# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Jul 24 06:50:01 2021
#   Inital geometry file: a 152 line input string
#   Ligand name: (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCn1c(nc2c1ncnc2c3ccc4NC(=O)[C@@](C)(Cc5ccccc5)c4c3)c6cnc(C)nc6
#
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
 VBS  VBS  (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one  ligand  61  36  .  2022-03-29  2022-03-29
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_VBS
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
 VBS  C1   C  CR56  0   0.079  36.7744  14.1584  33.1779
 VBS  C2   C  CR56  0   0.497  35.9191  15.1508  32.6826
 VBS  C4   C  CR16  0   0.031  37.2218  16.7631  33.3997
 VBS  C6   C  CR6   0   0.214  37.9328  14.6036  33.8289
 VBS  C7   C  CR6   0   0.039  38.9690  13.7413  34.4072
 VBS  C8   C  CR16  0  -0.363  40.0920  14.3307  35.0128
 VBS  C11  C  CR16  0  -0.287  39.8672  11.5320  34.9017
 VBS  C12  C  CR16  0  -0.347  38.8789  12.3461  34.3632
 VBS  N13  N  NR15  0  -0.736  42.0634  11.5729  36.0894
 VBS  C16  C  CR5   0  -0.321  42.3763  13.8902  36.1985
 VBS  C17  C  CH2   0  -0.473  43.3483  14.5892  35.2197
 VBS  C18  C  CR6   0   0.119  43.6336  13.8044  33.9689
 VBS  C19  C  CR16  0  -0.290  42.8072  13.9110  32.8515
 VBS  C21  C  CR16  0  -0.271  44.1375  12.2973  31.6607
 VBS  C23  C  CR16  0  -0.306  44.7234  12.9379  33.9053
 VBS  C24  C  CH3   0  -0.633  42.1960  14.7442  37.4526
 VBS  C31  C  CR6   0   0.365  32.8353  10.0152  30.8615
 VBS  C33  C  CR16  0  -0.013  34.8760  10.9267  31.2436
 VBS  C34  C  CH3   0  -0.730  32.0145   8.8664  30.3789
 VBS  C36  C  CH3   0  -0.670  32.7662  15.7695  32.2857
 VBS  N3   N  N     0  -0.430  36.1011  16.4557  32.7645
 VBS  N5   N  N     0  -0.453  38.1101  15.9252  33.9176
 VBS  C9   C  CR56  0   0.138  41.0753  13.5338  35.5384
 VBS  C10  C  CR56  0   0.397  40.9598  12.1457  35.4848
 VBS  C14  C  CR5   0   0.586  42.9305  12.5100  36.5675
 VBS  O15  O  O     0  -0.445  43.9543  12.2837  37.1752
 VBS  C20  C  CR16  0  -0.241  43.0543  13.1652  31.7077
 VBS  C22  C  CR16  0  -0.243  44.9744  12.1891  32.7631
 VBS  N25  N  NR5   0  -0.541  34.8828  14.4982  32.0880
 VBS  C26  C  CR5   0   0.499  35.1408  13.1623  32.2495
 VBS  N27  N  N     0  -0.479  36.2568  12.9275  32.8897
 VBS  C28  C  CR6   0  -0.143  34.2947  12.0864  31.7480
 VBS  C29  C  CR16  0  -0.026  32.9044  12.0886  31.7810
 VBS  N30  N  N     0  -0.402  32.1845  11.0726  31.3408
 VBS  N32  N  N     0  -0.404  34.1607   9.9063  30.8055
 VBS  H1   H  HCR6  0   0.258  37.4410  17.8191  33.5093
 VBS  H2   H  HCR6  0   0.257  40.1771  15.4090  35.0497
 VBS  H3   H  HCR6  0   0.270  39.7757  10.4550  34.8592
