# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  9 11:37:06 2020
#   Inital geometry file: a 149 line input string
#   Ligand name: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@@H]1OCC2(CCN(CC2)C3=Nc4n[nH]c(c5ccnc(NC6CC6)c5Cl)c4C(=O)N3C)[C@@H]1N
#
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
 JEA  JEA  6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one  ligand  63  34  .  2022-09-22  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_JEA
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
 JEA  C1   C   CR56  0   0.392  -0.3946  -1.5192  -0.4355
 JEA  C2   C   CR56  0  -0.379   0.7471  -0.7166  -0.6037
 JEA  C3   C   CR6   0   0.533   0.6491   0.5262  -1.3064
 JEA  O1   O   O2    0  -0.503  -7.6255   0.5534  -0.1677
 JEA  O2   O   O     0  -0.453   1.5699   1.2715  -1.5822
 JEA  C11  C   CH1   0   0.065  -7.3986   0.2973   1.2148
 JEA  C12  C   CH1   0  -0.127  -5.9154   0.6811   1.4762
 JEA  C15  C   CR5   0   0.455   1.7950  -1.4709  -0.0990
 JEA  C16  C   CR6   0   0.216   3.2391  -1.2485  -0.0344
 JEA  C17  C   CR6   0  -0.268   3.7854  -0.1528   0.6038
 JEA  C18  C   CR6   0   0.608   5.1896   0.0194   0.6256
 JEA  C19  C   CR16  0  -0.047   5.4603  -1.9293  -0.5499
 JEA  C20  C   CR16  0  -0.423   4.1058  -2.1722  -0.6279
 JEA  C21  C   CH1   0  -0.078   7.1662   1.2407   1.3380
 JEA  C22  C   CH2   0  -0.515   7.7037   2.6344   1.3618
 JEA  C23  C   CH2   0  -0.480   7.9389   1.7600   0.1679
 JEA  C10  C   CH2   0  -0.138  -6.5201   1.2486  -0.7080
 JEA  C4   C   CR6   0   0.705  -1.7470   0.0138  -1.3739
 JEA  C5   C   CH2   0  -0.322  -4.0797  -0.4733  -1.7832
 JEA  C6   C   CH2   0  -0.446  -4.8165  -0.6040  -0.4555
 JEA  C7   C   CT    0  -0.117  -5.2990   0.7553   0.0643
 JEA  C8   C   CH2   0  -0.422  -4.1337   1.7392   0.0365
 JEA  C9   C   CH2   0  -0.353  -3.4212   1.8027  -1.3095
 JEA  N1   N   NR6   0  -0.574  -0.6552   0.7983  -1.7367
 JEA  N2   N   N     0  -0.499  -1.6473  -1.1268  -0.7658
 JEA  N3   N   NT    0  -0.489  -2.9786   0.4775  -1.7433
 JEA  N4   N   NH2   0  -0.794  -5.1532  -0.1108   2.4118
 JEA  N5   N   NR15  0  -0.480   1.2285  -2.6115   0.3082
 JEA  N6   N   N     0  -0.292  -0.0941  -2.6756   0.1329
 JEA  N7   N   N     0  -0.456   5.9904  -0.8727   0.0519
 JEA  N8   N   NH1   0  -0.679   5.7555   1.0930   1.2218
 JEA  CL1  CL  CL    0  -0.107   2.7847   0.9907   1.4230
 JEA  H1   H   HCH1  0   0.210  -8.0480   0.9532   1.8097
 JEA  H2   H   HCH1  0   0.244  -5.9107   1.7044   1.8668
 JEA  H9   H   HCR6  0   0.268   6.1614  -2.6237  -0.9989
 JEA  H10  H   HCR6  0   0.274   3.7253  -3.0403  -1.1470
 JEA  H11  H   HCH1  0   0.261   7.6668   0.5093   1.9669
 JEA  H12  H   HCH2  0   0.257   6.9965   3.4482   1.2607
 JEA  H13  H   HCH2  0   0.258   8.5315   2.8391   2.0278
 JEA  H14  H   HCH2  0   0.253   8.9314   1.3621   0.0018
 JEA  H15  H   HCH2  0   0.253   7.3839   1.9808  -0.7345
 JEA  H16  H   HCH2  0   0.228  -6.4846   1.0493  -1.7814
 JEA  H17  H   HCH2  0   0.201  -6.6321   2.3361  -0.5793
 JEA  H18  H   HCH2  0   0.262  -3.7050  -1.4420  -2.1060
