# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Jul 22 03:10:12 2021
#   Inital geometry file: a 145 line input string
#   Ligand name: ~{N},~{N}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(ccc5n3)C(=O)N(C)C)cn2
#
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
 NBW  NBW  ~{N},~{N}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide  ligand  63  33  .  2022-07-22  2022-07-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_NBW
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
 NBW  C1   C  CR16  0  -0.219  -114.8477  16.0860  -27.0114
 NBW  C2   C  CR16  0  -0.271  -115.9131  16.0443  -26.1578
 NBW  C3   C  CR15  0  -0.071  -108.2112  15.7608  -25.9295
 NBW  C7   C  CR5   0   0.050  -108.8625  16.1414  -27.1180
 NBW  C8   C  CR6   0   0.072  -115.6848  15.9314  -24.7677
 NBW  C9   C  CR6   0   0.558  -112.0949  15.8949  -24.5703
 NBW  C10  C  CR6   0   0.573  -111.2886  16.0395  -26.6840
 NBW  C11  C  C     0   0.518  -116.8608  15.9711  -23.8363
 NBW  C12  C  CH2   0  -0.509  -110.6894  14.6769  -21.5457
 NBW  C13  C  CH2   0  -0.505  -110.0329  14.3125  -22.8502
 NBW  C14  C  CH2   0  -0.437  -104.9061  15.9254  -28.8577
 NBW  C15  C  CH2   0  -0.440  -105.2414  18.2629  -28.0442
 NBW  C16  C  CH2   0  -0.283  -103.5038  16.3324  -29.2833
 NBW  C19  C  CT    0   0.252  -110.6866  15.6414  -22.6810
 NBW  C20  C  CH3   0  -0.693  -109.8912  16.9132  -22.5972
 NBW  C22  C  CH3   0  -0.529  -117.8567  15.3821  -21.7220
 NBW  N25  N  N     0  -0.397  -114.4827  15.8915  -24.2521
 NBW  N26  N  N     0  -0.524  -112.4618  16.0902  -27.2830
 NBW  N29  N  NT    0  -0.409  -103.4468  17.7385  -29.6330
 NBW  C4   C  CR15  0  -0.011  -107.8458  16.5786  -27.9426
 NBW  C5   C  CR66  0   0.258  -113.5385  16.0432  -26.4799
 NBW  C6   C  CR66  0   0.024  -113.4353  15.9494  -25.0789
 NBW  C17  C  CH2   0  -0.281  -103.8285  18.5756  -28.5119
 NBW  C18  C  CH1   0  -0.085  -105.3598  16.7866  -27.6852
 NBW  C23  C  CH3   0  -0.513  -115.9256  14.1007  -22.4969
 NBW  N24  N  N     0  -0.285  -106.9073  15.9593  -26.0308
 NBW  N27  N  N     0  -0.486  -111.0637  15.9346  -25.3552
 NBW  N28  N  NR5   0  -0.273  -106.7010  16.4446  -27.2438
 NBW  N30  N  NH1   0  -0.753  -110.2027  16.0962  -27.4846
 NBW  N31  N  NT    0  -0.441  -116.8259  15.2157  -22.7272
 NBW  O32  O  O     0  -0.493  -117.7912  16.7222  -24.1112
 NBW  O33  O  O2    0  -0.448  -111.9713  15.7937  -23.2655
 NBW  H1   H  HCR6  0   0.277  -114.9843  16.1556  -28.0826
 NBW  H2   H  HCR6  0   0.279  -116.9245  16.0860  -26.5375
 NBW  H4   H  HCH2  0   0.264  -111.6220  14.1854  -21.2980
