# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri May  8 00:53:09 2020
#   Inital geometry file: a 137 line input string
#   Ligand name: 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Nc1ncnc2n(cc(c3ccc(NC(=O)Nc4ccccc4)cc3)c12)C5CCCC5
#
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
 VSA  VSA  1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea  ligand  55  31  .  2021-08-24  2023-02-15
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_VSA
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
 VSA  CAP  C  CH2   0  -0.465    5.2623   2.8503   0.9866
 VSA  CAN  C  CH2   0  -0.446    5.0622   4.1715   0.2387
 VSA  CAO  C  CH2   0  -0.448    5.7561   3.9364  -1.1014
 VSA  CAQ  C  CH2   0  -0.457    5.3348   2.5141  -1.4527
 VSA  CBD  C  CH1   0  -0.099    5.3860   1.7615  -0.1103
 VSA  NBE  N  NR5   0  -0.519    4.3778   0.7220  -0.0105
 VSA  CAM  C  CR15  0  -0.056    3.0219   0.9177  -0.0670
 VSA  C4   C  CR56  0   0.509    4.6103  -0.6033   0.1569
 VSA  N3   N  N     0  -0.464    5.8124  -1.1743   0.2634
 VSA  C2   C  CR16  0   0.040    5.7461  -2.4760   0.4461
 VSA  N1   N  N     0  -0.476    4.6576  -3.2327   0.5605
 VSA  C6   C  CR6   0   0.393    3.4580  -2.6522   0.4683
 VSA  NAA  N  NH2   0  -0.824    2.3795  -3.4400   0.6175
 VSA  C5   C  CR56  0  -0.120    3.3766  -1.2675   0.2111
 VSA  CBA  C  CR5   0  -0.011    2.3553  -0.2713   0.0561
 VSA  CAY  C  CR6   0   0.013    0.8994  -0.4260  -0.0074
 VSA  CAK  C  CR16  0  -0.337    0.2997  -1.4152  -0.7901
 VSA  CAI  C  CR16  0  -0.332   -1.0753  -1.5273  -0.8721
 VSA  CAJ  C  CR16  0  -0.309    0.0543   0.4433   0.6805
 VSA  CAH  C  CR16  0  -0.296   -1.3269   0.3483   0.6029
 VSA  CAX  C  CR6   0   0.363   -1.9131  -0.6469  -0.1816
 VSA  NAU  N  NH1   0  -0.793   -3.2855  -0.8536  -0.3158
 VSA  CAV  C  C     0   0.747   -4.3068  -0.0088   0.0293
 VSA  OAB  O  O     0  -0.495   -4.1402   1.0676   0.5745
 VSA  NAT  N  NH1   0  -0.795   -5.5324  -0.5167  -0.3064
 VSA  CAW  C  CR6   0   0.376   -6.7948   0.0401  -0.0978
 VSA  CAF  C  CR16  0  -0.318   -7.0335   1.2863   0.4861
 VSA  CAD  C  CR16  0  -0.245   -8.3398   1.7333   0.6411
 VSA  CAC  C  CR16  0  -0.277   -9.4211   0.9707   0.2272
 VSA  CAE  C  CR16  0  -0.244   -9.1819  -0.2680  -0.3545
 VSA  CAG  C  CR16  0  -0.353   -7.8870  -0.7282  -0.5160
 VSA  H1   H  HCH2  0   0.248    6.1855   2.8792   1.5672
 VSA  H2   H  HCH2  0   0.249    4.4574   2.6349   1.6904
 VSA  H3   H  HCH2  0   0.224    3.9972   4.3560   0.0714
