# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  2 18:04:53 2020
#   Inital geometry file: a 152 line input string
#   Ligand name: N-(4-{[3-butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}phenyl)acetamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCCCN1C(=O)N(Cc2ccccc2F)C(=O)c3[nH]c(Cc4ccc(NC(C)=O)cc4)nc13
#
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
 FTB  FTB  N-(4-{[3-butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}phenyl)acetamide  ligand  60  34  .  2021-08-09  2021-08-09  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_FTB
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
 FTB  O33   O  O     0  -0.469  -0.4437  -2.5314   6.7411
 FTB  C32   C  C     0   0.505  -1.6153  -2.1993   6.7121
 FTB  C34   C  CH3   0  -0.788  -2.6706  -2.8738   7.5516
 FTB  N31   N  NH1   0  -0.730  -2.0945  -1.1786   5.9521
 FTB  C28   C  CR6   0   0.362  -1.4119  -0.3025   5.1043
 FTB  C29   C  CR16  0  -0.302  -0.0574  -0.4063   4.7802
 FTB  C30   C  CR16  0  -0.279   0.5167   0.5173   3.9193
 FTB  C27   C  CR16  0  -0.335  -2.1551   0.7393   4.5448
 FTB  C26   C  CR16  0  -0.293  -1.5656   1.6513   3.6871
 FTB  C25   C  CR6   0   0.114  -0.2172   1.5574   3.3621
 FTB  C24   C  CH2   0  -0.642   0.4255   2.5327   2.4053
 FTB  C1    C  CR5   0   0.494   0.5427   1.9418   1.0432
 FTB  N2    N  N     0  -0.465   1.4698   1.0661   0.6841
 FTB  C3    C  CR56  0   0.442   1.1659   0.7522  -0.5870
 FTB  N6    N  NR6   0  -0.606   1.8453  -0.1150  -1.3931
 FTB  C12   C  CH2   0  -0.310   3.0666  -0.7509  -0.9091
 FTB  C13   C  CH2   0  -0.425   4.3058   0.0933  -1.1655
 FTB  C14   C  CH2   0  -0.428   5.5541  -0.5356  -0.5603
 FTB  C15   C  CH3   0  -0.661   6.8047   0.2936  -0.8152
 FTB  C4    C  CR56  0   0.115   0.0604   1.4303  -1.0230
 FTB  N5    N  NR15  0  -0.661  -0.3224   2.1939   0.0516
 FTB  C9    C  CR6   0   0.567  -0.4514   1.3014  -2.3398
 FTB  O10   O  OC    0  -0.458  -1.4059   1.8911  -2.8125
 FTB  N8    N  NR6   0  -0.618   0.2849   0.3784  -3.0938
 FTB  C7    C  CR6   0   0.757   1.4415  -0.2940  -2.6918
 FTB  O11   O  OC    0  -0.490   2.0642  -1.0064  -3.4548
 FTB  C16   C  CH2   0  -0.389  -0.2124   0.1292  -4.4454
 FTB  C17   C  CR6   0  -0.070  -1.5456  -0.5683  -4.4617
 FTB  C18   C  CR16  0  -0.284  -2.6348  -0.0166  -5.1281
 FTB  C19   C  CR16  0  -0.258  -3.8573  -0.6703  -5.1817
 FTB  C20   C  CR16  0  -0.253  -4.0134  -1.8953  -4.5472
 FTB  C21   C  CR16  0  -0.397  -2.9453  -2.4681  -3.8709
 FTB  C22   C  CR6   0   0.529  -1.7384  -1.7970  -3.8492
 FTB  F     F  F     0  -0.312  -0.7042  -2.3649  -3.2031
 FTB  H341  H  HCH3  0   0.268  -2.3390  -3.8691   7.8357
 FTB  H342  H  HCH3  0   0.277  -2.8361  -2.2977   8.4640
