# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr  1 02:22:50 2020
#   Inital geometry file: a 142 line input string
#   Ligand name: tert-butyl {(3R,6S)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl}carbamate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@H]1CC[C@H](CN1c2cc(nc(N)n2)c3ccc4c(N)[nH]nc4c3)NC(=O)OC(C)(C)C
#
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
 3Q5  3Q5  'tert-butyl {(3R,6S)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl}carbamate'  ligand  62  32  .  2021-08-04  2021-08-04  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_3Q5
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
 3Q5  C1    C  CR16  0  -0.279  -3.6035  -2.3787   0.7693
 3Q5  C2    C  CR16  0  -0.346  -2.8527  -1.2378   0.7489
 3Q5  C3    C  CR16  0  -0.352  -4.4618  -0.0750  -0.6627
 3Q5  C4    C  CR16  0  -0.503  -1.0744   1.0721   0.2575
 3Q5  C5    C  CR56  0  -0.141  -4.8145  -2.3953   0.0521
 3Q5  C6    C  CR6   0   0.046  -3.2750  -0.0767   0.0273
 3Q5  C7    C  CR56  0   0.279  -5.2528  -1.2467  -0.6640
 3Q5  C8    C  CR6   0   0.282  -2.4321   1.1427   0.0162
 3Q5  C9    C  CR6   0   0.599  -0.3439   2.2821   0.2123
 3Q5  C10   C  CR5   0   0.511  -5.8273  -3.3405  -0.1619
 3Q5  C11   C  CR6   0   0.523  -2.2829   3.3759  -0.2900
 3Q5  C12   C  C     0   0.758   4.4291  -0.9772  -0.3244
 3Q5  C13   C  CH2   0  -0.445   3.8222   2.2619  -0.1337
 3Q5  C14   C  CH2   0  -0.433   2.9468   3.4290  -0.5691
 3Q5  C15   C  CH2   0  -0.311   1.7784   1.2154   0.8669
 3Q5  C16   C  CH1   0  -0.069   2.9885   0.9896  -0.0381
 3Q5  C17   C  CH1   0  -0.123   1.7173   3.6172   0.3207
 3Q5  C18   C  CH3   0  -0.663   2.0473   4.1863   1.6979
 3Q5  C19   C  CH3   0  -0.660   6.5778  -3.5388   1.0677
 3Q5  C20   C  CH3   0  -0.669   7.1253  -2.2248  -0.9792
 3Q5  C21   C  CH3   0  -0.673   5.1802  -3.8376  -0.9759
 3Q5  C22   C  CT    0   0.192   5.9996  -2.8446  -0.1596
 3Q5  N23   N  N     0  -0.516  -3.0535   2.2922  -0.2612
 3Q5  N24   N  N     0  -0.529  -0.9738   3.4247  -0.0585
 3Q5  N25   N  NR15  0  -0.476  -6.7234  -2.7207  -0.9360
 3Q5  N26   N  N     0  -0.353  -6.4203  -1.4494  -1.2667
 3Q5  N27   N  NT    0  -0.509   0.9937   2.3471   0.4193
 3Q5  N28   N  NH2   0  -0.845  -5.9845  -4.6000   0.3380
 3Q5  N29   N  NH2   0  -0.826  -2.8979   4.5581  -0.5362
 3Q5  N30   N  NH1   0  -0.667   3.7428  -0.1309   0.4749
 3Q5  O31   O  O     0  -0.518   4.3686  -0.9771  -1.5374
 3Q5  O32   O  O2    0  -0.506   5.1552  -1.8138   0.4172
 3Q5  H1    H  HCR6  0   0.252  -3.2734  -3.2397   1.3376
