# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Jul 30 17:45:05 2022
#   Inital geometry file: a 134 line input string
#   Ligand name: 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5
#
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
 FCC  FCC  "1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one"
  ligand  51  30  .  2022-09-15  2022-09-16
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_FCC
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
 FCC  C10  C  CR56  0   0.408  175.0992  175.2623  190.4387
 FCC  C13  C  CR6   0   0.190  175.4798  172.3435  188.6400
 FCC  C15  C  CR6   0   0.289  174.3553  174.0378  192.4826
 FCC  C17  C  CR16  0  -0.262  176.7148  176.9607  190.0976
 FCC  C20  C  CR16  0  -0.382  171.0055  175.7182  189.9689
 FCC  C21  C  CR16  0  -0.358  176.7765  172.8394  188.5413
 FCC  C22  C  CR16  0  -0.264  173.3339  174.4534  193.3257
 FCC  C24  C  CR16  0  -0.060  171.7068  178.2613  189.3842
 FCC  C26  C  CR16  0  -0.060  170.5218  176.8154  190.6655
 FCC  C28  C  CR16  0  -0.259  173.3990  174.1518  194.6787
 FCC  C05  C  CR5   0  -0.287  173.7617  174.2013  188.8180
 FCC  C06  C  CR56  0   0.095  174.8088  175.2432  189.0805
 FCC  C07  C  CH2   0  -0.484  172.4885  174.7633  188.1600
 FCC  C08  C  CH2   0  -0.472  174.3139  173.0234  187.9794
 FCC  C09  C  CR5   0   0.586  173.4581  173.6879  190.2285
 FCC  C11  C  CR16  0  -0.335  175.4724  176.0910  188.2204
 FCC  C12  C  CR6   0   0.212  171.9012  175.9169  188.9222
 FCC  C14  C  CR16  0  -0.306  176.0476  176.1097  190.9763
 FCC  C16  C  CR16  0  -0.261  176.4342  176.9577  188.7373
 FCC  C18  C  CR16  0  -0.361  172.2465  177.2321  188.6292
 FCC  C19  C  CR16  0  -0.367  175.2981  171.2042  189.4184
 FCC  C23  C  CR16  0  -0.261  175.4398  173.3269  192.9804
 FCC  C25  C  CR16  0  -0.061  176.3872  170.6413  190.0657
 FCC  C27  C  CR16  0  -0.061  177.7991  172.2038  189.2278
 FCC  C29  C  CR16  0  -0.257  175.5039  173.0374  194.3358
 FCC  C30  C  CR16  0  -0.246  174.4831  173.4464  195.1846
 FCC  N02  N  NR5   0  -0.688  174.2916  174.3309  191.0999
 FCC  N03  N  N     0  -0.411  170.8609  178.0694  190.3901
 FCC  N04  N  N     0  -0.412  177.6203  171.1271  189.9853
 FCC  O01  O  O     0  -0.437  172.6440  172.8441  190.5281
 FCC  H1   H  HCR6  0   0.260  177.4646  177.6363  190.4885
 FCC  H2   H  HCR6  0   0.268  170.6787  174.7244  190.2449
 FCC  H3   H  HCR6  0   0.266  176.9994  173.7107  187.9403
 FCC  H4   H  HCR6  0   0.262  172.4953  175.0104  192.9267
 FCC  H5   H  HCR6  0   0.262  171.9720  179.2892  189.1625
 FCC  H6   H  HCR6  0   0.263  169.8235  176.6708  191.4826
 FCC  H7   H  HCR6  0   0.266  172.6031  174.4719  195.3380
 FCC  H8   H  HCH2  0   0.275  171.7554  173.9581  188.0738
 FCC  H9   H  HCH2  0   0.275  172.7392  175.0762  187.1440
 FCC  H10  H  HCH2  0   0.277  174.6017  173.4094  186.9993
 FCC  H11  H  HCH2  0   0.273  173.5088  172.3027  187.8215
 FCC  H12  H  HCR6  0   0.258  175.2556  176.0843  187.1585
 FCC  H13  H  HCR6  0   0.269  176.2724  176.1188  192.0348
 FCC  H14  H  HCR6  0   0.256  176.9644  177.6302  188.0766
 FCC  H15  H  HCR6  0   0.261  172.9278  177.4602  187.8202
 FCC  H16  H  HCR6  0   0.265  174.3191  170.7565  189.5276
 FCC  H17  H  HCR6  0   0.264  176.2262  172.9991  192.3116
 FCC  H18  H  HCR6  0   0.263  176.2525  169.7563  190.6779
 FCC  H19  H  HCR6  0   0.262  178.8116  172.5863  189.1600
 FCC  H20  H  HCR6  0   0.266  176.3484  172.4860  194.7267
 FCC  H21  H  HCR6  0   0.265  174.5327  173.2150  196.2404

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
 FCC  C08  C13  single    1.503  0.020  1.503
 FCC  C08  C05  single    1.548  0.020  1.548
 FCC  C11  C16  aromatic  1.394  0.020  1.394
 FCC  C11  C06  aromatic  1.378  0.020  1.378