 VBS  H4   H  HCR6  0   0.277  38.0216  11.8783  33.9010
 VBS  H5   H  HNR5  0   0.413  42.2070  10.5794  36.1949
 VBS  H6   H  HCH2  0   0.262  44.2778  14.7965  35.7554
 VBS  H7   H  HCH2  0   0.263  42.9126  15.5587  34.9648
 VBS  H8   H  HCR6  0   0.247  41.9653  14.5917  32.8694
 VBS  H9   H  HCR6  0   0.253  44.3328  11.7159  30.7687
 VBS  H10  H  HCR6  0   0.247  45.3891  12.8516  34.7553
 VBS  H11  H  HCH3  0   0.247  41.5357  14.2629  38.1740
 VBS  H12  H  HCH3  0   0.244  43.1571  14.9280  37.9336
 VBS  H13  H  HCH3  0   0.247  41.7612  15.7086  37.1882
 VBS  H14  H  HCR6  0   0.281  35.9551  10.8335  31.1904
 VBS  H15  H  HCH3  0   0.255  32.6192   8.1600  29.8166
 VBS  H16  H  HCH3  0   0.266  31.5757   8.3397  31.2286
 VBS  H17  H  HCH3  0   0.260  31.1901   9.2130  29.7571
 VBS  H18  H  HCH2  0   0.282  34.2710  15.9451  30.7565
 VBS  H19  H  HCH2  0   0.276  33.3682  14.4528  30.6722
 VBS  H20  H  HCH3  0   0.250  32.0143  16.2844  31.6891
 VBS  H21  H  HCH3  0   0.239  32.2591  15.0118  32.8829
 VBS  H22  H  HCH3  0   0.247  33.2133  16.4947  32.9642
 VBS  H23  H  HCR6  0   0.252  42.4019  13.2664  30.8498
 VBS  H24  H  HCR6  0   0.253  45.8284  11.5244  32.7345
 VBS  H25  H  HCR6  0   0.283  32.3524  12.9234  32.1991
 VBS  C35  C  CH2   0  -0.345  33.8109  15.1668  31.3645

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
 VBS  C34  C31  single    1.492  0.020  1.492
 VBS  N32  C31  aromatic  1.331  0.020  1.331
 VBS  N32  C33  aromatic  1.321  0.020  1.321
 VBS  C31  N30  aromatic  1.331  0.020  1.331
 VBS  C33  C28  aromatic  1.392  0.020  1.392
 VBS  N30  C29  aromatic  1.321  0.020  1.321
 VBS  C20  C21  aromatic  1.389  0.020  1.389
 VBS  C20  C19  aromatic  1.388  0.020  1.388
 VBS  C35  N25  single    1.456  0.020  1.456
 VBS  C35  C36  single    1.518  0.020  1.518
 VBS  C21  C22  aromatic  1.388  0.020  1.388
 VBS  C28  C29  aromatic  1.391  0.020  1.391
 VBS  C28  C26  single    1.458  0.020  1.458
 VBS  N25  C26  aromatic  1.370  0.020  1.370
 VBS  N25  C2   aromatic  1.361  0.020  1.361
 VBS  C26  N27  aromatic  1.308  0.020  1.308
 VBS  C19  C18  aromatic  1.394  0.020  1.394
 VBS  C22  C23  aromatic  1.389  0.020  1.389
 VBS  C2   N3   aromatic  1.320  0.020  1.320
 VBS  C2   C1   aromatic  1.401  0.020  1.401
 VBS  N27  C1   aromatic  1.366  0.020  1.366
 VBS  N3   C4   aromatic  1.324  0.020  1.324
 VBS  C1   C6   aromatic  1.401  0.020  1.401
 VBS  C18  C23  aromatic  1.394  0.020  1.394
 VBS  C18  C17  single    1.504  0.020  1.504
 VBS  C4   N5   aromatic  1.326  0.020  1.326
 VBS  C6   N5   aromatic  1.336  0.020  1.336
 VBS  C6   C7   single    1.467  0.020  1.467
 VBS  C7   C12  aromatic  1.399  0.020  1.399
 VBS  C7   C8   aromatic  1.405  0.020  1.405