 NBW  H5   H  HCH2  0   0.259  -110.0625  14.9051  -20.6930
 NBW  H6   H  HCH2  0   0.269  -110.5225  13.5713  -23.4692
 NBW  H7   H  HCH2  0   0.258  -108.9512  14.2853  -22.8952
 NBW  H8   H  HCH2  0   0.231  -105.5920  16.0481  -29.7007
 NBW  H9   H  HCH2  0   0.250  -104.9148  14.8704  -28.5771
 NBW  H10  H  HCH2  0   0.252  -105.4909  18.8832  -27.1811
 NBW  H11  H  HCH2  0   0.229  -105.9476  18.5123  -28.8415
 NBW  H12  H  HCH2  0   0.242  -103.2003  15.7418  -30.1506
 NBW  H13  H  HCH2  0   0.192  -102.7928  16.0875  -28.4727
 NBW  H14  H  HCH3  0   0.239  -108.9630  16.7308  -22.0559
 NBW  H15  H  HCH3  0   0.249  -109.6305  17.2954  -23.5832
 NBW  H16  H  HCH3  0   0.243  -110.4445  17.6828  -22.0572
 NBW  H17  H  HCH3  0   0.233  -102.1433  19.1468  -30.4583
 NBW  H18  H  HCH3  0   0.192  -101.3398  17.9801  -29.3960
 NBW  H19  H  HCH3  0   0.233  -101.8903  17.4897  -31.0048
 NBW  H20  H  HCH3  0   0.248  -117.4131  15.2595  -20.7342
 NBW  H21  H  HCH3  0   0.255  -118.2989  16.3719  -21.7782
 NBW  H22  H  HCH3  0   0.242  -118.6482  14.6376  -21.8352
 NBW  H24  H  HCR5  0   0.298  -107.8761  16.9573  -28.9520
 NBW  H25  H  HCH2  0   0.192  -103.1290  18.4599  -27.6640
 NBW  H26  H  HCH2  0   0.242  -103.7736  19.6225  -28.8193
 NBW  H27  H  HCH1  0   0.263  -104.7192  16.5771  -26.8252
 NBW  H28  H  HCH3  0   0.248  -116.4971  13.2841  -22.0553
 NBW  H29  H  HCH3  0   0.256  -115.4902  13.7339  -23.4200
 NBW  H30  H  HCH3  0   0.242  -115.1184  14.3638  -21.8126
 NBW  H31  H  HNH1  0   0.409  -110.4070  16.2075  -28.4657
 NBW  H3   H  HCR5  0   0.287  -108.6413  15.3661  -25.0262
 NBW  C21  C  CH3   0  -0.518  -102.1433  18.1035  -30.1389

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
 NBW  N29  C16  single    1.450  0.020  1.450
 NBW  N29  C21  single    1.445  0.020  1.445
 NBW  N29  C17  single    1.450  0.020  1.450
 NBW  C14  C16  single    1.521  0.020  1.521
 NBW  C14  C18  single    1.524  0.020  1.524
 NBW  C4   N28  aromatic  1.348  0.020  1.348
 NBW  C4   C7   aromatic  1.380  0.020  1.380
 NBW  C15  C17  single    1.521  0.020  1.521
 NBW  C15  C18  single    1.524  0.020  1.524
 NBW  C18  N28  single    1.453  0.020  1.453
 NBW  N30  C7   single    1.390  0.020  1.390
 NBW  N30  C10  single    1.350  0.020  1.350
 NBW  N28  N24  aromatic  1.323  0.020  1.323
 NBW  C7   C3   aromatic  1.408  0.020  1.408
 NBW  N26  C10  aromatic  1.318  0.020  1.318
 NBW  N26  C5   aromatic  1.344  0.020  1.344
 NBW  C10  N27  aromatic  1.352  0.020  1.352
 NBW  C1   C5   aromatic  1.414  0.020  1.414
 NBW  C1   C2   aromatic  1.366  0.020  1.366
