# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu May  7 22:50:09 2020
#   Inital geometry file: a 134 line input string
#   Ligand name: 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN1CCC(CC1)n2cc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25
#
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
 VSG  VSG  7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine  ligand  55  30  .  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_VSG
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
 VSG  CAR  C  CH2   0  -0.434  -3.9323   1.5536  -1.2959
 VSG  CAS  C  CH2   0  -0.283  -5.1316   2.4877  -1.2377
 VSG  NAT  N  NT    0  -0.409  -5.0997   3.3076  -0.0418
 VSG  CAW  C  CH3   0  -0.518  -6.1729   4.2753  -0.0366
 VSG  CAU  C  CH2   0  -0.283  -5.1192   2.4878   1.1545
 VSG  CAV  C  CH2   0  -0.433  -3.9193   1.5540   1.1998
 VSG  CAQ  C  CH1   0  -0.113  -3.8934   0.6787  -0.0484
 VSG  NAG  N  NR5   0  -0.520  -2.7496  -0.2184  -0.0538
 VSG  CAH  C  CR15  0  -0.051  -1.4328   0.1605  -0.0988
 VSG  C4   C  CR56  0   0.509  -2.8008  -1.5719   0.0259
 VSG  N3   N  N     0  -0.463  -3.9150  -2.3045   0.0836
 VSG  C2   C  CR16  0   0.040  -3.6741  -3.5977   0.1290
 VSG  N1   N  N     0  -0.474  -2.4947  -4.2133   0.0960
 VSG  C6   C  CR6   0   0.393  -1.3847  -3.4742   0.0252
 VSG  NAK  N  NH2   0  -0.824  -0.2107  -4.1265  -0.0258
 VSG  C5   C  CR56  0  -0.115  -1.4894  -2.0671   0.0246
 VSG  CAI  C  CR5   0  -0.011  -0.6133  -0.9342  -0.0492
 VSG  CAJ  C  CR6   0   0.015   0.8515  -0.8774  -0.0413
 VSG  CAP  C  CR16  0  -0.342   1.6042  -1.5985   0.8870
 VSG  CAO  C  CR16  0  -0.307   2.9878  -1.5047   0.9183
 VSG  CAL  C  CR16  0  -0.306   1.5334  -0.0574  -0.9438
 VSG  CAM  C  CR16  0  -0.293   2.9136   0.0479  -0.9201
 VSG  CAN  C  CR6   0   0.313   3.6398  -0.6802   0.0145
 VSG  OAX  O  O2    0  -0.511   5.0073  -0.6486   0.0373
 VSG  CAY  C  CR6   0   0.345   5.6471   0.5583   0.0881
 VSG  CAZ  C  CR16  0  -0.324   5.1339   1.6443   0.7885
 VSG  CBA  C  CR16  0  -0.247   5.8609   2.8259   0.8361
 VSG  CBB  C  CR16  0  -0.268   7.0903   2.9291   0.1989
 VSG  CBC  C  CR16  0  -0.248   7.5943   1.8337  -0.4904
 VSG  CBD  C  CR16  0  -0.331   6.8758   0.6485  -0.5538
 VSG  H1   H  HCH2  0   0.250  -3.9880   0.9334  -2.1927
 VSG  H2   H  HCH2  0   0.229  -3.0180   2.1505  -1.3627
 VSG  H3   H  HCH2  0   0.242  -5.1265   3.1407  -2.1134