 VBS  C17  C16  single    1.546  0.020  1.546
 VBS  C12  C11  aromatic  1.389  0.020  1.389
 VBS  C8   C9   aromatic  1.371  0.020  1.371
 VBS  C11  C10  aromatic  1.382  0.020  1.382
 VBS  C9   C10  aromatic  1.394  0.020  1.394
 VBS  C9   C16  single    1.502  0.020  1.502
 VBS  C10  N13  single    1.383  0.020  1.383
 VBS  C16  C14  single    1.533  0.020  1.533
 VBS  C16  C24  single    1.528  0.020  1.528
 VBS  N13  C14  single    1.363  0.020  1.363
 VBS  C14  O15  double    1.212  0.020  1.212
 VBS  C4   H1   single    0.930  0.020  1.080
 VBS  C8   H2   single    0.930  0.020  1.080
 VBS  C11  H3   single    0.930  0.020  1.080
 VBS  C12  H4   single    0.930  0.020  1.080
 VBS  N13  H5   single    0.860  0.020  1.020
 VBS  C17  H6   single    0.970  0.020  1.090
 VBS  C17  H7   single    0.970  0.020  1.090
 VBS  C19  H8   single    0.930  0.020  1.080
 VBS  C21  H9   single    0.930  0.020  1.080
 VBS  C23  H10  single    0.930  0.020  1.080
 VBS  C24  H11  single    0.970  0.020  1.090
 VBS  C24  H12  single    0.970  0.020  1.090
 VBS  C24  H13  single    0.970  0.020  1.090
 VBS  C33  H14  single    0.930  0.020  1.080
 VBS  C34  H15  single    0.970  0.020  1.090
 VBS  C34  H16  single    0.970  0.020  1.090
 VBS  C34  H17  single    0.970  0.020  1.090
 VBS  C35  H18  single    0.970  0.020  1.090
 VBS  C35  H19  single    0.970  0.020  1.090
 VBS  C36  H20  single    0.970  0.020  1.090
 VBS  C36  H21  single    0.970  0.020  1.090
 VBS  C36  H22  single    0.970  0.020  1.090
 VBS  C20  H23  single    0.930  0.020  1.080
 VBS  C22  H24  single    0.930  0.020  1.080
 VBS  C29  H25  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
 VBS  N27  C1   C6   134.23  3.000
 VBS  C6   C1   C2   116.36  3.000
 VBS  N27  C1   C2   109.42  3.000
 VBS  N25  C2   N3   127.29  3.000
 VBS  N3   C2   C1   126.46  3.000
 VBS  N25  C2   C1   106.24  3.000
 VBS  H1   C4   N5   116.14  3.000
 VBS  H1   C4   N3   116.46  3.000
 VBS  N5   C4   N3   127.40  3.000
 VBS  N5   C6   C7   117.48  3.000
 VBS  C7   C6   C1   125.47  3.000
 VBS  N5   C6   C1   117.05  3.000
 VBS  C12  C7   C8   118.90  3.000
 VBS  C8   C7   C6   119.19  3.000
 VBS  C12  C7   C6   121.90  3.000
 VBS  H2   C8   C9   120.65  3.000
 VBS  H2   C8   C7   119.70  3.000
 VBS  C9   C8   C7   119.65  3.000
 VBS  H3   C11  C10  121.70  3.000
 VBS  H3   C11  C12  120.54  3.000
 VBS  C10  C11  C12  117.76  3.000
 VBS  H4   C12  C11  118.47  3.000
 VBS  H4   C12  C7   119.76  3.000
 VBS  C11  C12  C7   121.77  3.000
 VBS  H5   N13  C14  123.33  3.000
 VBS  H5   N13  C10  124.55  3.000
 VBS  C14  N13  C10  112.10  3.000
 VBS  C14  C16  C9   101.85  3.000
 VBS  C14  C16  C24  110.39  3.000
 VBS  C9   C16  C24  113.03  3.000