 VSA  H4   H  HCH2  0   0.238    5.4565   5.0286   0.7855
 VSA  H5   H  HCH2  0   0.239    5.4744   4.6601  -1.8671
 VSA  H6   H  HCH2  0   0.225    6.8413   3.9956  -0.9783
 VSA  H7   H  HCH2  0   0.238    4.3105   2.5252  -1.8365
 VSA  H8   H  HCH2  0   0.250    5.9583   2.0402  -2.2113
 VSA  H9   H  HCH1  0   0.276    6.3418   1.2489  -0.0132
 VSA  H10  H  HCR5  0   0.295    2.6124   1.9039  -0.2234
 VSA  H11  H  HCR6  0   0.245    6.6925  -3.0016   0.5258
 VSA  H12  H  HNH2  0   0.396    2.5209  -4.3804   0.9467
 VSA  H13  H  HNH2  0   0.407    1.4711  -3.0404   0.7750
 VSA  H14  H  HCR6  0   0.264    0.9123  -2.0970  -1.3667
 VSA  H15  H  HCR6  0   0.271   -1.5063  -2.3044  -1.4927
 VSA  H16  H  HCR6  0   0.250    0.4836   1.2134   1.3100
 VSA  H17  H  HCR6  0   0.278   -1.9316   1.0411   1.1639
 VSA  H18  H  HNH1  0   0.414   -3.5310  -1.6991  -0.8074
 VSA  H19  H  HNH1  0   0.414   -5.5498  -1.4175  -0.7604
 VSA  H20  H  HCR6  0   0.279   -6.2193   1.9081   0.8186
 VSA  H21  H  HCR6  0   0.256   -8.5061   2.7010   1.0973
 VSA  H22  H  HCR6  0   0.254  -10.4321   1.3332   0.3551
 VSA  H23  H  HCR6  0   0.258  -10.0075  -0.8852  -0.6850
 VSA  H24  H  HCR6  0   0.268   -7.7171  -1.6970  -0.9723

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
 VSA  CAP  CBD  single    1.551  0.020  1.551
 VSA  CAP  CAN  single    1.531  0.020  1.531
 VSA  C2   N3   aromatic  1.316  0.020  1.316
 VSA  C2   N1   aromatic  1.331  0.020  1.331
 VSA  N3   C4   aromatic  1.335  0.020  1.335
 VSA  CBD  NBE  single    1.452  0.020  1.452
 VSA  CBD  CAQ  single    1.540  0.020  1.540
 VSA  N1   C6   aromatic  1.336  0.020  1.336
 VSA  C4   NBE  aromatic  1.356  0.020  1.356
 VSA  C4   C5   aromatic  1.402  0.020  1.402
 VSA  CAN  CAO  single    1.527  0.020  1.527
 VSA  NBE  CAM  aromatic  1.371  0.020  1.371
 VSA  C6   C5   aromatic  1.411  0.020  1.411
 VSA  C6   NAA  single    1.344  0.020  1.344
 VSA  C5   CBA  aromatic  1.435  0.020  1.435
 VSA  CAM  CBA  aromatic  1.369  0.020  1.369
 VSA  CAQ  CAO  single    1.524  0.020  1.524
 VSA  CBA  CAY  single    1.465  0.020  1.465
 VSA  CAK  CAY  aromatic  1.397  0.020  1.397
 VSA  CAK  CAI  aromatic  1.382  0.020  1.382
 VSA  CAY  CAJ  aromatic  1.394  0.020  1.394
 VSA  CAI  CAX  aromatic  1.398  0.020  1.398
 VSA  CAJ  CAH  aromatic  1.387  0.020  1.387
 VSA  CAX  CAH  aromatic  1.396  0.020  1.396
 VSA  CAX  NAU  single    1.394  0.020  1.394
 VSA  OAB  CAV  double    1.218  0.020  1.218
 VSA  CAV  NAU  single    1.370  0.020  1.370
 VSA  CAV  NAT  single    1.368  0.020  1.368
