# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr  1 22:34:08 2020
#   Inital geometry file: a 141 line input string
#   Ligand name: 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methylnaphthalene-1-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12
#
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
 3ZC  3ZC  6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methylnaphthalene-1-carboxamide  ligand  58  33  .  2022-09-22  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_3ZC
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
 3ZC  C10  C  CR66  0   0.117   4.7939   0.2129   0.3055
 3ZC  C13  C  CR6   0   0.324   2.0098   0.1935   0.6130
 3ZC  C17  C  CR66  0  -0.008  -1.5280   0.5961   0.0433
 3ZC  C20  C  CR6   0   0.340  -4.2756   0.0582  -0.0482
 3ZC  C21  C  CR16  0  -0.455  -3.7720   1.1314  -0.7310
 3ZC  C22  C  CR66  0   0.206  -2.3880   1.4294  -0.7043
 3ZC  C24  C  CR16  0  -0.091  -0.6700   2.7633  -1.3762
 3ZC  C28  C  CT    0   0.106  -7.8261  -0.2537  -0.6539
 3ZC  C01  C  CH3   0  -0.516   8.7233  -1.5524  -1.9640
 3ZC  C03  C  C     0   0.477   6.9129  -0.2056  -1.0399
 3ZC  O04  O  O     0  -0.489   6.5985   0.2356  -2.1380
 3ZC  C05  C  CR6   0  -0.059   6.2154   0.2173   0.2166
 3ZC  C06  C  CR16  0  -0.286   6.9679   0.6715   1.2716
 3ZC  C07  C  CR16  0  -0.247   6.3596   1.1513   2.4465
 3ZC  C08  C  CR16  0  -0.315   4.9987   1.1595   2.5578
 3ZC  C09  C  CR66  0   0.115   4.1883   0.6854   1.5006
 3ZC  C11  C  CR16  0  -0.324   3.9485  -0.2812  -0.7197
 3ZC  C12  C  CR16  0  -0.284   2.5905  -0.2964  -0.5723
 3ZC  C14  C  CR16  0  -0.383   2.7795   0.6775   1.6275
 3ZC  O15  O  O2    0  -0.505   0.6476   0.1231   0.7756
 3ZC  C16  C  CR6   0   0.430  -0.1523   0.9219   0.0389
 3ZC  C18  C  CR16  0  -0.460  -2.0570  -0.5109   0.7508
 3ZC  C19  C  CR6   0   0.331  -3.3963  -0.7820   0.7119
 3ZC  N23  N  N     0  -0.450  -1.9520   2.5011  -1.4041
 3ZC  C25  C  CR16  0  -0.422   0.2843   2.0117  -0.6742
 3ZC  C27  C  CH2   0  -0.179  -6.4974   0.4256  -0.7971
 3ZC  C29  C  CH2   0  -0.509  -9.0330   0.6094  -0.8157
 3ZC  C30  C  CH2   0  -0.493  -8.6515   0.1089   0.5511
 3ZC  N31  N  NH2   0  -0.808  -7.8435  -1.5747  -1.2203
 3ZC  O32  O  O2    0  -0.457  -4.0005  -1.8019   1.3363
 3ZC  C33  C  CH3   0  -0.442  -3.1994  -2.6768   2.1067
 3ZC  H1   H  HCR6  0   0.286  -4.4093   1.7844  -1.3114
 3ZC  H2   H  HCR6  0   0.262  -0.3361   3.6284  -1.9393
 3ZC  H3   H  HCH3  0   0.243   9.1976  -0.7280  -2.4956
 3ZC  H4   H  HCH3  0   0.253   9.5016  -2.1945  -1.5626