 FTB  H343  H  HCH3  0   0.261  -3.6263  -2.9522   7.0351
 FTB  H31   H  HNH1  0   0.416  -3.0830  -0.9952   6.0366
 FTB  H29   H  HCR6  0   0.280   0.5530  -1.1939   5.1891
 FTB  H30   H  HCR6  0   0.253   1.5676   0.4149   3.6765
 FTB  H27   H  HCR6  0   0.270  -3.2063   0.8413   4.7877
 FTB  H26   H  HCR6  0   0.255  -2.1703   2.4485   3.2712
 FTB  H241  H  HCH2  0   0.296   1.4262   2.7956   2.7511
 FTB  H242  H  HCH2  0   0.291  -0.1534   3.4564   2.3591
 FTB  H121  H  HCH2  0   0.266   3.1559  -1.7286  -1.3786
 FTB  H122  H  HCH2  0   0.261   2.9348  -0.9165   0.1596
 FTB  H131  H  HCH2  0   0.228   4.1574   1.0915  -0.7427
 FTB  H132  H  HCH2  0   0.229   4.4421   0.2239  -2.2425
 FTB  H141  H  HCH2  0   0.220   5.6926  -1.5421  -0.9665
 FTB  H142  H  HCH2  0   0.219   5.4113  -0.6588   0.5175
 FTB  H151  H  HCH3  0   0.229   7.6833  -0.1602  -0.3563
 FTB  H152  H  HCH3  0   0.219   7.0029   0.3913  -1.8839
 FTB  H153  H  HCH3  0   0.218   6.7000   1.3001  -0.4061
 FTB  HN5   H  HNR5  0   0.430  -1.1073   2.8263   0.0875
 FTB  H161  H  HCH2  0   0.286  -0.2951   1.0773  -4.9755
 FTB  H162  H  HCH2  0   0.299   0.5345  -0.4613  -4.9681
 FTB  H18   H  HCR6  0   0.262  -2.5156   0.9448  -5.6119
 FTB  H19   H  HCR6  0   0.261  -4.6872  -0.2205  -5.7096
 FTB  H20   H  HCR6  0   0.268  -4.9649  -2.4093  -4.5738
 FTB  H21   H  HCR6  0   0.278  -3.0444  -3.4235  -3.3721

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
 FTB  O33  C32   double    1.218  0.020  1.218
 FTB  C32  C34   single    1.508  0.020  1.508
 FTB  C32  N31   single    1.360  0.020  1.360
 FTB  C34  H341  single    0.970  0.020  1.090
 FTB  C34  H342  single    0.970  0.020  1.090
 FTB  C34  H343  single    0.970  0.020  1.090
 FTB  N31  C28   single    1.397  0.020  1.397
 FTB  N31  H31   single    0.860  0.020  1.020
 FTB  C28  C29   aromatic  1.397  0.020  1.397
 FTB  C28  C27   aromatic  1.397  0.020  1.397
 FTB  C29  C30   aromatic  1.387  0.020  1.387
 FTB  C29  H29   single    0.930  0.020  1.080
 FTB  C30  C25   aromatic  1.390  0.020  1.390
 FTB  C30  H30   single    0.930  0.020  1.080
 FTB  C27  C26   aromatic  1.384  0.020  1.384
 FTB  C27  H27   single    0.930  0.020  1.080
 FTB  C26  C25   aromatic  1.390  0.020  1.390
 FTB  C26  H26   single    0.930  0.020  1.080
 FTB  C25  C24   single    1.510  0.020  1.510
 FTB  C24  C1    single    1.489  0.020  1.489
 FTB  C24  H241  single    0.970  0.020  1.090
 FTB  C24  H242  single    0.970  0.020  1.090
 FTB  C1   N2    aromatic  1.325  0.020  1.325
 FTB  C1   N5    aromatic  1.340  0.020  1.340
 FTB  N2   C3    aromatic  1.344  0.020  1.344
 FTB  C3   N6    aromatic  1.365  0.020  1.365
 FTB  C3   C4    aromatic  1.368  0.020  1.368
 FTB  N6   C12   single    1.459  0.020  1.459