 VSA  NAT  CAW  single    1.395  0.020  1.395
 VSA  CAW  CAF  aromatic  1.397  0.020  1.397
 VSA  CAW  CAG  aromatic  1.399  0.020  1.399
 VSA  CAF  CAD  aromatic  1.389  0.020  1.389
 VSA  CAG  CAE  aromatic  1.384  0.020  1.384
 VSA  CAD  CAC  aromatic  1.386  0.020  1.386
 VSA  CAE  CAC  aromatic  1.389  0.020  1.389
 VSA  CAP  H1   single    0.970  0.020  1.090
 VSA  CAP  H2   single    0.970  0.020  1.090
 VSA  CAN  H3   single    0.970  0.020  1.090
 VSA  CAN  H4   single    0.970  0.020  1.090
 VSA  CAO  H5   single    0.970  0.020  1.090
 VSA  CAO  H6   single    0.970  0.020  1.090
 VSA  CAQ  H7   single    0.970  0.020  1.090
 VSA  CAQ  H8   single    0.970  0.020  1.090
 VSA  CBD  H9   single    0.970  0.020  1.090
 VSA  CAM  H10  single    0.930  0.020  1.080
 VSA  C2   H11  single    0.930  0.020  1.080
 VSA  NAA  H12  single    0.890  0.020  1.040
 VSA  NAA  H13  single    0.890  0.020  1.040
 VSA  CAK  H14  single    0.930  0.020  1.080
 VSA  CAI  H15  single    0.930  0.020  1.080
 VSA  CAJ  H16  single    0.930  0.020  1.080
 VSA  CAH  H17  single    0.930  0.020  1.080
 VSA  NAU  H18  single    0.860  0.020  1.020
 VSA  NAT  H19  single    0.860  0.020  1.020
 VSA  CAF  H20  single    0.930  0.020  1.080
 VSA  CAD  H21  single    0.930  0.020  1.080
 VSA  CAC  H22  single    0.930  0.020  1.080
 VSA  CAE  H23  single    0.930  0.020  1.080
 VSA  CAG  H24  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
 VSA  H2   CAP  H1   106.64  3.000
 VSA  H2   CAP  CBD  112.13  3.000
 VSA  H1   CAP  CBD  109.13  3.000
 VSA  H2   CAP  CAN  112.89  3.000
 VSA  H1   CAP  CAN  110.34  3.000
 VSA  CBD  CAP  CAN  105.71  3.000
 VSA  H4   CAN  H3   107.23  3.000
 VSA  H4   CAN  CAO  113.37  3.000
 VSA  H3   CAN  CAO  109.52  3.000
 VSA  H4   CAN  CAP  112.70  3.000
 VSA  H3   CAN  CAP  110.33  3.000
 VSA  CAO  CAN  CAP  103.67  3.000
 VSA  H6   CAO  H5   107.42  3.000
 VSA  H6   CAO  CAQ  110.52  3.000
 VSA  H5   CAO  CAQ  112.70  3.000
 VSA  H6   CAO  CAN  110.10  3.000
 VSA  H5   CAO  CAN  113.37  3.000
 VSA  CAQ  CAO  CAN  102.72  3.000
 VSA  H8   CAQ  H7   107.20  3.000
 VSA  H8   CAQ  CBD  112.03  3.000
 VSA  H7   CAQ  CBD  109.99  3.000
 VSA  H8   CAQ  CAO  114.07  3.000
 VSA  H7   CAQ  CAO  109.28  3.000
 VSA  CBD  CAQ  CAO  104.24  3.000
 VSA  H9   CBD  NBE  105.45  3.000
 VSA  H9   CBD  CAQ  109.70  3.000
 VSA  NBE  CBD  CAQ  112.76  3.000
 VSA  H9   CBD  CAP  109.72  3.000
 VSA  CAQ  CBD  CAP  105.71  3.000
 VSA  NBE  CBD  CAP  113.51  3.000