 3ZC  H5   H  HCH3  0   0.240   8.1348  -2.1282  -2.6796
 3ZC  H6   H  HNH1  0   0.411   8.0713  -1.4682   0.0470
 3ZC  H7   H  HCR6  0   0.271   8.0481   0.6879   1.1991
 3ZC  H8   H  HCR6  0   0.268   6.9768   1.5150   3.2568
 3ZC  H9   H  HCR6  0   0.265   4.5233   1.5276   3.4582
 3ZC  H10  H  HCR6  0   0.264   4.3721  -0.6651  -1.6354
 3ZC  H11  H  HCR6  0   0.285   1.9633  -0.6947  -1.3599
 3ZC  H12  H  HCR6  0   0.275   2.3230   1.0466   2.5378
 3ZC  H13  H  HCR6  0   0.290  -1.3871  -1.1401   1.3188
 3ZC  H14  H  HCR6  0   0.287   1.3233   2.3086  -0.7034
 3ZC  H15  H  HCH2  0   0.236  -6.1849   0.4301  -1.8474
 3ZC  H16  H  HCH2  0   0.227  -6.5538   1.4635  -0.4518
 3ZC  H17  H  HCH2  0   0.257  -8.8969   1.6609  -1.0380
 3ZC  H18  H  HCH2  0   0.262  -9.9001   0.1700  -1.2946
 3ZC  H19  H  HCH2  0   0.255  -9.2616  -0.6702   0.9912
 3ZC  H20  H  HCH2  0   0.247  -8.2548   0.8216   1.2645
 3ZC  H21  H  HNH2  0   0.348  -7.4033  -2.2315  -0.5878
 3ZC  H22  H  HNH2  0   0.351  -8.7947  -1.8962  -1.3426
 3ZC  H24  H  HCH3  0   0.232  -2.4375  -3.1692   1.4970
 3ZC  H25  H  HCH3  0   0.232  -2.7080  -2.1549   2.9320
 3ZC  H26  H  HCH3  0   0.264  -3.8685  -3.4304   2.5137
 3ZC  O26  O  O2    0  -0.460  -5.5605  -0.3051  -0.0152
 3ZC  N02  N  NH1   0  -0.613   7.9155  -1.0751  -0.8660

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
 3ZC  C01  N02  single    1.444  0.020  1.444
 3ZC  N02  C03  single    1.338  0.020  1.338
 3ZC  O04  C03  double    1.224  0.020  1.224
 3ZC  C03  C05  single    1.498  0.020  1.498
 3ZC  C05  C06  aromatic  1.373  0.020  1.373
 3ZC  C05  C10  aromatic  1.424  0.020  1.424
 3ZC  C06  C07  aromatic  1.407  0.020  1.407
 3ZC  C11  C10  aromatic  1.418  0.020  1.418
 3ZC  C11  C12  aromatic  1.366  0.020  1.366
 3ZC  C10  C09  aromatic  1.421  0.020  1.421
 3ZC  C07  C08  aromatic  1.365  0.020  1.365
 3ZC  C12  C13  aromatic  1.408  0.020  1.408
 3ZC  C09  C08  aromatic  1.414  0.020  1.414
 3ZC  C09  C14  aromatic  1.414  0.020  1.414
 3ZC  C13  C14  aromatic  1.362  0.020  1.362
 3ZC  C13  O15  single    1.374  0.020  1.374
 3ZC  C25  C24  aromatic  1.403  0.020  1.403
 3ZC  C25  C16  aromatic  1.374  0.020  1.374
 3ZC  C24  N23  aromatic  1.309  0.020  1.309
 3ZC  O15  C16  single    1.349  0.020  1.349
 3ZC  C16  C17  aromatic  1.414  0.020  1.414
 3ZC  N23  C22  aromatic  1.352  0.020  1.352
 3ZC  C17  C22  aromatic  1.412  0.020  1.412
 3ZC  C17  C18  aromatic  1.416  0.020  1.416
 3ZC  C22  C21  aromatic  1.416  0.020  1.416
 3ZC  C18  C19  aromatic  1.367  0.020  1.367
 3ZC  C21  C20  aromatic  1.368  0.020  1.368