 VBS  C24  C16  C17  109.94  3.000
 VBS  C14  C16  C17  109.40  3.000
 VBS  C9   C16  C17  111.94  3.000
 VBS  H7   C17  H6   106.57  3.000
 VBS  H7   C17  C18  110.15  3.000
 VBS  H6   C17  C18  110.20  3.000
 VBS  H7   C17  C16  107.33  3.000
 VBS  H6   C17  C16  108.07  3.000
 VBS  C18  C17  C16  114.19  3.000
 VBS  C23  C18  C19  118.33  3.000
 VBS  C23  C18  C17  120.71  3.000
 VBS  C19  C18  C17  120.95  3.000
 VBS  H8   C19  C20  119.34  3.000
 VBS  H8   C19  C18  119.72  3.000
 VBS  C20  C19  C18  120.94  3.000
 VBS  H9   C21  C22  120.25  3.000
 VBS  H9   C21  C20  120.28  3.000
 VBS  C22  C21  C20  119.47  3.000
 VBS  H10  C23  C22  119.44  3.000
 VBS  H10  C23  C18  119.62  3.000
 VBS  C22  C23  C18  120.94  3.000
 VBS  H13  C24  H12  108.02  3.000
 VBS  H13  C24  H11  108.02  3.000
 VBS  H12  C24  H11  108.45  3.000
 VBS  H13  C24  C16  110.02  3.000
 VBS  H12  C24  C16  110.63  3.000
 VBS  H11  C24  C16  111.59  3.000
 VBS  N32  C31  N30  124.55  3.000
 VBS  N30  C31  C34  117.33  3.000
 VBS  N32  C31  C34  118.11  3.000
 VBS  H14  C33  N32  117.14  3.000
 VBS  H14  C33  C28  120.33  3.000
 VBS  N32  C33  C28  122.52  3.000
 VBS  H17  C34  H16  107.07  3.000
 VBS  H17  C34  H15  109.43  3.000
 VBS  H16  C34  H15  108.22  3.000
 VBS  H17  C34  C31  110.86  3.000
 VBS  H16  C34  C31  109.93  3.000
 VBS  H15  C34  C31  111.21  3.000
 VBS  H22  C36  H21  108.22  3.000
 VBS  H22  C36  H20  108.05  3.000
 VBS  H21  C36  H20  107.91  3.000
 VBS  H22  C36  C35  111.10  3.000
 VBS  H21  C36  C35  112.13  3.000
 VBS  H20  C36  C35  109.30  3.000
 VBS  C4   N3   C2   112.08  3.000
 VBS  C6   N5   C4   120.66  3.000
 VBS  C10  C9   C16  108.97  3.000
 VBS  C16  C9   C8   130.70  3.000
 VBS  C10  C9   C8   120.33  3.000
 VBS  C9   C10  N13  109.24  3.000
 VBS  N13  C10  C11  129.16  3.000
 VBS  C9   C10  C11  121.59  3.000
 VBS  O15  C14  C16  126.47  3.000
 VBS  O15  C14  N13  125.79  3.000
 VBS  C16  C14  N13  107.73  3.000
 VBS  H23  C20  C21  120.11  3.000
 VBS  H23  C20  C19  119.72  3.000
 VBS  C21  C20  C19  120.17  3.000
 VBS  H24  C22  C23  119.70  3.000
 VBS  H24  C22  C21  120.15  3.000
 VBS  C23  C22  C21  120.14  3.000
 VBS  C26  N25  C35  130.17  3.000
 VBS  C26  N25  C2   105.82  3.000
 VBS  C35  N25  C2   123.87  3.000
 VBS  C28  C26  N27  122.09  3.000
 VBS  N27  C26  N25  113.17  3.000
 VBS  C28  C26  N25  124.73  3.000
 VBS  C26  N27  C1   105.36  3.000
 VBS  C29  C28  C26  124.82  3.000
 VBS  C26  C28  C33  119.81  3.000
 VBS  C29  C28  C33  115.31  3.000
 VBS  H25  C29  N30  116.31  3.000
 VBS  H25  C29  C28  121.27  3.000
 VBS  N30  C29  C28  122.40  3.000
 VBS  C29  N30  C31  117.69  3.000
 VBS  C33  N32  C31  117.52  3.000
 VBS  H19  C35  H18  106.58  3.000