 3Q5  H2    H  HCR6  0   0.245  -1.9350  -1.2059   1.3204
 3Q5  H3    H  HCR6  0   0.249  -4.7836   0.8063  -1.2014
 3Q5  H4    H  HCR6  0   0.266  -0.6063   0.1194   0.4347
 3Q5  H13   H  HCH2  0   0.249   4.6405   2.1173  -0.8422
 3Q5  H13A  H  HCH2  0   0.223   4.2776   2.4644   0.8409
 3Q5  H14   H  HCH2  0   0.241   3.5247   4.3555  -0.5773
 3Q5  H14A  H  HCH2  0   0.234   2.6082   3.2629  -1.5961
 3Q5  H15   H  HCH2  0   0.280   1.1800   0.3106   0.8851
 3Q5  H15A  H  HCH2  0   0.242   2.1188   1.3804   1.8968
 3Q5  H16   H  HCH1  0   0.253   2.6206   0.7229  -1.0310
 3Q5  H17   H  HCH1  0   0.274   1.0518   4.3184  -0.1753
 3Q5  H18   H  HCH3  0   0.234   2.5162   5.1652   1.5902
 3Q5  H18A  H  HCH3  0   0.237   1.1376   4.3162   2.2850
 3Q5  H18B  H  HCH3  0   0.225   2.7306   3.5580   2.2707
 3Q5  H19   H  HCH3  0   0.237   7.1366  -2.8404   1.6923
 3Q5  H19A  H  HCH3  0   0.237   5.7940  -3.9939   1.6752
 3Q5  H19B  H  HCH3  0   0.230   7.2602  -4.3300   0.7581
 3Q5  H20   H  HCH3  0   0.245   6.7631  -1.7326  -1.8795
 3Q5  H20A  H  HCH3  0   0.234   7.6861  -1.5003  -0.3862
 3Q5  H20B  H  HCH3  0   0.233   7.8201  -3.0085  -1.2835
 3Q5  H21   H  HCH3  0   0.233   5.7912  -4.7150  -1.1915
 3Q5  H21A  H  HCH3  0   0.235   4.3079  -4.1763  -0.4146
 3Q5  H21B  H  HCH3  0   0.246   4.8462  -3.4224  -1.9235
 3Q5  HN28  H  HNH2  0   0.398  -5.1229  -5.0659   0.5754
 3Q5  HN2A  H  HNH2  0   0.396  -6.6027  -5.2102  -0.1746
 3Q5  HN29  H  HNH2  0   0.387  -3.8158   4.5291  -0.9459
 3Q5  HN2B  H  HNH2  0   0.387  -2.3221   5.3399  -0.7979
 3Q5  HN30  H  HNH1  0   0.393   3.9709  -0.1256   1.4578
 3Q5  HN25  H  HNR5  0   0.422  -7.5829  -3.1215  -1.2798

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
 3Q5  C2   C1    aromatic  1.366  0.020  1.366
 3Q5  C5   C1    aromatic  1.408  0.020  1.408
 3Q5  C1   H1    single    0.930  0.020  1.080
 3Q5  C6   C2    aromatic  1.431  0.020  1.431
 3Q5  C2   H2    single    0.930  0.020  1.080
 3Q5  C3   C6    aromatic  1.373  0.020  1.373
 3Q5  C3   C7    aromatic  1.414  0.020  1.414
 3Q5  C3   H3    single    0.930  0.020  1.080
 3Q5  C8   C4    aromatic  1.381  0.020  1.381
 3Q5  C9   C4    aromatic  1.414  0.020  1.414
 3Q5  C4   H4    single    0.930  0.020  1.080
 3Q5  C7   C5    aromatic  1.423  0.020  1.423
 3Q5  C5   C10   aromatic  1.402  0.020  1.402
 3Q5  C8   C6    single    1.482  0.020  1.482
 3Q5  N26  C7    aromatic  1.329  0.020  1.329
 3Q5  N23  C8    aromatic  1.336  0.020  1.336
 3Q5  N24  C9    aromatic  1.333  0.020  1.333
 3Q5  C9   N27   single    1.355  0.020  1.355