 3ZC  C19  C20  aromatic  1.434  0.020  1.434
 3ZC  C19  O32  single    1.340  0.020  1.340
 3ZC  C20  O26  single    1.336  0.020  1.336
 3ZC  C33  O32  single    1.414  0.020  1.414
 3ZC  O26  C27  single    1.422  0.020  1.422
 3ZC  C27  C28  single    1.499  0.020  1.499
 3ZC  C28  N31  single    1.437  0.020  1.437
 3ZC  C28  C29  single    1.493  0.020  1.493
 3ZC  C28  C30  single    1.505  0.020  1.505
 3ZC  C29  C30  single    1.505  0.020  1.505
 3ZC  C21  H1   single    0.930  0.020  1.080
 3ZC  C24  H2   single    0.930  0.020  1.080
 3ZC  C01  H3   single    0.970  0.020  1.090
 3ZC  C01  H4   single    0.970  0.020  1.090
 3ZC  C01  H5   single    0.970  0.020  1.090
 3ZC  N02  H6   single    0.860  0.020  1.020
 3ZC  C06  H7   single    0.930  0.020  1.080
 3ZC  C07  H8   single    0.930  0.020  1.080
 3ZC  C08  H9   single    0.930  0.020  1.080
 3ZC  C11  H10  single    0.930  0.020  1.080
 3ZC  C12  H11  single    0.930  0.020  1.080
 3ZC  C14  H12  single    0.930  0.020  1.080
 3ZC  C18  H13  single    0.930  0.020  1.080
 3ZC  C25  H14  single    0.930  0.020  1.080
 3ZC  C27  H15  single    0.970  0.020  1.090
 3ZC  C27  H16  single    0.970  0.020  1.090
 3ZC  C29  H17  single    0.970  0.020  1.090
 3ZC  C29  H18  single    0.970  0.020  1.090
 3ZC  C30  H19  single    0.970  0.020  1.090
 3ZC  C30  H20  single    0.970  0.020  1.090
 3ZC  N31  H21  single    0.890  0.020  1.040
 3ZC  N31  H22  single    0.890  0.020  1.040
 3ZC  C33  H24  single    0.970  0.020  1.090
 3ZC  C33  H25  single    0.970  0.020  1.090
 3ZC  C33  H26  single    0.970  0.020  1.090

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
 3ZC  C11  C10  C09  118.04  3.000
 3ZC  C09  C10  C05  118.48  3.000
 3ZC  C11  C10  C05  123.44  3.000
 3ZC  O15  C13  C14  119.36  3.000
 3ZC  O15  C13  C12  119.40  3.000
 3ZC  C14  C13  C12  121.16  3.000
 3ZC  C18  C17  C16  123.04  3.000
 3ZC  C18  C17  C22  119.89  3.000
 3ZC  C16  C17  C22  117.07  3.000
 3ZC  O26  C20  C19  114.66  3.000
 3ZC  O26  C20  C21  125.44  3.000
 3ZC  C19  C20  C21  119.90  3.000
 3ZC  H1   C21  C22  117.33  3.000
 3ZC  H1   C21  C20  121.64  3.000
 3ZC  C22  C21  C20  121.03  3.000
 3ZC  N23  C22  C21  118.18  3.000
 3ZC  C21  C22  C17  118.77  3.000
 3ZC  N23  C22  C17  123.06  3.000
 3ZC  H2   C24  C25  118.52  3.000
 3ZC  H2   C24  N23  116.75  3.000
 3ZC  C25  C24  N23  124.73  3.000
 3ZC  N31  C28  C30  122.02  3.000
 3ZC  C30  C28  C29   60.27  3.000
 3ZC  N31  C28  C29  118.61  3.000
 3ZC  C30  C28  C27  116.97  3.000
 3ZC  C29  C28  C27  116.38  3.000