 VSG  H4   H  HCH2  0   0.191  -6.0613   1.8919  -1.2924
 VSG  H6   H  HCH3  0   0.191  -7.1742   3.8162  -0.0333
 VSG  H7   H  HCH3  0   0.233  -6.0978   4.9122   0.8458
 VSG  H8   H  HCH3  0   0.233  -6.1042   4.9142  -0.9180
 VSG  H9   H  HCH2  0   0.242  -5.1060   3.1408   2.0301
 VSG  H10  H  HCH2  0   0.191  -6.0478   1.8913   1.2184
 VSG  H11  H  HCH2  0   0.230  -3.0023   2.1481   1.2559
 VSG  H12  H  HCH2  0   0.248  -3.9666   0.9337   2.0970
 VSG  H13  H  HCH1  0   0.262  -4.7765   0.0355  -0.0439
 VSG  H14  H  HCR5  0   0.296  -1.1552   1.2024  -0.1347
 VSG  H15  H  HCR6  0   0.246  -4.5402  -4.2487   0.1911
 VSG  H16  H  HNH2  0   0.397  -0.2282  -5.1224  -0.1681
 VSG  H17  H  HNH2  0   0.407   0.6300  -3.6490  -0.2989
 VSG  H18  H  HCR6  0   0.268   1.1054  -2.2176   1.6225
 VSG  H19  H  HCR6  0   0.272   3.5574  -2.0608   1.6518
 VSG  H20  H  HCR6  0   0.257   0.9757   0.4933  -1.6908
 VSG  H21  H  HCR6  0   0.280   3.4191   0.6832  -1.6370
 VSG  H22  H  HCR6  0   0.278   4.1818   1.5759   1.2993
 VSG  H23  H  HCR6  0   0.263   5.4603   3.6692   1.3834
 VSG  H24  H  HCR6  0   0.257   7.6505   3.8537   0.2386
 VSG  H25  H  HCR6  0   0.262   8.5506   1.9012  -0.9927
 VSG  H26  H  HCR6  0   0.269   7.2640  -0.2040  -1.0964

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
 VSG  CAR  CAS  single    1.521  0.020  1.521
 VSG  CAR  CAQ  single    1.524  0.020  1.524
 VSG  C2   N3   aromatic  1.316  0.020  1.316
 VSG  C2   N1   aromatic  1.331  0.020  1.331
 VSG  CAS  NAT  single    1.450  0.020  1.450
 VSG  CAW  NAT  single    1.445  0.020  1.445
 VSG  N3   C4   aromatic  1.335  0.020  1.335
 VSG  N1   C6   aromatic  1.335  0.020  1.335
 VSG  C4   NAG  aromatic  1.357  0.020  1.357
 VSG  C4   C5   aromatic  1.402  0.020  1.402
 VSG  CAQ  NAG  single    1.454  0.020  1.454
 VSG  CAQ  CAV  single    1.525  0.020  1.525
 VSG  NAT  CAU  single    1.450  0.020  1.450
 VSG  C6   C5   aromatic  1.411  0.020  1.411
 VSG  C6   NAK  single    1.344  0.020  1.344
 VSG  NAG  CAH  aromatic  1.371  0.020  1.371
 VSG  C5   CAI  aromatic  1.434  0.020  1.434
 VSG  CAP  CAO  aromatic  1.387  0.020  1.387
 VSG  CAP  CAJ  aromatic  1.396  0.020  1.396
 VSG  CAH  CAI  aromatic  1.368  0.020  1.368
 VSG  CAI  CAJ  single    1.466  0.020  1.466
 VSG  CAO  CAN  aromatic  1.386  0.020  1.386
 VSG  CAJ  CAL  aromatic  1.397  0.020  1.397
 VSG  CAU  CAV  single    1.521  0.020  1.521
 VSG  CAN  OAX  single    1.368  0.020  1.368