 FTB  N6   C7    aromatic  1.372  0.020  1.372
 FTB  C12  C13   single    1.521  0.020  1.521
 FTB  C12  H121  single    0.970  0.020  1.090
 FTB  C12  H122  single    0.970  0.020  1.090
 FTB  C13  C14   single    1.523  0.020  1.523
 FTB  C13  H131  single    0.970  0.020  1.090
 FTB  C13  H132  single    0.970  0.020  1.090
 FTB  C14  C15   single    1.522  0.020  1.522
 FTB  C14  H141  single    0.970  0.020  1.090
 FTB  C14  H142  single    0.970  0.020  1.090
 FTB  C15  H151  single    0.970  0.020  1.090
 FTB  C15  H152  single    0.970  0.020  1.090
 FTB  C15  H153  single    0.970  0.020  1.090
 FTB  C4   N5    aromatic  1.373  0.020  1.373
 FTB  C4   C9    aromatic  1.419  0.020  1.419
 FTB  N5   HN5   single    0.860  0.020  1.020
 FTB  C9   O10   double    1.217  0.020  1.217
 FTB  C9   N8    aromatic  1.401  0.020  1.401
 FTB  N8   C7    aromatic  1.397  0.020  1.397
 FTB  N8   C16   single    1.462  0.020  1.462
 FTB  C7   O11   double    1.216  0.020  1.216
 FTB  C16  C17   single    1.505  0.020  1.505
 FTB  C16  H161  single    0.970  0.020  1.090
 FTB  C16  H162  single    0.970  0.020  1.090
 FTB  C17  C18   aromatic  1.391  0.020  1.391
 FTB  C17  C22   aromatic  1.386  0.020  1.386
 FTB  C18  C19   aromatic  1.387  0.020  1.387
 FTB  C18  H18   single    0.930  0.020  1.080
 FTB  C19  C20   aromatic  1.388  0.020  1.388
 FTB  C19  H19   single    0.930  0.020  1.080
 FTB  C20  C21   aromatic  1.388  0.020  1.388
 FTB  C20  H20   single    0.930  0.020  1.080
 FTB  C21  C22   aromatic  1.381  0.020  1.381
 FTB  C21  H21   single    0.930  0.020  1.080
 FTB  C22  F     single    1.345  0.020  1.345

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
 FTB  N31   C32  C34   113.60  3.000
 FTB  N31   C32  O33   123.85  3.000
 FTB  C34   C32  O33   122.54  3.000
 FTB  H343  C34  H342  107.53  3.000
 FTB  H343  C34  H341  109.02  3.000
 FTB  H342  C34  H341  108.12  3.000
 FTB  H343  C34  C32   112.48  3.000
 FTB  H342  C34  C32   109.59  3.000
 FTB  H341  C34  C32   109.98  3.000
 FTB  H31   N31  C28   114.55  3.000
 FTB  H31   N31  C32   115.78  3.000
 FTB  C28   N31  C32   129.61  3.000
 FTB  C27   C28  C29   118.59  3.000
 FTB  C27   C28  N31   116.80  3.000
 FTB  C29   C28  N31   124.61  3.000
 FTB  H29   C29  C30   119.21  3.000
 FTB  H29   C29  C28   121.06  3.000
 FTB  C30   C29  C28   119.73  3.000
 FTB  H30   C30  C25   119.55  3.000
 FTB  H30   C30  C29   118.53  3.000
 FTB  C25   C30  C29   121.92  3.000
 FTB  H27   C27  C26   119.35  3.000
 FTB  H27   C27  C28   119.77  3.000
 FTB  C26   C27  C28   120.88  3.000
 FTB  H26   C26  C25   120.08  3.000
 FTB  H26   C26  C27   119.01  3.000
 FTB  C25   C26  C27   120.90  3.000
 FTB  C24   C25  C26   121.16  3.000