 3ZC  N31  C28  C27  112.92  3.000
 3ZC  H5   C01  H4   108.48  3.000
 3ZC  H5   C01  H3   108.31  3.000
 3ZC  H4   C01  H3   108.41  3.000
 3ZC  H5   C01  N02  111.80  3.000
 3ZC  H4   C01  N02  108.38  3.000
 3ZC  H3   C01  N02  111.37  3.000
 3ZC  C05  C03  O04  122.06  3.000
 3ZC  C05  C03  N02  115.03  3.000
 3ZC  O04  C03  N02  122.89  3.000
 3ZC  C06  C05  C03  118.86  3.000
 3ZC  C06  C05  C10  120.00  3.000
 3ZC  C03  C05  C10  121.08  3.000
 3ZC  H7   C06  C07  118.81  3.000
 3ZC  H7   C06  C05  120.02  3.000
 3ZC  C07  C06  C05  121.15  3.000
 3ZC  H8   C07  C08  120.38  3.000
 3ZC  H8   C07  C06  119.56  3.000
 3ZC  C08  C07  C06  120.06  3.000
 3ZC  H9   C08  C09  118.96  3.000
 3ZC  H9   C08  C07  120.49  3.000
 3ZC  C09  C08  C07  120.55  3.000
 3ZC  C14  C09  C08  120.37  3.000
 3ZC  C14  C09  C10  119.88  3.000
 3ZC  C08  C09  C10  119.75  3.000
 3ZC  H10  C11  C12  118.53  3.000
 3ZC  H10  C11  C10  120.23  3.000
 3ZC  C12  C11  C10  121.24  3.000
 3ZC  H11  C12  C11  120.09  3.000
 3ZC  H11  C12  C13  120.10  3.000
 3ZC  C11  C12  C13  119.80  3.000
 3ZC  H12  C14  C09  119.56  3.000
 3ZC  H12  C14  C13  120.58  3.000
 3ZC  C09  C14  C13  119.86  3.000
 3ZC  C16  O15  C13  119.53  3.000
 3ZC  C25  C16  O15  124.38  3.000
 3ZC  O15  C16  C17  116.03  3.000
 3ZC  C25  C16  C17  119.59  3.000
 3ZC  H13  C18  C19  120.46  3.000
 3ZC  H13  C18  C17  119.09  3.000
 3ZC  C19  C18  C17  120.45  3.000
 3ZC  O32  C19  C18  125.42  3.000
 3ZC  O32  C19  C20  114.61  3.000
 3ZC  C18  C19  C20  119.97  3.000
 3ZC  C24  N23  C22  117.61  3.000
 3ZC  H14  C25  C16  122.51  3.000
 3ZC  H14  C25  C24  119.55  3.000
 3ZC  C16  C25  C24  117.94  3.000
 3ZC  H16  C27  H15  108.24  3.000
 3ZC  H16  C27  O26  110.33  3.000
 3ZC  H15  C27  O26  109.95  3.000
 3ZC  H16  C27  C28  110.71  3.000
 3ZC  H15  C27  C28  110.26  3.000
 3ZC  O26  C27  C28  107.37  3.000
 3ZC  H18  C29  H17  113.79  3.000
 3ZC  H18  C29  C30  118.00  3.000
 3ZC  H17  C29  C30  118.51  3.000
 3ZC  H18  C29  C28  117.42  3.000
 3ZC  H17  C29  C28  118.81  3.000
 3ZC  C30  C29  C28   60.27  3.000
 3ZC  H20  C30  H19  114.32  3.000
 3ZC  H20  C30  C29  118.17  3.000
 3ZC  H19  C30  C29  117.74  3.000
 3ZC  H20  C30  C28  119.00  3.000
 3ZC  H19  C30  C28  117.46  3.000
 3ZC  C29  C30  C28   59.46  3.000
 3ZC  H22  N31  H21  106.15  3.000
 3ZC  H22  N31  C28  110.56  3.000
 3ZC  H21  N31  C28  110.17  3.000
 3ZC  C33  O32  C19  117.98  3.000
 3ZC  H26  C33  H25  108.97  3.000
 3ZC  H26  C33  H24  109.00  3.000
 3ZC  H25  C33  H24  108.84  3.000