 JEA  H19  H   HCH2  0   0.247  -4.7636  -0.1238  -2.5626
 JEA  H20  H   HCH2  0   0.241  -5.6510  -1.2972  -0.5948
 JEA  H21  H   HCH2  0   0.243  -4.1394  -1.0602   0.2696
 JEA  H22  H   HCH2  0   0.240  -4.4867   2.7440   0.2882
 JEA  H23  H   HCH2  0   0.239  -3.4130   1.4594   0.8116
 JEA  H24  H   HCH2  0   0.252  -4.0805   2.2102  -2.0811
 JEA  H25  H   HCH2  0   0.275  -2.5788   2.4855  -1.2320
 JEA  H26  H   HNH2  0   0.353  -5.4824   0.0516   3.3544
 JEA  H27  H   HNH2  0   0.350  -5.2699  -1.1005   2.2369
 JEA  H29  H   HNR5  0   0.433   1.7024  -3.3816   0.7573
 JEA  H30  H   HNH1  0   0.394   5.1778   1.6691   1.8110
 JEA  C14  C   CH3   0  -0.563  -0.7642   1.8483  -2.7475
 JEA  C13  C   CH3   0  -0.708  -7.7673  -1.1383   1.5330
 JEA  H3   H   HCH3  0   0.226  -7.1299  -1.8585   1.0167
 JEA  H4   H   HCH3  0   0.227  -7.6903  -1.3246   2.6047
 JEA  H5   H   HCH3  0   0.242  -8.8003  -1.3380   1.2456
 JEA  H6   H   HCH3  0   0.258  -0.7345   2.8434  -2.3070
 JEA  H7   H   HCH3  0   0.274   0.0649   1.7579  -3.4441
 JEA  H8   H   HCH3  0   0.275  -1.6895   1.7287  -3.3000

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
 JEA  C10  O1   single    1.413  0.020  1.413
 JEA  C10  C7   single    1.527  0.020  1.527
 JEA  C14  N1   single    1.461  0.020  1.461
 JEA  C5   N3   single    1.455  0.020  1.455
 JEA  C5   C6   single    1.524  0.020  1.524
 JEA  O1   C11  single    1.424  0.020  1.424
 JEA  C9   N3   single    1.463  0.020  1.463
 JEA  C9   C8   single    1.524  0.020  1.524
 JEA  N3   C4   single    1.367  0.020  1.367
 JEA  C6   C7   single    1.533  0.020  1.533
 JEA  C7   C8   single    1.525  0.020  1.525
 JEA  C7   C12  single    1.542  0.020  1.542
 JEA  N1   C4   single    1.392  0.020  1.392
 JEA  N1   C3   single    1.400  0.020  1.400
 JEA  C4   N2   double    1.296  0.020  1.296
 JEA  C11  C13  single    1.516  0.020  1.516
 JEA  C11  C12  single    1.554  0.020  1.554
 JEA  C12  N4   single    1.443  0.020  1.443
 JEA  O2   C3   double    1.216  0.020  1.216
 JEA  C3   C2   single    1.431  0.020  1.431
 JEA  N2   C1   single    1.354  0.020  1.354
 JEA  CL1  C17  single    1.726  0.020  1.726
 JEA  C2   C1   aromatic  1.406  0.020  1.406
 JEA  C2   C15  aromatic  1.386  0.020  1.386
 JEA  C1   N6   aromatic  1.323  0.020  1.323
 JEA  C22  C23  single    1.498  0.020  1.498
 JEA  C22  C21  single    1.494  0.020  1.494
 JEA  N8   C21  single    1.423  0.020  1.423
 JEA  N8   C18  single    1.352  0.020  1.352
 JEA  C17  C18  aromatic  1.415  0.020  1.415
 JEA  C17  C16  aromatic  1.381  0.020  1.381
 JEA  N6   N5   aromatic  1.336  0.020  1.336
 JEA  C15  C16  single    1.463  0.020  1.463
 JEA  C15  N5   aromatic  1.337  0.020  1.337
 JEA  C23  C21  single    1.495  0.020  1.495
 JEA  C18  N7   aromatic  1.329  0.020  1.329
 JEA  C16  C20  aromatic  1.399  0.020  1.399
 JEA  N7   C19  aromatic  1.327  0.020  1.327
 JEA  C20  C19  aromatic  1.378  0.020  1.378
 JEA  C11  H1   single    0.970  0.020  1.090
 JEA  C12  H2   single    0.970  0.020  1.090