 VSA  C4   NBE  CAM  108.31  3.000
 VSA  CAM  NBE  CBD  125.58  3.000
 VSA  C4   NBE  CBD  126.11  3.000
 VSA  H10  CAM  CBA  128.46  3.000
 VSA  H10  CAM  NBE  120.78  3.000
 VSA  CBA  CAM  NBE  110.73  3.000
 VSA  C5   C4   N3   125.91  3.000
 VSA  C5   C4   NBE  108.47  3.000
 VSA  N3   C4   NBE  125.61  3.000
 VSA  C2   N3   C4   112.87  3.000
 VSA  H11  C2   N1   115.57  3.000
 VSA  H11  C2   N3   116.44  3.000
 VSA  N1   C2   N3   127.99  3.000
 VSA  C6   N1   C2   118.78  3.000
 VSA  C5   C6   NAA  123.32  3.000
 VSA  NAA  C6   N1   117.27  3.000
 VSA  C5   C6   N1   119.41  3.000
 VSA  H13  NAA  H12  116.57  3.000
 VSA  H13  NAA  C6   120.64  3.000
 VSA  H12  NAA  C6   118.13  3.000
 VSA  CBA  C5   C6   137.91  3.000
 VSA  CBA  C5   C4   107.05  3.000
 VSA  C6   C5   C4   114.91  3.000
 VSA  CAY  CBA  C5   129.67  3.000
 VSA  CAY  CBA  CAM  124.87  3.000
 VSA  C5   CBA  CAM  105.43  3.000
 VSA  CAJ  CAY  CAK  117.25  3.000
 VSA  CAJ  CAY  CBA  121.00  3.000
 VSA  CAK  CAY  CBA  121.71  3.000
 VSA  H14  CAK  CAI  118.70  3.000
 VSA  H14  CAK  CAY  120.09  3.000
 VSA  CAI  CAK  CAY  121.19  3.000
 VSA  H15  CAI  CAX  119.74  3.000
 VSA  H15  CAI  CAK  119.19  3.000
 VSA  CAX  CAI  CAK  121.06  3.000
 VSA  H16  CAJ  CAH  118.42  3.000
 VSA  H16  CAJ  CAY  119.33  3.000
 VSA  CAH  CAJ  CAY  122.25  3.000
 VSA  H17  CAH  CAX  121.02  3.000
 VSA  H17  CAH  CAJ  119.08  3.000
 VSA  CAX  CAH  CAJ  119.90  3.000
 VSA  NAU  CAX  CAH  124.96  3.000
 VSA  NAU  CAX  CAI  116.68  3.000
 VSA  CAH  CAX  CAI  118.35  3.000
 VSA  H18  NAU  CAV  117.29  3.000
 VSA  H18  NAU  CAX  114.26  3.000
 VSA  CAV  NAU  CAX  128.18  3.000
 VSA  NAT  CAV  OAB  124.08  3.000
 VSA  NAT  CAV  NAU  112.15  3.000
 VSA  OAB  CAV  NAU  123.77  3.000
 VSA  H19  NAT  CAW  114.08  3.000
 VSA  H19  NAT  CAV  117.21  3.000
 VSA  CAW  NAT  CAV  128.71  3.000
 VSA  CAG  CAW  CAF  118.78  3.000
 VSA  CAG  CAW  NAT  116.25  3.000
 VSA  CAF  CAW  NAT  124.97  3.000
 VSA  H20  CAF  CAD  119.38  3.000
 VSA  H20  CAF  CAW  120.99  3.000
 VSA  CAD  CAF  CAW  119.63  3.000
 VSA  H21  CAD  CAC  119.85  3.000
 VSA  H21  CAD  CAF  118.62  3.000
 VSA  CAC  CAD  CAF  121.53  3.000
 VSA  H22  CAC  CAE  120.61  3.000
 VSA  H22  CAC  CAD  120.62  3.000
 VSA  CAE  CAC  CAD  118.77  3.000
 VSA  H23  CAE  CAG  119.25  3.000
 VSA  H23  CAE  CAC  120.32  3.000
 VSA  CAG  CAE  CAC  120.43  3.000
 VSA  H24  CAG  CAE  119.53  3.000
 VSA  H24  CAG  CAW  119.60  3.000
 VSA  CAE  CAG  CAW  120.86  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