 3Q5  N25  C10   aromatic  1.336  0.020  1.336
 3Q5  C10  N28   single    1.364  0.020  1.364
 3Q5  N29  C11   single    1.355  0.020  1.355
 3Q5  C11  N23   aromatic  1.330  0.020  1.330
 3Q5  C11  N24   aromatic  1.330  0.020  1.330
 3Q5  O32  C12   single    1.333  0.020  1.333
 3Q5  N30  C12   single    1.351  0.020  1.351
 3Q5  C12  O31   double    1.215  0.020  1.215
 3Q5  C16  C13   single    1.524  0.020  1.524
 3Q5  C13  C14   single    1.522  0.020  1.522
 3Q5  C13  H13   single    0.970  0.020  1.090
 3Q5  C13  H13A  single    0.970  0.020  1.090
 3Q5  C17  C14   single    1.529  0.020  1.529
 3Q5  C14  H14   single    0.970  0.020  1.090
 3Q5  C14  H14A  single    0.970  0.020  1.090
 3Q5  C15  N27   single    1.448  0.020  1.448
 3Q5  C15  C16   single    1.528  0.020  1.528
 3Q5  C15  H15   single    0.970  0.020  1.090
 3Q5  C15  H15A  single    0.970  0.020  1.090
 3Q5  N30  C16   single    1.445  0.020  1.445
 3Q5  C16  H16   single    0.970  0.020  1.090
 3Q5  C18  C17   single    1.526  0.020  1.526
 3Q5  N27  C17   single    1.465  0.020  1.465
 3Q5  C17  H17   single    0.970  0.020  1.090
 3Q5  C18  H18   single    0.970  0.020  1.090
 3Q5  C18  H18A  single    0.970  0.020  1.090
 3Q5  C18  H18B  single    0.970  0.020  1.090
 3Q5  C22  C19   single    1.524  0.020  1.524
 3Q5  C19  H19   single    0.970  0.020  1.090
 3Q5  C19  H19A  single    0.970  0.020  1.090
 3Q5  C19  H19B  single    0.970  0.020  1.090
 3Q5  C20  C22   single    1.524  0.020  1.524
 3Q5  C20  H20   single    0.970  0.020  1.090
 3Q5  C20  H20A  single    0.970  0.020  1.090
 3Q5  C20  H20B  single    0.970  0.020  1.090
 3Q5  C21  C22   single    1.524  0.020  1.524
 3Q5  C21  H21   single    0.970  0.020  1.090
 3Q5  C21  H21A  single    0.970  0.020  1.090
 3Q5  C21  H21B  single    0.970  0.020  1.090
 3Q5  O32  C22   single    1.452  0.020  1.452
 3Q5  N26  N25   aromatic  1.348  0.020  1.348
 3Q5  N28  HN28  single    0.890  0.020  1.040
 3Q5  N28  HN2A  single    0.890  0.020  1.040
 3Q5  N29  HN29  single    0.890  0.020  1.040
 3Q5  N29  HN2B  single    0.890  0.020  1.040
 3Q5  N30  HN30  single    0.860  0.020  1.020
 3Q5  N25  HN25  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
 3Q5  H1    C1   C5    121.34  3.000
 3Q5  H1    C1   C2    120.29  3.000
 3Q5  C5    C1   C2    118.37  3.000
 3Q5  H2    C2   C6    119.54  3.000
 3Q5  H2    C2   C1    118.89  3.000
 3Q5  C6    C2   C1    121.54  3.000
 3Q5  H3    C3   C7    120.54  3.000
 3Q5  H3    C3   C6    120.56  3.000
 3Q5  C7    C3   C6    118.89  3.000