 JEA  C13  H3   single    0.970  0.020  1.090
 JEA  C13  H4   single    0.970  0.020  1.090
 JEA  C13  H5   single    0.970  0.020  1.090
 JEA  C14  H6   single    0.970  0.020  1.090
 JEA  C14  H7   single    0.970  0.020  1.090
 JEA  C14  H8   single    0.970  0.020  1.090
 JEA  C19  H9   single    0.930  0.020  1.080
 JEA  C20  H10  single    0.930  0.020  1.080
 JEA  C21  H11  single    0.970  0.020  1.090
 JEA  C22  H12  single    0.970  0.020  1.090
 JEA  C22  H13  single    0.970  0.020  1.090
 JEA  C23  H14  single    0.970  0.020  1.090
 JEA  C23  H15  single    0.970  0.020  1.090
 JEA  C10  H16  single    0.970  0.020  1.090
 JEA  C10  H17  single    0.970  0.020  1.090
 JEA  C5   H18  single    0.970  0.020  1.090
 JEA  C5   H19  single    0.970  0.020  1.090
 JEA  C6   H20  single    0.970  0.020  1.090
 JEA  C6   H21  single    0.970  0.020  1.090
 JEA  C8   H22  single    0.970  0.020  1.090
 JEA  C8   H23  single    0.970  0.020  1.090
 JEA  C9   H24  single    0.970  0.020  1.090
 JEA  C9   H25  single    0.970  0.020  1.090
 JEA  N4   H26  single    0.890  0.020  1.040
 JEA  N4   H27  single    0.890  0.020  1.040
 JEA  N5   H29  single    0.860  0.020  1.020
 JEA  N8   H30  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
 JEA  N6   C1   N2   124.64  3.000
 JEA  N6   C1   C2   111.47  3.000
 JEA  N2   C1   C2   123.84  3.000
 JEA  C15  C2   C3   134.68  3.000
 JEA  C15  C2   C1   105.05  3.000
 JEA  C3   C2   C1   119.93  3.000
 JEA  N1   C3   O2   121.09  3.000
 JEA  O2   C3   C2   126.27  3.000
 JEA  N1   C3   C2   112.55  3.000
 JEA  C10  O1   C11  109.57  3.000
 JEA  H1   C11  C13  107.95  3.000
 JEA  H1   C11  C12  109.01  3.000
 JEA  C13  C11  C12  115.51  3.000
 JEA  H1   C11  O1   108.92  3.000
 JEA  C12  C11  O1   105.72  3.000
 JEA  C13  C11  O1   109.59  3.000
 JEA  H2   C12  N4   106.21  3.000
 JEA  H2   C12  C7   106.24  3.000
 JEA  N4   C12  C7   114.12  3.000
 JEA  H2   C12  C11  107.14  3.000
 JEA  N4   C12  C11  118.52  3.000
 JEA  C7   C12  C11  103.84  3.000
 JEA  N5   C15  C16  122.32  3.000
 JEA  N5   C15  C2   104.76  3.000
 JEA  C16  C15  C2   132.82  3.000
 JEA  C20  C16  C17  118.36  3.000
 JEA  C20  C16  C15  119.52  3.000
 JEA  C17  C16  C15  122.12  3.000
 JEA  CL1  C17  C18  119.17  3.000
 JEA  C18  C17  C16  119.76  3.000
 JEA  CL1  C17  C16  121.04  3.000
 JEA  N8   C18  N7   118.11  3.000
 JEA  N7   C18  C17  120.64  3.000
 JEA  N8   C18  C17  121.25  3.000
 JEA  H9   C19  N7   116.08  3.000
 JEA  H9   C19  C20  119.95  3.000
 JEA  N7   C19  C20  123.97  3.000
 JEA  H10  C20  C19  120.97  3.000
 JEA  H10  C20  C16  121.08  3.000
 JEA  C19  C20  C16  117.94  3.000
 JEA  H11  C21  N8   115.72  3.000
 JEA  H11  C21  C23  116.64  3.000
 JEA  N8   C21  C23  118.98  3.000
 JEA  H11  C21  C22  116.93  3.000
 JEA  C23  C21  C22   60.17  3.000
 JEA  N8   C21  C22  117.05  3.000
 JEA  H13  C22  H12  114.52  3.000
 JEA  H13  C22  C23  118.73  3.000
 JEA  H12  C22  C23  117.82  3.000
 JEA  H13  C22  C21  117.49  3.000
 JEA  H12  C22  C21  117.68  3.000