 FTB  C24   C25  C30   120.85  3.000
 FTB  C26   C25  C30   117.97  3.000
 FTB  H242  C24  H241  107.23  3.000
 FTB  H242  C24  C1    109.81  3.000
 FTB  H241  C24  C1    108.26  3.000
 FTB  H242  C24  C25   110.35  3.000
 FTB  H241  C24  C25   110.20  3.000
 FTB  C1    C24  C25   110.90  3.000
 FTB  N5    C1   N2    112.06  3.000
 FTB  N5    C1   C24   123.47  3.000
 FTB  N2    C1   C24   124.41  3.000
 FTB  C3    N2   C1    104.63  3.000
 FTB  C4    C3   N6    121.93  3.000
 FTB  C4    C3   N2    111.61  3.000
 FTB  N6    C3   N2    126.46  3.000
 FTB  C7    N6   C12   120.22  3.000
 FTB  C7    N6   C3    119.70  3.000
 FTB  C12   N6   C3    119.83  3.000
 FTB  H122  C12  H121  107.24  3.000
 FTB  H122  C12  C13   110.38  3.000
 FTB  H121  C12  C13   111.04  3.000
 FTB  H122  C12  N6    106.88  3.000
 FTB  H121  C12  N6    108.49  3.000
 FTB  C13   C12  N6    112.58  3.000
 FTB  H132  C13  H131  106.78  3.000
 FTB  H132  C13  C14   109.79  3.000
 FTB  H131  C13  C14   109.53  3.000
 FTB  H132  C13  C12   109.50  3.000
 FTB  H131  C13  C12   109.31  3.000
 FTB  C14   C13  C12   111.81  3.000
 FTB  H142  C14  H141  106.18  3.000
 FTB  H142  C14  C15   109.48  3.000
 FTB  H141  C14  C15   109.57  3.000
 FTB  H142  C14  C13   109.32  3.000
 FTB  H141  C14  C13   109.64  3.000
 FTB  C15   C14  C13   112.45  3.000
 FTB  H153  C15  H152  107.57  3.000
 FTB  H153  C15  H151  107.66  3.000
 FTB  H152  C15  H151  107.64  3.000
 FTB  H153  C15  C14   111.15  3.000
 FTB  H152  C15  C14   111.23  3.000
 FTB  H151  C15  C14   111.41  3.000
 FTB  C9    C4   N5    132.57  3.000
 FTB  C9    C4   C3    122.84  3.000
 FTB  N5    C4   C3    104.57  3.000
 FTB  HN5   N5   C4    126.42  3.000
 FTB  HN5   N5   C1    126.44  3.000
 FTB  C4    N5   C1    107.14  3.000
 FTB  N8    C9   O10   121.48  3.000
 FTB  N8    C9   C4    111.70  3.000
 FTB  O10   C9   C4    126.82  3.000
 FTB  C16   N8   C7    117.76  3.000
 FTB  C16   N8   C9    115.54  3.000
 FTB  C7    N8   C9    126.69  3.000
 FTB  O11   C7   N8    121.71  3.000
 FTB  O11   C7   N6    121.34  3.000
 FTB  N8    C7   N6    116.96  3.000
 FTB  H162  C16  H161  106.93  3.000
 FTB  H162  C16  C17   110.61  3.000
 FTB  H161  C16  C17   109.33  3.000
 FTB  H162  C16  N8    107.68  3.000
 FTB  H161  C16  N8    109.11  3.000
 FTB  C17   C16  N8    112.98  3.000
 FTB  C22   C17  C18   117.01  3.000
 FTB  C22   C17  C16   121.96  3.000
 FTB  C18   C17  C16   121.01  3.000
 FTB  H18   C18  C19   119.87  3.000
 FTB  H18   C18  C17   118.69  3.000
 FTB  C19   C18  C17   121.44  3.000
 FTB  H19   C19  C20   120.25  3.000
 FTB  H19   C19  C18   119.93  3.000
 FTB  C20   C19  C18   119.81  3.000
 FTB  H20   C20  C21   119.52  3.000
 FTB  H20   C20  C19   120.45  3.000