 3Q5  H4    C4   C9    122.55  3.000
 3Q5  H4    C4   C8    120.12  3.000
 3Q5  C9    C4   C8    117.30  3.000
 3Q5  C10   C5   C7    104.17  3.000
 3Q5  C10   C5   C1    135.02  3.000
 3Q5  C7    C5   C1    120.80  3.000
 3Q5  C8    C6   C3    119.13  3.000
 3Q5  C8    C6   C2    120.23  3.000
 3Q5  C3    C6   C2    120.64  3.000
 3Q5  N26   C7   C5    112.06  3.000
 3Q5  N26   C7   C3    128.19  3.000
 3Q5  C5    C7   C3    119.75  3.000
 3Q5  N23   C8   C6    116.42  3.000
 3Q5  N23   C8   C4    122.53  3.000
 3Q5  C6    C8   C4    121.04  3.000
 3Q5  N27   C9   N24   117.16  3.000
 3Q5  N27   C9   C4    123.10  3.000
 3Q5  N24   C9   C4    119.73  3.000
 3Q5  N28   C10  N25   124.27  3.000
 3Q5  N28   C10  C5    130.53  3.000
 3Q5  N25   C10  C5    105.08  3.000
 3Q5  N29   C11  N24   116.49  3.000
 3Q5  N24   C11  N23   126.60  3.000
 3Q5  N29   C11  N23   116.86  3.000
 3Q5  O32   C12  O31   125.65  3.000
 3Q5  O31   C12  N30   124.43  3.000
 3Q5  O32   C12  N30   109.91  3.000
 3Q5  H13A  C13  H13   106.88  3.000
 3Q5  H13A  C13  C16   109.03  3.000
 3Q5  H13   C13  C16   109.89  3.000
 3Q5  H13A  C13  C14   110.61  3.000
 3Q5  H13   C13  C14   110.29  3.000
 3Q5  C16   C13  C14   110.08  3.000
 3Q5  H14A  C14  H14   106.59  3.000
 3Q5  H14A  C14  C17   108.42  3.000
 3Q5  H14   C14  C17   108.99  3.000
 3Q5  H14A  C14  C13   109.27  3.000
 3Q5  H14   C14  C13   110.38  3.000
 3Q5  C17   C14  C13   112.97  3.000
 3Q5  H15A  C15  H15   106.31  3.000
 3Q5  H15A  C15  N27   109.93  3.000
 3Q5  H15   C15  N27   110.98  3.000
 3Q5  H15A  C15  C16   109.42  3.000
 3Q5  H15   C15  C16   108.88  3.000
 3Q5  N27   C15  C16   111.20  3.000
 3Q5  H16   C16  N30   108.02  3.000
 3Q5  H16   C16  C15   107.93  3.000
 3Q5  N30   C16  C15   108.53  3.000
 3Q5  H16   C16  C13   109.34  3.000
 3Q5  N30   C16  C13   112.59  3.000
 3Q5  C15   C16  C13   110.31  3.000
 3Q5  H17   C17  N27   106.72  3.000
 3Q5  H17   C17  C18   107.68  3.000
 3Q5  N27   C17  C18   111.67  3.000
 3Q5  H17   C17  C14   107.83  3.000
 3Q5  N27   C17  C14   109.24  3.000
 3Q5  C18   C17  C14   113.39  3.000
 3Q5  H18B  C18  H18A  107.97  3.000
 3Q5  H18B  C18  H18   107.43  3.000
 3Q5  H18A  C18  H18   107.75  3.000
 3Q5  H18B  C18  C17   113.24  3.000
 3Q5  H18A  C18  C17   110.48  3.000
 3Q5  H18   C18  C17   109.78  3.000
 3Q5  H19B  C19  H19A  107.77  3.000
 3Q5  H19B  C19  H19   107.86  3.000
 3Q5  H19A  C19  H19   108.43  3.000
 3Q5  H19B  C19  C22   109.85  3.000
 3Q5  H19A  C19  C22   111.46  3.000
 3Q5  H19   C19  C22   111.33  3.000