 VSA  CONST_01  C2   N3   C4   NBE  180.00   0.0  0
 VSA  CONST_02  C6   C5   C4   NBE  180.00   0.0  0
 VSA  CONST_03  CBA  C5   C4   NBE    0.00   0.0  0
 VSA  CONST_04  C5   CBA  CAM  NBE    0.00   0.0  0
 VSA  CONST_05  CAY  CBA  CAM  NBE  180.00   0.0  0
 VSA  CONST_06  N3   C4   NBE  CAM  180.00   0.0  0
 VSA  CONST_07  C5   C4   NBE  CAM    0.00   0.0  0
 VSA  CONST_08  C4   C5   CBA  CAM    0.00   0.0  0
 VSA  CONST_09  C6   C5   CBA  CAM  180.00   0.0  0
 VSA  CONST_12  N1   C2   N3   C4     0.00   0.0  0
 VSA  CONST_13  CBA  CAM  NBE  C4     0.00   0.0  0
 VSA  CONST_14  N1   C6   C5   C4     0.00   0.0  0
 VSA  CONST_15  CAY  CBA  C5   C4   180.00   0.0  0
 VSA  CONST_16  C6   N1   C2   N3     0.00   0.0  0
 VSA  CONST_17  C6   C5   C4   N3     0.00   0.0  0
 VSA  CONST_18  CBA  C5   C4   N3   180.00   0.0  0
 VSA  CONST_19  C5   C4   N3   C2     0.00   0.0  0
 VSA  CONST_20  C5   C6   N1   C2     0.00   0.0  0
 VSA  CONST_21  CBA  C5   C6   N1   180.00   0.0  0
 VSA  CONST_22  CAY  CBA  C5   C6     0.00   0.0  0
 VSA  CONST_25  CAI  CAK  CAY  CBA  180.00   0.0  0
 VSA  CONST_26  CAH  CAJ  CAY  CBA  180.00   0.0  0
 VSA  CONST_27  CAX  CAI  CAK  CAY    0.00   0.0  0
 VSA  CONST_28  CAX  CAH  CAJ  CAY    0.00   0.0  0
 VSA  CONST_29  CAH  CAJ  CAY  CAK    0.00   0.0  0
 VSA  CONST_30  CAH  CAX  CAI  CAK    0.00   0.0  0
 VSA  CONST_31  CAJ  CAY  CAK  CAI    0.00   0.0  0
 VSA  CONST_32  CAJ  CAH  CAX  CAI    0.00   0.0  0
 VSA  CONST_33  CAC  CAD  CAF  CAW    0.00   0.0  0
 VSA  CONST_34  CAC  CAE  CAG  CAW    0.00   0.0  0
 VSA  CONST_35  CAE  CAG  CAW  CAF    0.00   0.0  0
 VSA  CONST_36  CAE  CAC  CAD  CAF    0.00   0.0  0
 VSA  CONST_37  CAG  CAW  CAF  CAD    0.00   0.0  0
 VSA  CONST_38  CAG  CAE  CAC  CAD    0.00   0.0  0
 VSA  CONST_39  N3   C4   NBE  CBD    0.00   0.0  0
 VSA  CONST_40  C5   C4   NBE  CBD  180.00   0.0  0
 VSA  CONST_41  CBA  CAM  NBE  CBD  180.00   0.0  0
 VSA  CONST_42  NAA  C6   C5   C4   180.00   0.0  0
 VSA  CONST_43  NAA  C6   N1   C2   180.00   0.0  0
 VSA  CONST_44  CBA  C5   C6   NAA    0.00   0.0  0
 VSA  CONST_45  NAU  CAX  CAI  CAK  180.00   0.0  0
 VSA  CONST_46  NAU  CAX  CAH  CAJ  180.00   0.0  0
 VSA  CONST_47  CAD  CAF  CAW  NAT  180.00   0.0  0
 VSA  CONST_48  CAE  CAG  CAW  NAT  180.00   0.0  0
 VSA  CONST_49  H10  CAM  NBE  CBD    0.00   0.0  0
 VSA  CONST_50  H11  C2   N3   C4   180.00   0.0  0
 VSA  CONST_51  H14  CAK  CAY  CBA    0.00   0.0  0
 VSA  CONST_52  H16  CAJ  CAY  CBA    0.00   0.0  0