 JEA  C23  C22  C21   59.96  3.000
 JEA  H15  C23  H14  114.67  3.000
 JEA  H15  C23  C22  117.70  3.000
 JEA  H14  C23  C22  118.74  3.000
 JEA  H15  C23  C21  117.28  3.000
 JEA  H14  C23  C21  117.80  3.000
 JEA  C22  C23  C21   59.87  3.000
 JEA  H17  C10  H16  107.37  3.000
 JEA  H17  C10  C7   109.96  3.000
 JEA  H16  C10  C7   114.34  3.000
 JEA  H17  C10  O1   111.21  3.000
 JEA  H16  C10  O1   108.14  3.000
 JEA  C7   C10  O1   105.86  3.000
 JEA  N3   C4   N2   119.64  3.000
 JEA  N2   C4   N1   123.89  3.000
 JEA  N3   C4   N1   116.42  3.000
 JEA  H19  C5   H18  106.76  3.000
 JEA  H19  C5   N3   106.49  3.000
 JEA  H18  C5   N3   109.22  3.000
 JEA  H19  C5   C6   110.23  3.000
 JEA  H18  C5   C6   110.41  3.000
 JEA  N3   C5   C6   113.45  3.000
 JEA  H21  C6   H20  107.03  3.000
 JEA  H21  C6   C7   109.90  3.000
 JEA  H20  C6   C7   111.41  3.000
 JEA  H21  C6   C5   108.33  3.000
 JEA  H20  C6   C5   108.19  3.000
 JEA  C7   C6   C5   111.80  3.000
 JEA  C8   C7   C6   108.98  3.000
 JEA  C8   C7   C10  113.17  3.000
 JEA  C6   C7   C10  111.51  3.000
 JEA  C8   C7   C12  110.67  3.000
 JEA  C6   C7   C12  113.17  3.000
 JEA  C10  C7   C12   99.15  3.000
 JEA  H23  C8   H22  106.51  3.000
 JEA  H23  C8   C9   109.16  3.000
 JEA  H22  C8   C9   108.40  3.000
 JEA  H23  C8   C7   108.98  3.000
 JEA  H22  C8   C7   109.97  3.000
 JEA  C9   C8   C7   113.58  3.000
 JEA  H25  C9   H24  106.46  3.000
 JEA  H25  C9   N3   110.83  3.000
 JEA  H24  C9   N3   108.10  3.000
 JEA  H25  C9   C8   108.99  3.000
 JEA  H24  C9   C8   110.90  3.000
 JEA  N3   C9   C8   111.44  3.000
 JEA  C4   N1   C14  121.77  3.000
 JEA  C4   N1   C3   122.74  3.000
 JEA  C14  N1   C3   114.94  3.000
 JEA  C4   N2   C1   116.15  3.000
 JEA  C9   N3   C5   111.77  3.000
 JEA  C9   N3   C4   119.98  3.000
 JEA  C5   N3   C4   117.88  3.000
 JEA  H27  N4   H26  106.30  3.000
 JEA  H27  N4   C12  111.33  3.000
 JEA  H26  N4   C12  110.13  3.000
 JEA  H29  N5   N6   119.12  3.000
 JEA  H29  N5   C15  125.96  3.000
 JEA  N6   N5   C15  114.87  3.000
 JEA  N5   N6   C1   103.85  3.000
 JEA  C19  N7   C18  119.32  3.000
 JEA  H30  N8   C21  117.50  3.000
 JEA  H30  N8   C18  118.19  3.000
 JEA  C21  N8   C18  122.23  3.000
 JEA  H8   C14  H7   108.38  3.000
 JEA  H8   C14  H6   109.28  3.000
 JEA  H7   C14  H6   108.33  3.000
 JEA  H8   C14  N1   109.68  3.000
 JEA  H7   C14  N1   109.07  3.000
 JEA  H6   C14  N1   112.01  3.000
 JEA  H5   C13  H4   107.13  3.000
 JEA  H5   C13  H3   107.92  3.000
 JEA  H4   C13  H3   108.11  3.000
 JEA  H5   C13  C11  110.39  3.000
 JEA  H4   C13  C11  110.54  3.000
 JEA  H3   C13  C11  112.55  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
 JEA  CONST_01  C16  C15  C2   C1    180.00   0.0  0
 JEA  CONST_02  N5   C15  C2   C1      0.00   0.0  0
 JEA  CONST_03  C15  N5   N6   C1      0.00   0.0  0
 JEA  CONST_04  N5   N6   C1   C2      0.00   0.0  0
 JEA  CONST_07  N6   N5   C15  C2      0.00   0.0  0
 JEA  CONST_08  N6   C1   C2   C15     0.00   0.0  0
 JEA  CONST_09  C18  C17  C16  C15   180.00   0.0  0