 3Q5  H20B  C20  H20A  107.53  3.000
 3Q5  H20B  C20  H20   107.83  3.000
 3Q5  H20A  C20  H20   108.68  3.000
 3Q5  H20B  C20  C22   109.17  3.000
 3Q5  H20A  C20  C22   110.93  3.000
 3Q5  H20   C20  C22   112.52  3.000
 3Q5  H21B  C21  H21A  108.73  3.000
 3Q5  H21B  C21  H21   107.88  3.000
 3Q5  H21A  C21  H21   107.44  3.000
 3Q5  H21B  C21  C22   112.53  3.000
 3Q5  H21A  C21  C22   110.89  3.000
 3Q5  H21   C21  C22   109.20  3.000
 3Q5  O32   C22  C21   111.26  3.000
 3Q5  O32   C22  C20   110.76  3.000
 3Q5  C21   C22  C20   111.96  3.000
 3Q5  O32   C22  C19   102.95  3.000
 3Q5  C21   C22  C19   109.78  3.000
 3Q5  C20   C22  C19   109.76  3.000
 3Q5  C11   N23  C8    115.86  3.000
 3Q5  C11   N24  C9    117.97  3.000
 3Q5  HN25  N25  N26   118.86  3.000
 3Q5  HN25  N25  C10   125.76  3.000
 3Q5  N26   N25  C10   115.38  3.000
 3Q5  N25   N26  C7    103.30  3.000
 3Q5  C17   N27  C15   115.51  3.000
 3Q5  C17   N27  C9    121.25  3.000
 3Q5  C15   N27  C9    123.00  3.000
 3Q5  HN2A  N28  HN28  111.35  3.000
 3Q5  HN2A  N28  C10   116.29  3.000
 3Q5  HN28  N28  C10   114.50  3.000
 3Q5  HN2B  N29  HN29  116.04  3.000
 3Q5  HN2B  N29  C11   117.76  3.000
 3Q5  HN29  N29  C11   117.58  3.000
 3Q5  HN30  N30  C16   117.37  3.000
 3Q5  HN30  N30  C12   117.69  3.000
 3Q5  C16   N30  C12   122.74  3.000
 3Q5  C22   O32  C12   122.77  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
 3Q5  CONST_01  C3    C6   C2   C1      0.00   0.0  0
 3Q5  CONST_02  C8    C6   C2   C1    180.00   0.0  0
 3Q5  CONST_03  C3    C7   C5   C1      0.00   0.0  0
 3Q5  CONST_04  N26   C7   C5   C1    180.00   0.0  0
 3Q5  CONST_05  N25   C10  C5   C1    180.00   0.0  0
 3Q5  CONST_06  C7    C5   C1   C2      0.00   0.0  0
 3Q5  CONST_07  C10   C5   C1   C2    180.00   0.0  0
 3Q5  CONST_08  C7    C3   C6   C2      0.00   0.0  0
 3Q5  CONST_13  C10   C5   C7   C3    180.00   0.0  0
 3Q5  CONST_14  N25   N26  C7   C3    180.00   0.0  0
 3Q5  CONST_15  C11   N23  C8   C4      0.00   0.0  0
 3Q5  CONST_16  C11   N24  C9   C4      0.00   0.0  0
 3Q5  CONST_17  C6    C2   C1   C5      0.00   0.0  0
 3Q5  CONST_18  C6    C3   C7   C5      0.00   0.0  0
 3Q5  CONST_19  N25   N26  C7   C5      0.00   0.0  0
 3Q5  CONST_20  N26   N25  C10  C5      0.00   0.0  0
 3Q5  CONST_21  N26   C7   C3   C6    180.00   0.0  0
 3Q5  CONST_22  C9    C4   C8   C6    180.00   0.0  0
 3Q5  CONST_23  C11   N23  C8   C6    180.00   0.0  0
 3Q5  CONST_24  C8    C6   C3   C7    180.00   0.0  0
 3Q5  CONST_25  N25   C10  C5   C7      0.00   0.0  0
 3Q5  CONST_26  C10   N25  N26  C7      0.00   0.0  0