 VBS  H19  C35  N25  108.32  3.000
 VBS  H18  C35  N25  107.13  3.000
 VBS  H19  C35  C36  111.50  3.000
 VBS  H18  C35  C36  110.23  3.000
 VBS  N25  C35  C36  112.80  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
 VBS  CONST_01  C26  N25  C2   C1     0.00   0.0  0
 VBS  CONST_02  C4   N3   C2   C1     0.00   0.0  0
 VBS  CONST_03  C28  C26  N27  C1   180.00   0.0  0
 VBS  CONST_04  N25  C26  N27  C1     0.00   0.0  0
 VBS  CONST_05  C4   N5   C6   C1     0.00   0.0  0
 VBS  CONST_06  C12  C7   C6   C1     0.00   0.0  0
 VBS  CONST_07  C8   C7   C6   C1   180.00   0.0  0
 VBS  CONST_08  C28  C26  N25  C2   180.00   0.0  0
 VBS  CONST_09  N27  C26  N25  C2     0.00   0.0  0
 VBS  CONST_10  N5   C4   N3   C2     0.00   0.0  0
 VBS  CONST_11  C26  N27  C1   C2     0.00   0.0  0
 VBS  CONST_12  N5   C6   C1   C2     0.00   0.0  0
 VBS  CONST_13  C7   C6   C1   C2   180.00   0.0  0
 VBS  CONST_14  N25  C2   N3   C4   180.00   0.0  0
 VBS  CONST_15  C7   C6   N5   C4   180.00   0.0  0
 VBS  CONST_16  N25  C2   C1   C6   180.00   0.0  0
 VBS  CONST_17  N3   C2   C1   C6     0.00   0.0  0
 VBS  CONST_18  C26  N27  C1   C6   180.00   0.0  0
 VBS  CONST_19  N3   C4   N5   C6     0.00   0.0  0
 VBS  CONST_20  C11  C12  C7   C6   180.00   0.0  0
 VBS  CONST_21  C9   C8   C7   C6   180.00   0.0  0
 VBS  CONST_22  N27  C1   C6   C7     0.00   0.0  0
 VBS  CONST_23  C10  C11  C12  C7     0.00   0.0  0
 VBS  CONST_24  C10  C9   C8   C7     0.00   0.0  0
 VBS  CONST_25  N5   C6   C7   C8     0.00   0.0  0
 VBS  CONST_26  C11  C12  C7   C8     0.00   0.0  0
 VBS  CONST_27  C11  C10  C9   C8     0.00   0.0  0
 VBS  CONST_28  N5   C6   C7   C12  180.00   0.0  0
 VBS  CONST_29  C9   C8   C7   C12    0.00   0.0  0
 VBS  CONST_30  C9   C10  C11  C12    0.00   0.0  0
 VBS  CONST_31  C21  C20  C19  C18    0.00   0.0  0
 VBS  CONST_32  C21  C22  C23  C18    0.00   0.0  0
 VBS  CONST_33  C22  C21  C20  C19    0.00   0.0  0
 VBS  CONST_34  C22  C23  C18  C19    0.00   0.0  0
 VBS  CONST_35  C20  C21  C22  C23    0.00   0.0  0
 VBS  CONST_36  C20  C19  C18  C23    0.00   0.0  0
 VBS  CONST_37  C28  C33  N32  C31    0.00   0.0  0
 VBS  CONST_38  C28  C29  N30  C31    0.00   0.0  0
 VBS  CONST_39  N30  C31  N32  C33    0.00   0.0  0
 VBS  CONST_40  N30  C29  C28  C33    0.00   0.0  0
 VBS  CONST_43  C26  N25  C2   N3   180.00   0.0  0
 VBS  CONST_44  N27  C1   C2   N3   180.00   0.0  0
 VBS  CONST_45  N27  C1   C6   N5   180.00   0.0  0
 VBS  CONST_47  N27  C1   C2   N25    0.00   0.0  0
 VBS  CONST_48  N32  C33  C28  C26  180.00   0.0  0
 VBS  CONST_49  N30  C29  C28  C26  180.00   0.0  0
 VBS  CONST_51  N32  C31  N30  C29    0.00   0.0  0
 VBS  CONST_52  N32  C33  C28  C29    0.00   0.0  0