 FTB  C21   C20  C19   120.02  3.000
 FTB  H21   C21  C22   120.11  3.000
 FTB  H21   C21  C20   121.23  3.000
 FTB  C22   C21  C20   118.66  3.000
 FTB  F     C22  C21   118.31  3.000
 FTB  F     C22  C17   118.65  3.000
 FTB  C21   C22  C17   123.04  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
 FTB  CONST_01  C25   C30  C29  C28    0.00   0.0  0
 FTB  CONST_02  C25   C26  C27  C28    0.00   0.0  0
 FTB  CONST_03  C26   C27  C28  C29    0.00   0.0  0
 FTB  CONST_04  C26   C25  C30  C29    0.00   0.0  0
 FTB  CONST_05  C27   C28  C29  C30    0.00   0.0  0
 FTB  CONST_06  C27   C26  C25  C30    0.00   0.0  0
 FTB  CONST_07  N6    C3   N2   C1   180.00   0.0  0
 FTB  CONST_08  C4    C3   N2   C1     0.00   0.0  0
 FTB  CONST_09  C3    C4   N5   C1     0.00   0.0  0
 FTB  CONST_10  C9    C4   N5   C1   180.00   0.0  0
 FTB  CONST_11  C4    N5   C1   N2     0.00   0.0  0
 FTB  CONST_12  C7    N6   C3   N2   180.00   0.0  0
 FTB  CONST_13  N5    C4   C3   N2     0.00   0.0  0
 FTB  CONST_14  C9    C4   C3   N2   180.00   0.0  0
 FTB  CONST_15  N5    C1   N2   C3     0.00   0.0  0
 FTB  CONST_16  N8    C7   N6   C3     0.00   0.0  0
 FTB  CONST_17  N8    C9   C4   C3     0.00   0.0  0
 FTB  CONST_18  N5    C4   C3   N6   180.00   0.0  0
 FTB  CONST_19  C9    C4   C3   N6     0.00   0.0  0
 FTB  CONST_20  C9    N8   C7   N6     0.00   0.0  0
 FTB  CONST_21  C7    N6   C3   C4     0.00   0.0  0
 FTB  CONST_22  C7    N8   C9   C4     0.00   0.0  0
 FTB  CONST_23  N8    C9   C4   N5   180.00   0.0  0
 FTB  CONST_24  C20   C19  C18  C17    0.00   0.0  0
 FTB  CONST_25  C20   C21  C22  C17    0.00   0.0  0
 FTB  CONST_26  C21   C22  C17  C18    0.00   0.0  0
 FTB  CONST_27  C21   C20  C19  C18    0.00   0.0  0
 FTB  CONST_28  C22   C17  C18  C19    0.00   0.0  0
 FTB  CONST_29  C22   C21  C20  C19    0.00   0.0  0
 FTB  CONST_30  C30   C29  C28  N31  180.00   0.0  0
 FTB  CONST_31  C26   C27  C28  N31  180.00   0.0  0
 FTB  CONST_32  C24   C25  C30  C29  180.00   0.0  0
 FTB  CONST_33  C24   C25  C26  C27  180.00   0.0  0
 FTB  CONST_34  C3    N2   C1   C24  180.00   0.0  0
 FTB  CONST_35  C4    N5   C1   C24  180.00   0.0  0
 FTB  CONST_36  C12   N6   C3   N2     0.00   0.0  0
 FTB  CONST_37  O11   C7   N6   C3   180.00   0.0  0
 FTB  CONST_38  O10   C9   C4   C3   180.00   0.0  0
 FTB  CONST_39  C16   N8   C7   N6   180.00   0.0  0
 FTB  CONST_40  C4    C3   N6   C12  180.00   0.0  0
 FTB  CONST_41  N8    C7   N6   C12  180.00   0.0  0
 FTB  CONST_42  C16   N8   C9   C4   180.00   0.0  0
 FTB  CONST_43  O10   C9   C4   N5     0.00   0.0  0
 FTB  CONST_44  O11   C7   N8   C9   180.00   0.0  0
 FTB  CONST_45  C7    N8   C9   O10  180.00   0.0  0