 VSG  CAN  CAM  aromatic  1.390  0.020  1.390
 VSG  OAX  CAY  single    1.367  0.020  1.367
 VSG  CAL  CAM  aromatic  1.384  0.020  1.384
 VSG  CAY  CAZ  aromatic  1.390  0.020  1.390
 VSG  CAY  CBD  aromatic  1.389  0.020  1.389
 VSG  CAZ  CBA  aromatic  1.388  0.020  1.388
 VSG  CBD  CBC  aromatic  1.387  0.020  1.387
 VSG  CBA  CBB  aromatic  1.389  0.020  1.389
 VSG  CBC  CBB  aromatic  1.389  0.020  1.389
 VSG  CAR  H1   single    0.970  0.020  1.090
 VSG  CAR  H2   single    0.970  0.020  1.090
 VSG  CAS  H3   single    0.970  0.020  1.090
 VSG  CAS  H4   single    0.970  0.020  1.090
 VSG  CAW  H6   single    0.970  0.020  1.090
 VSG  CAW  H7   single    0.970  0.020  1.090
 VSG  CAW  H8   single    0.970  0.020  1.090
 VSG  CAU  H9   single    0.970  0.020  1.090
 VSG  CAU  H10  single    0.970  0.020  1.090
 VSG  CAV  H11  single    0.970  0.020  1.090
 VSG  CAV  H12  single    0.970  0.020  1.090
 VSG  CAQ  H13  single    0.970  0.020  1.090
 VSG  CAH  H14  single    0.930  0.020  1.080
 VSG  C2   H15  single    0.930  0.020  1.080
 VSG  NAK  H16  single    0.890  0.020  1.040
 VSG  NAK  H17  single    0.890  0.020  1.040
 VSG  CAP  H18  single    0.930  0.020  1.080
 VSG  CAO  H19  single    0.930  0.020  1.080
 VSG  CAL  H20  single    0.930  0.020  1.080
 VSG  CAM  H21  single    0.930  0.020  1.080
 VSG  CAZ  H22  single    0.930  0.020  1.080
 VSG  CBA  H23  single    0.930  0.020  1.080
 VSG  CBB  H24  single    0.930  0.020  1.080
 VSG  CBC  H25  single    0.930  0.020  1.080
 VSG  CBD  H26  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
 VSG  H2   CAR  H1   107.61  3.000
 VSG  H2   CAR  CAQ  109.99  3.000
 VSG  H1   CAR  CAQ  110.33  3.000
 VSG  H2   CAR  CAS  109.04  3.000
 VSG  H1   CAR  CAS  109.88  3.000
 VSG  CAQ  CAR  CAS  109.95  3.000
 VSG  H4   CAS  H3   106.64  3.000
 VSG  H4   CAS  NAT  111.34  3.000
 VSG  H3   CAS  NAT  108.84  3.000
 VSG  H4   CAS  CAR  109.28  3.000
 VSG  H3   CAS  CAR  109.43  3.000
 VSG  NAT  CAS  CAR  111.19  3.000
 VSG  CAU  NAT  CAW  111.44  3.000
 VSG  CAU  NAT  CAS  111.11  3.000
 VSG  CAW  NAT  CAS  111.42  3.000
 VSG  H8   CAW  H7   107.90  3.000
 VSG  H8   CAW  H6   107.69  3.000
 VSG  H7   CAW  H6   107.67  3.000
 VSG  H8   CAW  NAT  110.03  3.000
 VSG  H7   CAW  NAT  110.04  3.000
 VSG  H6   CAW  NAT  113.33  3.000
 VSG  H10  CAU  H9   106.64  3.000
 VSG  H10  CAU  CAV  109.24  3.000