 VBS  CONST_53  C10  N13  C14  C16    0.00   0.0  0
 VBS  CONST_54  C35  N25  C2   C1   180.00   0.0  0
 VBS  CONST_55  C20  C19  C18  C17  180.00   0.0  0
 VBS  CONST_56  C22  C23  C18  C17  180.00   0.0  0
 VBS  CONST_57  C34  C31  N32  C33  180.00   0.0  0
 VBS  CONST_58  C29  N30  C31  C34  180.00   0.0  0
 VBS  CONST_59  C28  C26  N25  C35    0.00   0.0  0
 VBS  CONST_60  N27  C26  N25  C35  180.00   0.0  0
 VBS  CONST_61  N3   C2   N25  C35    0.00   0.0  0
 VBS  CONST_62  O15  C14  N13  C10  180.00   0.0  0
 VBS  CONST_63  H1   C4   N3   C2   180.00   0.0  0
 VBS  CONST_64  H4   C12  C7   C6     0.00   0.0  0
 VBS  CONST_65  H2   C8   C7   C6     0.00   0.0  0
 VBS  CONST_66  H3   C11  C12  C7   180.00   0.0  0
 VBS  CONST_67  H23  C20  C19  C18  180.00   0.0  0
 VBS  CONST_68  H24  C22  C23  C18  180.00   0.0  0
 VBS  CONST_69  H9   C21  C20  C19  180.00   0.0  0
 VBS  CONST_70  H10  C23  C18  C19  180.00   0.0  0
 VBS  CONST_71  H8   C19  C20  C21  180.00   0.0  0
 VBS  CONST_72  H14  C33  N32  C31  180.00   0.0  0
 VBS  CONST_73  H25  C29  N30  C31  180.00   0.0  0
 VBS  CONST_74  H5   N13  C14  C16  180.00   0.0  0
 VBS  Var_01    C19  C18  C17  C16   86.96  30.0  2
 VBS  Var_02    C36  C35  N25  C2   -78.89  30.0  2
 VBS  Var_03    H15  C34  C31  N30  167.59  30.0  2
 VBS  Var_04    H20  C36  C35  N25  177.94  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
 VBS  chir_01  C16  C9  C14  C24  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
 VBS  plan-1  C17  0.020
 VBS  plan-1  C18  0.020
 VBS  plan-1  C19  0.020
 VBS  plan-1  C21  0.020
 VBS  plan-1  C23  0.020
 VBS  plan-1  C20  0.020
 VBS  plan-1  C22  0.020
 VBS  plan-1  H8   0.020
 VBS  plan-1  H9   0.020
 VBS  plan-1  H10  0.020
 VBS  plan-1  H23  0.020
 VBS  plan-1  H24  0.020
 VBS  plan-2  C31  0.020
 VBS  plan-2  C33  0.020
 VBS  plan-2  C34  0.020
 VBS  plan-2  C26  0.020
 VBS  plan-2  C28  0.020
 VBS  plan-2  C29  0.020
 VBS  plan-2  N30  0.020
 VBS  plan-2  N32  0.020
 VBS  plan-2  H14  0.020
 VBS  plan-2  H25  0.020
 VBS  plan-3  C1   0.020
 VBS  plan-3  C2   0.020
 VBS  plan-3  C4   0.020
 VBS  plan-3  C6   0.020
 VBS  plan-3  C7   0.020
 VBS  plan-3  N3   0.020
 VBS  plan-3  N5   0.020
 VBS  plan-3  N25  0.020
 VBS  plan-3  C26  0.020
 VBS  plan-3  N27  0.020
 VBS  plan-3  C28  0.020
 VBS  plan-3  H1   0.020
 VBS  plan-3  C35  0.020
 VBS  plan-4  C6   0.020
 VBS  plan-4  C7   0.020
 VBS  plan-4  C8   0.020
 VBS  plan-4  C11  0.020
 VBS  plan-4  C12  0.020
 VBS  plan-4  N13  0.020
 VBS  plan-4  C16  0.020
 VBS  plan-4  C9   0.020
 VBS  plan-4  C10  0.020
 VBS  plan-4  C14  0.020
 VBS  plan-4  O15  0.020
 VBS  plan-4  H2   0.020
 VBS  plan-4  H3   0.020
 VBS  plan-4  H4   0.020
 VBS  plan-4  H5   0.020

