  0.020
 RPR  plan-4  C13   0.020
 RPR  plan-4  O33   0.020
 RPR  plan-5  C24   0.020
 RPR  plan-5  N30   0.020
 RPR  plan-5  N31   0.020
 RPR  plan-5  H301  0.020
 RPR  plan-5  H302  0.020
 RPR  plan-5  H311  0.020
 RPR  plan-5  C29   0.020
 RPR  plan-6  C17   0.020
 RPR  plan-6  C18   0.020
 RPR  plan-6  O19   0.020
 RPR  plan-6  O32   0.020