 NBW  N24  C3   aromatic  1.323  0.020  1.323
 NBW  C5   C6   aromatic  1.408  0.020  1.408
 NBW  C2   C8   aromatic  1.413  0.020  1.413
 NBW  N27  C9   aromatic  1.297  0.020  1.297
 NBW  C6   C9   aromatic  1.435  0.020  1.435
 NBW  C6   N25  aromatic  1.336  0.020  1.336
 NBW  C9   O33  single    1.315  0.020  1.315
 NBW  C8   N25  aromatic  1.309  0.020  1.309
 NBW  C8   C11  single    1.501  0.020  1.501
 NBW  O32  C11  double    1.227  0.020  1.227
 NBW  C11  N31  single    1.342  0.020  1.342
 NBW  O33  C19  single    1.420  0.020  1.420
 NBW  C20  C19  single    1.502  0.020  1.502
 NBW  C13  C19  single    1.491  0.020  1.491
 NBW  C13  C12  single    1.505  0.020  1.505
 NBW  C19  C12  single    1.490  0.020  1.490
 NBW  N31  C23  single    1.451  0.020  1.451
 NBW  N31  C22  single    1.449  0.020  1.449
 NBW  C1   H1   single    0.930  0.020  1.080
 NBW  C2   H2   single    0.930  0.020  1.080
 NBW  C3   H3   single    0.930  0.020  1.080
 NBW  C12  H4   single    0.970  0.020  1.090
 NBW  C12  H5   single    0.970  0.020  1.090
 NBW  C13  H6   single    0.970  0.020  1.090
 NBW  C13  H7   single    0.970  0.020  1.090
 NBW  C14  H8   single    0.970  0.020  1.090
 NBW  C14  H9   single    0.970  0.020  1.090
 NBW  C15  H10  single    0.970  0.020  1.090
 NBW  C15  H11  single    0.970  0.020  1.090
 NBW  C16  H12  single    0.970  0.020  1.090
 NBW  C16  H13  single    0.970  0.020  1.090
 NBW  C20  H14  single    0.970  0.020  1.090
 NBW  C20  H15  single    0.970  0.020  1.090
 NBW  C20  H16  single    0.970  0.020  1.090
 NBW  C21  H17  single    0.970  0.020  1.090
 NBW  C21  H18  single    0.970  0.020  1.090
 NBW  C21  H19  single    0.970  0.020  1.090
 NBW  C22  H20  single    0.970  0.020  1.090
 NBW  C22  H21  single    0.970  0.020  1.090
 NBW  C22  H22  single    0.970  0.020  1.090
 NBW  C4   H24  single    0.930  0.020  1.080
 NBW  C17  H25  single    0.970  0.020  1.090
 NBW  C17  H26  single    0.970  0.020  1.090
 NBW  C18  H27  single    0.970  0.020  1.090
 NBW  C23  H28  single    0.970  0.020  1.090
 NBW  C23  H29  single    0.970  0.020  1.090
 NBW  C23  H30  single    0.970  0.020  1.090
 NBW  N30  H31  single    0.860  0.020  1.020

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
 NBW  H1   C1   C5   119.41  3.000
 NBW  H1   C1   C2   121.47  3.000
 NBW  C5   C1   C2   119.11  3.000
 NBW  H2   C2   C8   119.98  3.000
 NBW  H2   C2   C1   120.61  3.000
 NBW  C8   C2   C1   119.42  3.000
 NBW  H3   C3   N24  120.90  3.000
 NBW  H3   C3   C7   128.56  3.000
 NBW  N24  C3   C7   110.54  3.000
 NBW  N30  C7   C4   124.26  3.000