 FTB  CONST_46  C19   C18  C17  C16  180.00   0.0  0
 FTB  CONST_47  C21   C22  C17  C16  180.00   0.0  0
 FTB  CONST_48  F     C22  C17  C18  180.00   0.0  0
 FTB  CONST_49  F     C22  C21  C20  180.00   0.0  0
 FTB  CONST_50  H30   C30  C29  C28  180.00   0.0  0
 FTB  CONST_51  H26   C26  C27  C28  180.00   0.0  0
 FTB  CONST_52  H27   C27  C28  C29  180.00   0.0  0
 FTB  CONST_53  H29   C29  C28  C27  180.00   0.0  0
 FTB  CONST_54  HN5   N5   C1   N2   180.00   0.0  0
 FTB  CONST_55  H19   C19  C18  C17  180.00   0.0  0
 FTB  CONST_56  H21   C21  C22  C17  180.00   0.0  0
 FTB  CONST_57  H20   C20  C19  C18  180.00   0.0  0
 FTB  CONST_58  H18   C18  C19  C20  180.00   0.0  0
 FTB  CONST_59  O11   C7   N6   C12    0.00   0.0  0
 FTB  CONST_60  C16   N8   C9   O10    0.00   0.0  0
 FTB  CONST_61  C16   N8   C7   O11    0.00   0.0  0
 FTB  CONST_62  C29   C28  N31  C32    0.00   0.0  0
 FTB  CONST_63  C27   C28  N31  C32  180.00   0.0  0
 FTB  CONST_64  H31   N31  C28  C29  180.00   0.0  0
 FTB  CONST_65  C28   N31  C32  O33    0.00   0.0  0
 FTB  CONST_66  C28   N31  C32  C34  180.00   0.0  0
 FTB  Var_01    C1    C24  C25  C30   78.88  30.0  2
 FTB  Var_02    N2    C1   C24  C25  -78.10  30.0  2
 FTB  Var_03    C17   C16  N8   C9   -67.13  30.0  2
 FTB  Var_04    C18   C17  C16  N8   123.95  30.0  2
 FTB  Var_05    C13   C12  N6   C3   -87.24  30.0  2
 FTB  Var_06    C14   C13  C12  N6   175.64  30.0  3
 FTB  Var_07    C15   C14  C13  C12  179.67  30.0  3
 FTB  Var_08    H341  C34  C32  O33  -22.26  30.0  3
 FTB  Var_09    H151  C15  C14  C13  178.73  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
 FTB  plan-1  N31  0.020
 FTB  plan-1  C28  0.020
 FTB  plan-1  C29  0.020
 FTB  plan-1  C30  0.020
 FTB  plan-1  C27  0.020
 FTB  plan-1  C26  0.020
 FTB  plan-1  C25  0.020
 FTB  plan-1  C24  0.020
 FTB  plan-1  H29  0.020
 FTB  plan-1  H30  0.020
 FTB  plan-1  H27  0.020
 FTB  plan-1  H26  0.020
 FTB  plan-2  C16  0.020
 FTB  plan-2  C17  0.020
 FTB  plan-2  C18  0.020
 FTB  plan-2  C19  0.020
 FTB  plan-2  C20  0.020
 FTB  plan-2  C21  0.020
 FTB  plan-2  C22  0.020
 FTB  plan-2  F    0.020
 FTB  plan-2  H18  0.020
 FTB  plan-2  H19  0.020
 FTB  plan-2  H20  0.020
 FTB  plan-2  H21  0.020
 FTB  plan-3  C24  0.020
 FTB  plan-3  C1   0.020
 FTB  plan-3  N2   0.020
 FTB  plan-3  C3   0.020
 FTB  plan-3  N6   0.020
 FTB  plan-3  C12  0.020
 FTB  plan-3  C4   0.020
 FTB  plan-3  N5   0.020
 FTB  plan-3  C9   0.020
 FTB  plan-3  O10  0.020
 FTB  plan-3  N8   0.020
 FTB  plan-3  C7   0.020
 FTB  plan-3  O11  0.020
 FTB  plan-3  C16  0.020
 FTB  plan-3  HN5  0.020
 FTB  plan-4  O33  0.020
 FTB  plan-4  C32  0.020
 FTB  plan-4  C34  0.020
 FTB  plan-4  N31  0.020
 FTB  plan-4  C28  0.020
 FTB  plan-4  H31  0.020