 VSA  CONST_53  H15  CAI  CAK  CAY  180.00   0.0  0
 VSA  CONST_54  H17  CAH  CAJ  CAY  180.00   0.0  0
 VSA  CONST_55  H21  CAD  CAF  CAW  180.00   0.0  0
 VSA  CONST_56  H23  CAE  CAG  CAW  180.00   0.0  0
 VSA  CONST_57  H24  CAG  CAW  CAF  180.00   0.0  0
 VSA  CONST_58  H22  CAC  CAD  CAF  180.00   0.0  0
 VSA  CONST_59  H20  CAF  CAD  CAC  180.00   0.0  0
 VSA  CONST_60  CAV  NAU  CAX  CAI  180.00   0.0  0
 VSA  CONST_61  CAV  NAU  CAX  CAH    0.00   0.0  0
 VSA  CONST_62  CAF  CAW  NAT  CAV    0.00   0.0  0
 VSA  CONST_63  CAG  CAW  NAT  CAV  180.00   0.0  0
 VSA  CONST_64  H12  NAA  C6   N1     0.00   0.0  0
 VSA  CONST_65  H13  NAA  C6   N1   180.00   0.0  0
 VSA  CONST_66  H18  NAU  CAX  CAI    0.00   0.0  0
 VSA  CONST_67  H19  NAT  CAW  CAF  180.00   0.0  0
 VSA  CONST_68  OAB  CAV  NAU  CAX    0.00   0.0  0
 VSA  CONST_69  CAW  NAT  CAV  OAB    0.00   0.0  0
 VSA  CONST_70  NAT  CAV  NAU  CAX  180.00   0.0  0
 VSA  CONST_71  CAW  NAT  CAV  NAU  180.00   0.0  0
 VSA  Var_01    CAQ  CAO  CAN  CAP   41.63  30.0  1
 VSA  Var_02    CBD  CAQ  CAO  CAN  -39.58  30.0  1
 VSA  Var_03    CBD  CAP  CAN  CAO  -27.58  30.0  1

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
 VSA  chir_01  CBD  CAP  NBE  CAQ  negativ

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
 VSA  plan-1  CBA  0.020
 VSA  plan-1  CAY  0.020
 VSA  plan-1  CAK  0.020
 VSA  plan-1  CAI  0.020
 VSA  plan-1  CAJ  0.020
 VSA  plan-1  CAH  0.020
 VSA  plan-1  CAX  0.020
 VSA  plan-1  NAU  0.020
 VSA  plan-1  H14  0.020
 VSA  plan-1  H15  0.020
 VSA  plan-1  H16  0.020
 VSA  plan-1  H17  0.020
 VSA  plan-2  NAT  0.020
 VSA  plan-2  CAW  0.020
 VSA  plan-2  CAF  0.020
 VSA  plan-2  CAD  0.020
 VSA  plan-2  CAC  0.020
 VSA  plan-2  CAE  0.020
 VSA  plan-2  CAG  0.020
 VSA  plan-2  H20  0.020
 VSA  plan-2  H21  0.020
 VSA  plan-2  H22  0.020
 VSA  plan-2  H23  0.020
 VSA  plan-2  H24  0.020
 VSA  plan-3  CBD  0.020
 VSA  plan-3  NBE  0.020
 VSA  plan-3  CAM  0.020
 VSA  plan-3  C4   0.020
 VSA  plan-3  N3   0.020
 VSA  plan-3  C2   0.020
 VSA  plan-3  N1   0.020
 VSA  plan-3  C6   0.020
 VSA  plan-3  NAA  0.020
 VSA  plan-3  C5   0.020
 VSA  plan-3  CBA  0.020
 VSA  plan-3  CAY  0.020
 VSA  plan-3  H10  0.020
 VSA  plan-3  H11  0.020
 VSA  plan-4  C6   0.020
 VSA  plan-4  NAA  0.020
 VSA  plan-4  H12  0.020
 VSA  plan-4  H13  0.020
 VSA  plan-5  CAX  0.020
 VSA  plan-5  NAU  0.020
 VSA  plan-5  CAV  0.020
 VSA  plan-5  OAB  0.020
 VSA  plan-5  NAT  0.020
 VSA  plan-5  CAW  0.020
 VSA  plan-5  H18  0.020
 VSA  plan-5  H19  0.020