 NBW  N30  C7   C3   131.29  3.000
 NBW  C4   C7   C3   104.44  3.000
 NBW  N25  C8   C11  118.43  3.000
 NBW  C11  C8   C2   118.80  3.000
 NBW  N25  C8   C2   122.58  3.000
 NBW  O33  C9   N27  121.90  3.000
 NBW  O33  C9   C6   116.28  3.000
 NBW  N27  C9   C6   121.82  3.000
 NBW  N30  C10  N27  116.89  3.000
 NBW  N27  C10  N26  126.71  3.000
 NBW  N30  C10  N26  116.40  3.000
 NBW  O32  C11  N31  123.32  3.000
 NBW  N31  C11  C8   118.52  3.000
 NBW  O32  C11  C8   118.13  3.000
 NBW  H5   C12  H4   114.47  3.000
 NBW  H5   C12  C19  117.56  3.000
 NBW  H4   C12  C19  118.02  3.000
 NBW  H5   C12  C13  118.76  3.000
 NBW  H4   C12  C13  117.64  3.000
 NBW  C19  C12  C13   59.69  3.000
 NBW  H7   C13  H6   114.25  3.000
 NBW  H7   C13  C19  117.72  3.000
 NBW  H6   C13  C19  118.49  3.000
 NBW  H7   C13  C12  118.53  3.000
 NBW  H6   C13  C12  117.64  3.000
 NBW  C19  C13  C12   59.64  3.000
 NBW  H9   C14  H8   107.55  3.000
 NBW  H9   C14  C18  110.24  3.000
 NBW  H8   C14  C18  110.05  3.000
 NBW  H9   C14  C16  109.75  3.000
 NBW  H8   C14  C16  109.42  3.000
 NBW  C18  C14  C16  109.79  3.000
 NBW  H11  C15  H10  107.41  3.000
 NBW  H11  C15  C18  110.02  3.000
 NBW  H10  C15  C18  110.26  3.000
 NBW  H11  C15  C17  109.19  3.000
 NBW  H10  C15  C17  109.79  3.000
 NBW  C18  C15  C17  110.11  3.000
 NBW  H13  C16  H12  106.48  3.000
 NBW  H13  C16  N29  111.49  3.000
 NBW  H12  C16  N29  108.78  3.000
 NBW  H13  C16  C14  109.18  3.000
 NBW  H12  C16  C14  109.49  3.000
 NBW  N29  C16  C14  111.30  3.000
 NBW  O33  C19  C20  114.29  3.000
 NBW  C20  C19  C13  121.92  3.000
 NBW  O33  C19  C13  116.47  3.000
 NBW  C13  C19  C12   60.67  3.000
 NBW  C20  C19  C12  120.43  3.000
 NBW  O33  C19  C12  112.43  3.000
 NBW  H16  C20  H15  108.77  3.000
 NBW  H16  C20  H14  107.71  3.000
 NBW  H15  C20  H14  107.73  3.000
 NBW  H16  C20  C19  110.87  3.000
 NBW  H15  C20  C19  111.92  3.000
 NBW  H14  C20  C19  109.70  3.000
 NBW  H22  C22  H21  108.71  3.000
 NBW  H22  C22  H20  108.19  3.000
 NBW  H21  C22  H20  108.38  3.000
 NBW  H22  C22  N31  111.42  3.000
 NBW  H21  C22  N31  111.00  3.000
 NBW  H20  C22  N31  109.04  3.000
 NBW  C6   N25  C8   118.36  3.000
 NBW  C5   N26  C10  116.11  3.000
 NBW  C17  N29  C21  111.24  3.000
 NBW  C17  N29  C16  111.28  3.000
 NBW  C21  N29  C16  111.40  3.000
 NBW  H24  C4   N28  122.95  3.000
 NBW  H24  C4   C7   130.53  3.000
 NBW  N28  C4   C7   106.52  3.000
 NBW  C6   C5   N26  122.56  3.000
 NBW  C6   C5   C1   116.36  3.000
 NBW  N26  C5   C1   121.08  3.000
 NBW  C5   C6   N25  124.16  3.000