 3Q5  CONST_27  N24   C9   C4   C8      0.00   0.0  0
 3Q5  CONST_28  N24   C11  N23  C8      0.00   0.0  0
 3Q5  CONST_29  N23   C8   C4   C9      0.00   0.0  0
 3Q5  CONST_30  N23   C11  N24  C9      0.00   0.0  0
 3Q5  CONST_31  N26   C7   C5   C10     0.00   0.0  0
 3Q5  CONST_32  N27   C9   C4   C8    180.00   0.0  0
 3Q5  CONST_33  N27   C9   N24  C11   180.00   0.0  0
 3Q5  CONST_34  N28   C10  C5   C1      0.00   0.0  0
 3Q5  CONST_35  N28   C10  C5   C7    180.00   0.0  0
 3Q5  CONST_36  N29   C11  N23  C8    180.00   0.0  0
 3Q5  CONST_37  N29   C11  N24  C9    180.00   0.0  0
 3Q5  CONST_38  N28   C10  N25  N26   180.00   0.0  0
 3Q5  CONST_39  H3    C3   C6   C2    180.00   0.0  0
 3Q5  CONST_40  H2    C2   C6   C3    180.00   0.0  0
 3Q5  CONST_41  HN25  N25  C10  C5    180.00   0.0  0
 3Q5  CONST_42  H1    C1   C2   C6    180.00   0.0  0
 3Q5  CONST_43  H4    C4   C8   C6      0.00   0.0  0
 3Q5  Var_01    C15   N27  C9   C4     -7.81  30.0  2
 3Q5  Var_02    C16   C15  N27  C9    128.55  30.0  1
 3Q5  Var_03    C17   C14  C13  C16    54.06  30.0  1
 3Q5  Var_04    O32   C12  N30  C16   172.64  30.0  2
 3Q5  Var_05    C19   C22  O32  C12  -178.67  30.0  3
 3Q5  Var_06    N30   C12  O32  C22   179.86  30.0  3
 3Q5  Var_07    H20   C20  C22  C19   178.86  30.0  3
 3Q5  Var_08    H21   C21  C22  C19   -53.30  30.0  3
 3Q5  Var_09    H19   C19  C22  C20    58.83  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
 3Q5  chir_01  C16  C13  C15  N30  positiv
 3Q5  chir_02  C17  N27  C14  C18  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
 3Q5  plan-1  C4    0.020
 3Q5  plan-1  C6    0.020
 3Q5  plan-1  C8    0.020
 3Q5  plan-1  C9    0.020
 3Q5  plan-1  C11   0.020
 3Q5  plan-1  N23   0.020
 3Q5  plan-1  N24   0.020
 3Q5  plan-1  N27   0.020
 3Q5  plan-1  N29   0.020
 3Q5  plan-1  H4    0.020
 3Q5  plan-2  C1    0.020
 3Q5  plan-2  C2    0.020
 3Q5  plan-2  C3    0.020
 3Q5  plan-2  C5    0.020
 3Q5  plan-2  C6    0.020
 3Q5  plan-2  C7    0.020
 3Q5  plan-2  C8    0.020
 3Q5  plan-2  C10   0.020
 3Q5  plan-2  N25   0.020
 3Q5  plan-2  N26   0.020
 3Q5  plan-2  N28   0.020
 3Q5  plan-2  H1    0.020
 3Q5  plan-2  H2    0.020
 3Q5  plan-2  H3    0.020
 3Q5  plan-2  HN25  0.020
 3Q5  plan-3  C10   0.020
 3Q5  plan-3  N28   0.020
 3Q5  plan-3  HN28  0.020
 3Q5  plan-3  HN2A  0.020
 3Q5  plan-4  C11   0.020
 3Q5  plan-4  N29   0.020
 3Q5  plan-4  HN29  0.020
 3Q5  plan-4  HN2B  0.020
 3Q5  plan-5  C12   0.020
 3Q5  plan-5  N30   0.020
 3Q5  plan-5  O31   0.020
 3Q5  plan-5  O32   0.020