 3ZC  H26  C33  O32  106.51  3.000
 3ZC  H25  C33  O32  111.74  3.000
 3ZC  H24  C33  O32  111.69  3.000
 3ZC  C27  O26  C20  118.71  3.000
 3ZC  H6   N02  C03  119.19  3.000
 3ZC  H6   N02  C01  118.30  3.000
 3ZC  C03  N02  C01  122.33  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
 3ZC  CONST_01  C07  C06  C05  C10     0.00   0.0  0
 3ZC  CONST_02  C13  C12  C11  C10     0.00   0.0  0
 3ZC  CONST_03  C07  C08  C09  C10     0.00   0.0  0
 3ZC  CONST_04  C13  C14  C09  C10     0.00   0.0  0
 3ZC  CONST_05  C08  C09  C14  C13   180.00   0.0  0
 3ZC  CONST_06  C24  C25  C16  C17     0.00   0.0  0
 3ZC  CONST_07  C24  N23  C22  C17     0.00   0.0  0
 3ZC  CONST_08  C20  C21  C22  C17     0.00   0.0  0
 3ZC  CONST_09  C20  C19  C18  C17     0.00   0.0  0
 3ZC  CONST_10  N23  C22  C21  C20   180.00   0.0  0
 3ZC  CONST_11  C24  N23  C22  C21   180.00   0.0  0
 3ZC  CONST_12  C16  C17  C22  C21   180.00   0.0  0
 3ZC  CONST_13  C18  C17  C22  C21     0.00   0.0  0
 3ZC  CONST_14  C18  C19  C20  C21     0.00   0.0  0
 3ZC  CONST_15  C25  C24  N23  C22     0.00   0.0  0
 3ZC  CONST_16  C25  C16  C17  C22     0.00   0.0  0
 3ZC  CONST_17  C19  C18  C17  C22     0.00   0.0  0
 3ZC  CONST_18  C19  C20  C21  C22     0.00   0.0  0
 3ZC  CONST_19  C08  C07  C06  C05     0.00   0.0  0
 3ZC  CONST_20  C12  C11  C10  C05   180.00   0.0  0
 3ZC  CONST_21  C08  C09  C10  C05     0.00   0.0  0
 3ZC  CONST_22  C14  C09  C10  C05   180.00   0.0  0
 3ZC  CONST_23  C11  C10  C05  C06   180.00   0.0  0
 3ZC  CONST_24  C09  C10  C05  C06     0.00   0.0  0
 3ZC  CONST_25  C09  C08  C07  C06     0.00   0.0  0
 3ZC  CONST_26  C14  C09  C08  C07   180.00   0.0  0
 3ZC  CONST_27  C11  C10  C09  C08   180.00   0.0  0
 3ZC  CONST_28  C12  C11  C10  C09     0.00   0.0  0
 3ZC  CONST_29  C12  C13  C14  C09     0.00   0.0  0
 3ZC  CONST_30  C14  C09  C10  C11     0.00   0.0  0
 3ZC  CONST_31  C14  C13  C12  C11     0.00   0.0  0
 3ZC  CONST_32  N23  C24  C25  C16     0.00   0.0  0
 3ZC  CONST_33  N23  C22  C17  C16     0.00   0.0  0
 3ZC  CONST_34  C19  C18  C17  C16   180.00   0.0  0
 3ZC  CONST_35  C25  C16  C17  C18   180.00   0.0  0
 3ZC  CONST_36  N23  C22  C17  C18   180.00   0.0  0
 3ZC  CONST_37  O32  C19  C18  C17   180.00   0.0  0
 3ZC  CONST_38  O32  C19  C20  C21   180.00   0.0  0
 3ZC  CONST_39  O15  C16  C17  C22   180.00   0.0  0
 3ZC  CONST_40  O26  C20  C21  C22   180.00   0.0  0
 3ZC  CONST_41  O15  C16  C25  C24   180.00   0.0  0
 3ZC  CONST_42  C07  C06  C05  C03   180.00   0.0  0
 3ZC  CONST_43  C11  C10  C05  C03     0.00   0.0  0