 VSG  H9   CAU  CAV  109.48  3.000
 VSG  H10  CAU  NAT  111.35  3.000
 VSG  H9   CAU  NAT  108.85  3.000
 VSG  CAV  CAU  NAT  111.16  3.000
 VSG  H12  CAV  H11  107.62  3.000
 VSG  H12  CAV  CAQ  110.32  3.000
 VSG  H11  CAV  CAQ  109.84  3.000
 VSG  H12  CAV  CAU  109.82  3.000
 VSG  H11  CAV  CAU  109.23  3.000
 VSG  CAQ  CAV  CAU  109.97  3.000
 VSG  H13  CAQ  NAG  105.83  3.000
 VSG  H13  CAQ  CAV  108.71  3.000
 VSG  NAG  CAQ  CAV  111.76  3.000
 VSG  H13  CAQ  CAR  108.70  3.000
 VSG  CAV  CAQ  CAR  109.88  3.000
 VSG  NAG  CAQ  CAR  111.80  3.000
 VSG  C4   NAG  CAH  108.30  3.000
 VSG  CAH  NAG  CAQ  125.83  3.000
 VSG  C4   NAG  CAQ  125.85  3.000
 VSG  H14  CAH  CAI  128.29  3.000
 VSG  H14  CAH  NAG  121.01  3.000
 VSG  CAI  CAH  NAG  110.67  3.000
 VSG  C5   C4   N3   125.95  3.000
 VSG  C5   C4   NAG  108.48  3.000
 VSG  N3   C4   NAG  125.56  3.000
 VSG  C2   N3   C4   112.83  3.000
 VSG  H15  C2   N1   115.54  3.000
 VSG  H15  C2   N3   116.44  3.000
 VSG  N1   C2   N3   128.01  3.000
 VSG  C6   N1   C2   118.81  3.000
 VSG  C5   C6   NAK  123.28  3.000
 VSG  NAK  C6   N1   117.35  3.000
 VSG  C5   C6   N1   119.36  3.000
 VSG  H17  NAK  H16  116.52  3.000
 VSG  H17  NAK  C6   120.70  3.000
 VSG  H16  NAK  C6   118.07  3.000
 VSG  CAI  C5   C6   137.95  3.000
 VSG  CAI  C5   C4   107.01  3.000
 VSG  C6   C5   C4   114.94  3.000
 VSG  CAJ  CAI  C5   129.85  3.000
 VSG  CAJ  CAI  CAH  124.58  3.000
 VSG  C5   CAI  CAH  105.54  3.000
 VSG  CAL  CAJ  CAP  118.01  3.000
 VSG  CAL  CAJ  CAI  120.46  3.000
 VSG  CAP  CAJ  CAI  121.49  3.000
 VSG  H18  CAP  CAO  118.86  3.000
 VSG  H18  CAP  CAJ  119.91  3.000
 VSG  CAO  CAP  CAJ  121.19  3.000
 VSG  H19  CAO  CAN  119.98  3.000
 VSG  H19  CAO  CAP  120.36  3.000
 VSG  CAN  CAO  CAP  119.65  3.000
 VSG  H20  CAL  CAM  119.12  3.000
 VSG  H20  CAL  CAJ  119.52  3.000
 VSG  CAM  CAL  CAJ  121.35  3.000
 VSG  H21  CAM  CAN  120.57  3.000
 VSG  H21  CAM  CAL  119.91  3.000
 VSG  CAN  CAM  CAL  119.51  3.000
 VSG  OAX  CAN  CAM  121.43  3.000
 VSG  CAM  CAN  CAO  120.28  3.000
 VSG  OAX  CAN  CAO  118.24  3.000
 VSG  CAY  OAX  CAN  119.26  3.000
 VSG  CBD  CAY  CAZ  120.56  3.000
 VSG  CBD  CAY  OAX  117.01  3.000
 VSG  CAZ  CAY  OAX  122.39  3.000
 VSG  H22  CAZ  CBA  119.88  3.000
 VSG  H22  CAZ  CAY  120.85  3.000
 VSG  CBA  CAZ  CAY  119.26  3.000
 VSG  H23  CBA  CBB  120.13  3.000
 VSG  H23  CBA  CAZ  119.13  3.000