 JEA  CONST_10  C19  C20  C16  C15   180.00   0.0  0
 JEA  CONST_11  N7   C18  C17  C16     0.00   0.0  0
 JEA  CONST_12  N6   N5   C15  C16   180.00   0.0  0
 JEA  CONST_13  N7   C19  C20  C16     0.00   0.0  0
 JEA  CONST_14  C19  N7   C18  C17     0.00   0.0  0
 JEA  CONST_16  C19  C20  C16  C17     0.00   0.0  0
 JEA  CONST_17  C20  C16  C17  C18     0.00   0.0  0
 JEA  CONST_18  C20  C19  N7   C18     0.00   0.0  0
 JEA  CONST_20  C16  C15  C2   C3      0.00   0.0  0
 JEA  CONST_21  N3   C4   N2   C1    180.00   0.0  0
 JEA  CONST_22  N1   C4   N2   C1      0.00   0.0  0
 JEA  CONST_23  C4   N1   C3   C2      0.00   0.0  0
 JEA  CONST_24  N3   C4   N1   C3    180.00   0.0  0
 JEA  CONST_25  N2   C4   N1   C3      0.00   0.0  0
 JEA  CONST_30  CL1  C17  C16  C15     0.00   0.0  0
 JEA  CONST_31  N8   C18  C17  C16   180.00   0.0  0
 JEA  CONST_32  N8   C18  N7   C19   180.00   0.0  0
 JEA  CONST_33  CL1  C17  C16  C20   180.00   0.0  0
 JEA  CONST_34  CL1  C17  C18  N7    180.00   0.0  0
 JEA  CONST_35  C21  N8   C18  C17   180.00   0.0  0
 JEA  CONST_36  N7   C18  N8   C21     0.00   0.0  0
 JEA  CONST_38  C4   N1   C3   O2    180.00   0.0  0
 JEA  CONST_41  H29  N5   N6   C1    180.00   0.0  0
 JEA  CONST_42  H10  C20  C16  C15     0.00   0.0  0
 JEA  CONST_43  H9   C19  C20  C16   180.00   0.0  0
 JEA  CONST_44  C14  N1   C3   O2      0.00   0.0  0
 JEA  CONST_45  H30  N8   C18  C17     0.00   0.0  0
 JEA  Var_01    C6   C7   C10  O1     79.66  30.0  3
 JEA  Var_02    C7   C10  O1   C11    32.07  30.0  1
 JEA  Var_03    C5   C6   C7   C12  -173.85  30.0  1
 JEA  Var_04    C9   C8   C7   C12   176.55  30.0  1
 JEA  Var_05    C6   C5   N3   C4     88.94  30.0  1
 JEA  Var_06    C8   C9   N3   C4    -88.98  30.0  1
 JEA  Var_07    N3   C5   C6   C7     54.21  30.0  1
 JEA  Var_08    N3   C9   C8   C7    -54.62  30.0  1
 JEA  Var_09    C22  C21  N8   C18   150.51  30.0  3
 JEA  Var_10    N8   C21  C23  C22   106.37  30.0  1
 JEA  Var_11    H14  C23  C22  C21  -107.27  30.0  1
 JEA  Var_12    H6   C14  N1   C3    -81.09  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
 JEA  chir_01  C11  O1   C13  C12  negativ
 JEA  chir_02  C12  N4   C7   C11  negativ
 JEA  chir_03  C21  C22  N8   C23  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
 JEA  plan-1  C15  0.020
 JEA  plan-1  C16  0.020
 JEA  plan-1  C17  0.020
 JEA  plan-1  C18  0.020
 JEA  plan-1  C19  0.020
 JEA  plan-1  C20  0.020
 JEA  plan-1  N7   0.020
 JEA  plan-1  N8   0.020
 JEA  plan-1  CL1  0.020
 JEA  plan-1  H9   0.020
 JEA  plan-1  H10  0.020
 JEA  plan-2  C18  0.020
 JEA  plan-2  C21  0.020
 JEA  plan-2  N8   0.020
 JEA  plan-2  H30  0.020
 JEA  plan-3  C1   0.020
 JEA  plan-3  C2   0.020
 JEA  plan-3  C3   0.020
 JEA  plan-3  O2   0.020
 JEA  plan-3  C15  0.020
 JEA  plan-3  C16  0.020
 JEA  plan-3  C4   0.020
 JEA  plan-3  C5   0.020
 JEA  plan-3  C9   0.020
 JEA  plan-3  N1   0.020
 JEA  plan-3  N2   0.020
 JEA  plan-3  N3   0.020
 JEA  plan-3  N5   0.020
 JEA  plan-3  N6   0.020
 JEA  plan-3  H29  0.020
 JEA  plan-3  C14  0.020