 3ZC  CONST_44  C09  C10  C05  C03   180.00   0.0  0
 3ZC  CONST_45  O15  C13  C14  C09   180.00   0.0  0
 3ZC  CONST_46  O15  C13  C12  C11   180.00   0.0  0
 3ZC  CONST_47  C18  C17  C16  O15     0.00   0.0  0
 3ZC  CONST_48  O26  C20  C19  C18   180.00   0.0  0
 3ZC  CONST_49  H7   C06  C05  C10   180.00   0.0  0
 3ZC  CONST_50  H11  C12  C11  C10   180.00   0.0  0
 3ZC  CONST_51  H9   C08  C09  C10   180.00   0.0  0
 3ZC  CONST_52  H12  C14  C09  C10   180.00   0.0  0
 3ZC  CONST_53  H10  C11  C12  C13   180.00   0.0  0
 3ZC  CONST_54  H14  C25  C16  C17   180.00   0.0  0
 3ZC  CONST_55  H1   C21  C22  C17   180.00   0.0  0
 3ZC  CONST_56  H13  C18  C19  C20   180.00   0.0  0
 3ZC  CONST_57  H2   C24  N23  C22   180.00   0.0  0
 3ZC  CONST_58  H8   C07  C06  C05   180.00   0.0  0
 3ZC  CONST_59  C05  C03  N02  C01   180.00   0.0  0
 3ZC  CONST_60  H6   N02  C03  C05     0.00   0.0  0
 3ZC  CONST_61  O04  C03  N02  C01     0.00   0.0  0
 3ZC  Var_01    C25  C16  O15  C13   -14.36  30.0  2
 3ZC  Var_02    C30  C29  C28  C27  -107.44  30.0  1
 3ZC  Var_03    H19  C30  C29  C28  -107.13  30.0  1
 3ZC  Var_04    N02  C03  C05  C10  -131.98  30.0  2
 3ZC  Var_05    C28  C27  O26  C20   175.79  30.0  3
 3ZC  Var_06    C29  C28  C27  O26   152.25  30.0  3
 3ZC  Var_07    H21  N31  C28  C29  -139.79  30.0  3
 3ZC  Var_08    H24  C33  O32  C19   -60.44  30.0  3
 3ZC  Var_09    H3   C01  N02  C03    57.42  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
 3ZC  chir_01  C28  N31  C29  C30  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
 3ZC  plan-1  C17  0.020
 3ZC  plan-1  C20  0.020
 3ZC  plan-1  C21  0.020
 3ZC  plan-1  C22  0.020
 3ZC  plan-1  C24  0.020
 3ZC  plan-1  O15  0.020
 3ZC  plan-1  C16  0.020
 3ZC  plan-1  C18  0.020
 3ZC  plan-1  C19  0.020
 3ZC  plan-1  N23  0.020
 3ZC  plan-1  C25  0.020
 3ZC  plan-1  O32  0.020
 3ZC  plan-1  H1   0.020
 3ZC  plan-1  H2   0.020
 3ZC  plan-1  H13  0.020
 3ZC  plan-1  H14  0.020
 3ZC  plan-1  O26  0.020
 3ZC  plan-2  C10  0.020
 3ZC  plan-2  C13  0.020
 3ZC  plan-2  C03  0.020
 3ZC  plan-2  C05  0.020
 3ZC  plan-2  C06  0.020
 3ZC  plan-2  C07  0.020
 3ZC  plan-2  C08  0.020
 3ZC  plan-2  C09  0.020
 3ZC  plan-2  C11  0.020
 3ZC  plan-2  C12  0.020
 3ZC  plan-2  C14  0.020
 3ZC  plan-2  O15  0.020
 3ZC  plan-2  H7   0.020
 3ZC  plan-2  H8   0.020
 3ZC  plan-2  H9   0.020
 3ZC  plan-2  H10  0.020
 3ZC  plan-2  H11  0.020
 3ZC  plan-2  H12  0.020
 3ZC  plan-3  C01  0.020
 3ZC  plan-3  C03  0.020
 3ZC  plan-3  O04  0.020
 3ZC  plan-3  C05  0.020
 3ZC  plan-3  H6   0.020
 3ZC  plan-3  N02  0.020