 NBW  N25  C6   C9   120.76  3.000
 NBW  C5   C6   C9   115.07  3.000
 NBW  H26  C17  H25  106.52  3.000
 NBW  H26  C17  N29  108.81  3.000
 NBW  H25  C17  N29  111.47  3.000
 NBW  H26  C17  C15  109.28  3.000
 NBW  H25  C17  C15  109.30  3.000
 NBW  N29  C17  C15  111.32  3.000
 NBW  H27  C18  N28  104.89  3.000
 NBW  H27  C18  C15  109.00  3.000
 NBW  N28  C18  C15  111.80  3.000
 NBW  H27  C18  C14  108.83  3.000
 NBW  N28  C18  C14  112.06  3.000
 NBW  C15  C18  C14  110.06  3.000
 NBW  H30  C23  H29  108.58  3.000
 NBW  H30  C23  H28  108.34  3.000
 NBW  H29  C23  H28  107.57  3.000
 NBW  H30  C23  N31  111.92  3.000
 NBW  H29  C23  N31  111.95  3.000
 NBW  H28  C23  N31  108.33  3.000
 NBW  N28  N24  C3   106.20  3.000
 NBW  C10  N27  C9   117.72  3.000
 NBW  N24  N28  C18  120.60  3.000
 NBW  N24  N28  C4   112.30  3.000
 NBW  C18  N28  C4   127.10  3.000
 NBW  H31  N30  C10  114.75  3.000
 NBW  H31  N30  C7   116.63  3.000
 NBW  C10  N30  C7   128.34  3.000
 NBW  C23  N31  C22  114.79  3.000
 NBW  C22  N31  C11  119.34  3.000
 NBW  C23  N31  C11  125.42  3.000
 NBW  C19  O33  C9   120.13  3.000
 NBW  H19  C21  H18  107.65  3.000
 NBW  H19  C21  H17  107.80  3.000
 NBW  H18  C21  H17  107.74  3.000
 NBW  H19  C21  N29  110.17  3.000
 NBW  H18  C21  N29  113.18  3.000
 NBW  H17  C21  N29  110.12  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
 NBW  CONST_01  C10  N26  C5   C1    180.00   0.0  0
 NBW  CONST_02  C9   C6   C5   C1    180.00   0.0  0
 NBW  CONST_03  N25  C6   C5   C1      0.00   0.0  0
 NBW  CONST_04  N25  C8   C2   C1      0.00   0.0  0
 NBW  CONST_05  N26  C5   C1   C2    180.00   0.0  0
 NBW  CONST_06  C6   C5   C1   C2      0.00   0.0  0
 NBW  CONST_07  C6   N25  C8   C2      0.00   0.0  0
 NBW  CONST_08  N28  C4   C7   C3      0.00   0.0  0
 NBW  CONST_09  C4   N28  N24  C3      0.00   0.0  0
 NBW  CONST_10  N24  N28  C4   C7      0.00   0.0  0
 NBW  CONST_11  N28  N24  C3   C7      0.00   0.0  0
 NBW  CONST_12  C5   C1   C2   C8      0.00   0.0  0
 NBW  CONST_13  C5   C6   N25  C8      0.00   0.0  0
 NBW  CONST_14  C9   C6   N25  C8    180.00   0.0  0
 NBW  CONST_15  N26  C10  N27  C9      0.00   0.0  0
 NBW  CONST_16  N26  C5   C6   C9      0.00   0.0  0
 NBW  CONST_17  C6   C5   N26  C10     0.00   0.0  0
 NBW  CONST_18  C6   C9   N27  C10     0.00   0.0  0
 NBW  CONST_19  N26  C5   C6   N25   180.00   0.0  0
 NBW  CONST_20  N27  C9   C6   N25   180.00   0.0  0
 NBW  CONST_21  N24  C3   C7   C4      0.00   0.0  0
 NBW  CONST_22  N27  C10  N26  C5      0.00   0.0  0
 NBW  CONST_23  N27  C9   C6   C5      0.00   0.0  0