 VSG  CBB  CBA  CAZ  120.74  3.000
 VSG  H24  CBB  CBC  120.29  3.000
 VSG  H24  CBB  CBA  120.34  3.000
 VSG  CBC  CBB  CBA  119.37  3.000
 VSG  H25  CBC  CBD  119.32  3.000
 VSG  H25  CBC  CBB  120.12  3.000
 VSG  CBD  CBC  CBB  120.56  3.000
 VSG  H26  CBD  CBC  120.66  3.000
 VSG  H26  CBD  CAY  119.84  3.000
 VSG  CBC  CBD  CAY  119.50  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
 VSG  CONST_01  C2   N3   C4   NAG  180.00   0.0  0
 VSG  CONST_02  C6   C5   C4   NAG  180.00   0.0  0
 VSG  CONST_03  CAI  C5   C4   NAG    0.00   0.0  0
 VSG  CONST_04  C5   CAI  CAH  NAG    0.00   0.0  0
 VSG  CONST_05  CAJ  CAI  CAH  NAG  180.00   0.0  0
 VSG  CONST_06  N3   C4   NAG  CAH  180.00   0.0  0
 VSG  CONST_07  C5   C4   NAG  CAH    0.00   0.0  0
 VSG  CONST_08  C4   C5   CAI  CAH    0.00   0.0  0
 VSG  CONST_09  C6   C5   CAI  CAH  180.00   0.0  0
 VSG  CONST_12  N1   C2   N3   C4     0.00   0.0  0
 VSG  CONST_13  CAI  CAH  NAG  C4     0.00   0.0  0
 VSG  CONST_14  N1   C6   C5   C4     0.00   0.0  0
 VSG  CONST_15  CAJ  CAI  C5   C4   180.00   0.0  0
 VSG  CONST_16  C6   N1   C2   N3     0.00   0.0  0
 VSG  CONST_17  C6   C5   C4   N3     0.00   0.0  0
 VSG  CONST_18  CAI  C5   C4   N3   180.00   0.0  0
 VSG  CONST_19  C5   C4   N3   C2     0.00   0.0  0
 VSG  CONST_20  C5   C6   N1   C2     0.00   0.0  0
 VSG  CONST_21  CAI  C5   C6   N1   180.00   0.0  0
 VSG  CONST_22  CAJ  CAI  C5   C6     0.00   0.0  0
 VSG  CONST_25  CAO  CAP  CAJ  CAI  180.00   0.0  0
 VSG  CONST_26  CAM  CAL  CAJ  CAI  180.00   0.0  0
 VSG  CONST_27  CAN  CAO  CAP  CAJ    0.00   0.0  0
 VSG  CONST_28  CAN  CAM  CAL  CAJ    0.00   0.0  0
 VSG  CONST_29  CAM  CAN  CAO  CAP    0.00   0.0  0
 VSG  CONST_30  CAM  CAL  CAJ  CAP    0.00   0.0  0
 VSG  CONST_31  CAL  CAJ  CAP  CAO    0.00   0.0  0
 VSG  CONST_32  CAL  CAM  CAN  CAO    0.00   0.0  0
 VSG  CONST_33  CBB  CBA  CAZ  CAY    0.00   0.0  0
 VSG  CONST_34  CBB  CBC  CBD  CAY    0.00   0.0  0
 VSG  CONST_35  CBC  CBD  CAY  CAZ    0.00   0.0  0
 VSG  CONST_36  CBC  CBB  CBA  CAZ    0.00   0.0  0
 VSG  CONST_37  CBD  CAY  CAZ  CBA    0.00   0.0  0
 VSG  CONST_38  CBD  CBC  CBB  CBA    0.00   0.0  0
 VSG  CONST_39  N3   C4   NAG  CAQ    0.00   0.0  0
 VSG  CONST_40  C5   C4   NAG  CAQ  180.00   0.0  0
 VSG  CONST_41  CAI  CAH  NAG  CAQ  180.00   0.0  0
 VSG  CONST_42  NAK  C6   C5   C4   180.00   0.0  0
 VSG  CONST_43  NAK  C6   N1   C2   180.00   0.0  0
 VSG  CONST_44  CAI  C5   C6   NAK    0.00   0.0  0
 VSG  CONST_45  OAX  CAN  CAO  CAP  180.00   0.0  0
 VSG  CONST_46  OAX  CAN  CAM  CAL  180.00   0.0  0
 VSG  CONST_47  CBA  CAZ  CAY  OAX  180.00   0.0  0
 VSG  CONST_48  CBC  CBD  CAY  OAX  180.00   0.0  0
 VSG  CONST_49  H14  CAH  NAG  CAQ    0.00   0.0  0
 VSG  CONST_50  H15  C2   N3   C4   180.00   0.0  0
 VSG  CONST_51  H18  CAP  CAJ  CAI    0.00   0.0  0
 VSG  CONST_52  H20  CAL  CAJ  CAI    0.00   0.0  0
 VSG  CONST_53  H19  CAO  CAP  CAJ  180.00   0.0  0
 VSG  CONST_54  H21  CAM  CAL  CAJ  180.00   0.0  0
 VSG  CONST_55  H23  CBA  CAZ  CAY  180.00   0.0  0
 VSG  CONST_56  H25  CBC  CBD  CAY  180.00   0.0  0
 VSG  CONST_57  H26  CBD  CAY  CAZ  180.00   0.0  0
 VSG  CONST_58  H24  CBB  CBA  CAZ  180.00   0.0  0
 VSG  CONST_59  H22  CAZ  CBA  CBB  180.00   0.0  0
 VSG  CONST_60  H16  NAK  C6   N1     0.00   0.0  0
 VSG  CONST_61  H17  NAK  C6   N1   180.00   0.0  0
 VSG  Var_01    CAU  NAT  CAS  CAR  -59.99  30.0  1
 VSG  Var_02    CAV  CAU  NAT  CAS   59.98  30.0  1
 VSG  Var_03    CAQ  CAR  CAS  NAT   57.24  30.0  1
 VSG  Var_04    CAQ  CAV  CAU  NAT  -57.25  30.0  1
 VSG  Var_05    CAZ  CAY  OAX  CAN   34.88  30.0  2
 VSG  Var_06    H6   CAW  NAT  CAS   62.27  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
 VSG  chir_01  CAQ  CAR  NAG  CAV  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
 VSG  plan-1  CAI  0.020
 VSG  plan-1  CAJ  0.020
 VSG  plan-1  CAP  0.020
 VSG  plan-1  CAO  0.020
 VSG  plan-1  CAL  0.020
 VSG  plan-1  CAM  0.020
 VSG  plan-1  CAN  0.020
 VSG  plan-1  OAX  0.020
 VSG  plan-1  H18  0.020
 VSG  plan-1  H19  0.020
 VSG  plan-1  H20  0.020
 VSG  plan-1  H21  0.020
 VSG  plan-2  OAX  0.020
 VSG  plan-2  CAY  0.020
 VSG  plan-2  CAZ  0.020
 VSG  plan-2  CBA  0.020
 VSG  plan-2  CBB  0.020
 VSG  plan-2  CBC  0.020
 VSG  plan-2  CBD  0.020
 VSG  plan-2  H22  0.020
 VSG  plan-2  H23  0.020
 VSG  plan-2  H24  0.020
 VSG  plan-2  H25  0.020
 VSG  plan-2  H26  0.020
 VSG  plan-3  CAQ  0.020
 VSG  plan-3  NAG  0.020
 VSG  plan-3  CAH  0.020
 VSG  plan-3  C4   0.020
 VSG  plan-3  N3   0.020
 VSG  plan-3  C2   0.020
 VSG  plan-3  N1   0.020
 VSG  plan-3  C6   0.020
 VSG  plan-3  NAK  0.020
 VSG  plan-3  C5   0.020
 VSG  plan-3  CAI  0.020
 VSG  plan-3  CAJ  0.020
 VSG  plan-3  H14  0.020
 VSG  plan-3  H15  0.020
 VSG  plan-4  C6   0.020
 VSG  plan-4  NAK  0.020
 VSG  plan-4  H16  0.020
 VSG  plan-4  H17  0.020