 NBW  CONST_24  C18  N28  N24  C3    180.00   0.0  0
 NBW  CONST_25  C18  N28  C4   C7    180.00   0.0  0
 NBW  CONST_26  C11  C8   C2   C1    180.00   0.0  0
 NBW  CONST_27  N30  C10  N27  C9    180.00   0.0  0
 NBW  CONST_28  O33  C9   N27  C10   180.00   0.0  0
 NBW  CONST_29  C6   N25  C8   C11   180.00   0.0  0
 NBW  CONST_30  O33  C9   C6   N25     0.00   0.0  0
 NBW  CONST_31  N30  C10  N26  C5    180.00   0.0  0
 NBW  CONST_32  O33  C9   C6   C5    180.00   0.0  0
 NBW  CONST_33  N30  C7   C3   N24   180.00   0.0  0
 NBW  CONST_34  N30  C7   C4   N28   180.00   0.0  0
 NBW  CONST_35  H24  C4   C7   C3    180.00   0.0  0
 NBW  CONST_36  H1   C1   C2   C8    180.00   0.0  0
 NBW  CONST_37  H2   C2   C8   N25   180.00   0.0  0
 NBW  CONST_38  H3   C3   C7   C4    180.00   0.0  0
 NBW  CONST_40  C22  N31  C11  C8    180.00   0.0  0
 NBW  CONST_41  O32  C11  N31  C22     0.00   0.0  0
 NBW  CONST_42  O32  C11  N31  C23   180.00   0.0  0
 NBW  Var_01    C17  N29  C16  C14    59.83  30.0  1
 NBW  Var_02    C16  N29  C17  C15   -59.39  30.0  1
 NBW  Var_03    C18  C14  C16  N29   -57.30  30.0  1
 NBW  Var_04    C18  C15  C17  N29    56.60  30.0  1
 NBW  Var_05    C10  N30  C7   C3     21.28  30.0  1
 NBW  Var_06    N26  C10  N30  C7    175.87  30.0  2
 NBW  Var_07    C13  C19  O33  C9    -72.98  30.0  3
 NBW  Var_08    O33  C19  C13  C12  -102.07  30.0  1
 NBW  Var_09    N27  C9   O33  C19    -3.88  30.0  3
 NBW  Var_10    O32  C11  C8   C2    -36.80  30.0  2
 NBW  Var_11    H14  C20  C19  C12    36.10  30.0  3
 NBW  Var_12    H17  C21  N29  C16   176.18  30.0  3
 NBW  Var_13    H28  C23  N31  C11  -136.40  30.0  3
 NBW  Var_14    H20  C22  N31  C11  -143.57  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
 NBW  chir_02  C18  C14  C15  N28  negativ
 NBW  chir_03  C19  C20  C13  C12  both

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
 NBW  plan-1  C3   0.020
 NBW  plan-1  C7   0.020
 NBW  plan-1  C4   0.020
 NBW  plan-1  C18  0.020
 NBW  plan-1  N24  0.020
 NBW  plan-1  N28  0.020
 NBW  plan-1  N30  0.020
 NBW  plan-1  H24  0.020
 NBW  plan-1  H3   0.020
 NBW  plan-2  C8   0.020
 NBW  plan-2  C11  0.020
 NBW  plan-2  C22  0.020
 NBW  plan-2  C23  0.020
 NBW  plan-2  N31  0.020
 NBW  plan-2  O32  0.020
 NBW  plan-3  C1   0.020
 NBW  plan-3  C2   0.020
 NBW  plan-3  C8   0.020
 NBW  plan-3  C9   0.020
 NBW  plan-3  C10  0.020
 NBW  plan-3  C11  0.020
 NBW  plan-3  N25  0.020
 NBW  plan-3  N26  0.020
 NBW  plan-3  C5   0.020
 NBW  plan-3  C6   0.020
 NBW  plan-3  N27  0.020
 NBW  plan-3  N30  0.020
 NBW  plan-3  O33  0.020
 NBW  plan-3  H1   0.020
 NBW  plan-3  H2   0.020