 FCC  C07  C12  single    1.502  0.020  1.502
 FCC  C07  C05  single    1.539  0.020  1.539
 FCC  C16  C17  aromatic  1.389  0.020  1.389
 FCC  C13  C21  aromatic  1.392  0.020  1.392
 FCC  C13  C19  aromatic  1.392  0.020  1.392
 FCC  C21  C27  aromatic  1.386  0.020  1.386
 FCC  C12  C18  aromatic  1.391  0.020  1.391
 FCC  C12  C20  aromatic  1.392  0.020  1.392
 FCC  C05  C06  single    1.500  0.020  1.500
 FCC  C05  C09  single    1.531  0.020  1.531
 FCC  C19  C25  aromatic  1.386  0.020  1.386
 FCC  C18  C24  aromatic  1.386  0.020  1.386
 FCC  C06  C10  aromatic  1.389  0.020  1.389
 FCC  C27  N04  aromatic  1.329  0.020  1.329
 FCC  C20  C26  aromatic  1.387  0.020  1.387
 FCC  C25  N04  aromatic  1.328  0.020  1.328
 FCC  C24  N03  aromatic  1.328  0.020  1.328
 FCC  C26  N03  aromatic  1.328  0.020  1.328
 FCC  C17  C14  aromatic  1.393  0.020  1.393
 FCC  C09  O01  double    1.210  0.020  1.210
 FCC  C09  N02  single    1.367  0.020  1.367
 FCC  C10  C14  aromatic  1.381  0.020  1.381
 FCC  C10  N02  single    1.399  0.020  1.399
 FCC  N02  C15  single    1.415  0.020  1.415
 FCC  C15  C22  aromatic  1.388  0.020  1.388
 FCC  C15  C23  aromatic  1.389  0.020  1.389
 FCC  C22  C28  aromatic  1.388  0.020  1.388
 FCC  C23  C29  aromatic  1.387  0.020  1.387
 FCC  C28  C30  aromatic  1.389  0.020  1.389
 FCC  C29  C30  aromatic  1.389  0.020  1.389
 FCC  C17  H1   single    0.930  0.020  1.080
 FCC  C20  H2   single    0.930  0.020  1.080
 FCC  C21  H3   single    0.930  0.020  1.080
 FCC  C22  H4   single    0.930  0.020  1.080
 FCC  C24  H5   single    0.930  0.020  1.080
 FCC  C26  H6   single    0.930  0.020  1.080
 FCC  C28  H7   single    0.930  0.020  1.080
 FCC  C07  H8   single    0.970  0.020  1.090
 FCC  C07  H9   single    0.970  0.020  1.090
 FCC  C08  H10  single    0.970  0.020  1.090
 FCC  C08  H11  single    0.970  0.020  1.090
 FCC  C11  H12  single    0.930  0.020  1.080
 FCC  C14  H13  single    0.930  0.020  1.080
 FCC  C16  H14  single    0.930  0.020  1.080
 FCC  C18  H15  single    0.930  0.020  1.080
 FCC  C19  H16  single    0.930  0.020  1.080
 FCC  C23  H17  single    0.930  0.020  1.080
 FCC  C25  H18  single    0.930  0.020  1.080
 FCC  C27  H19  single    0.930  0.020  1.080
 FCC  C29  H20  single    0.930  0.020  1.080
 FCC  C30  H21  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
 FCC  N02  C10  C14  128.40  3.000
 FCC  N02  C10  C06  109.41  3.000
 FCC  C14  C10  C06  122.19  3.000
 FCC  C19  C13  C08  120.99  3.000
 FCC  C19  C13  C21  116.94  3.000
 FCC  C08  C13  C21  122.03  3.000
 FCC  N02  C15  C23  119.43  3.000
 FCC  C23  C15  C22  120.67  3.000
 FCC  N02  C15  C22  119.89  3.000
 FCC  H1   C17  C16  119.67  3.000
 FCC  H1   C17  C14  119.02  3.000
 FCC  C16  C17  C14  121.30  3.000
 FCC  H2   C20  C12  121.15  3.000
 FCC  H2   C20  C26  119.55  3.000
 FCC  C12  C20  C26  119.29  3.000
 FCC  H3   C21  C27  119.50  3.000
 FCC  H3   C21  C13  121.23  3.000
 FCC  C27  C21  C13  119.26  3.000
 FCC  H4   C22  C28  120.49  3.000
 FCC  H4   C22  C15  120.01  3.000
 FCC  C28  C22  C15  119.51  3.000
 FCC  H5   C24  N03  116.58  3.000
 FCC  H5   C24  C18  119.82  3.000
 FCC  N03  C24  C18  123.60  3.000
 FCC  H6   C26  N03  116.52  3.000
 FCC  H6   C26  C20  119.84  3.000
 FCC  N03  C26  C20  123.64  3.000
 FCC  H7   C28  C30  120.17  3.000
 FCC  H7   C28  C22  119.69  3.000
 FCC  C30  C28  C22  120.14  3.000
 FCC  C09  C05  C08  108.34  3.000
 FCC  C09  C05  C07  110.62  3.000
 FCC  C08  C05  C07  109.96  3.000
 FCC  C09  C05  C06  102.12  3.000
 FCC  C07  C05  C06  113.48  3.000
 FCC  C08  C05  C06  111.98  3.000
 FCC  C11  C06  C05  130.86  3.000
 FCC  C05  C06  C10  109.06  3.000
 FCC  C11  C06  C10  120.08  3.000
 FCC  H9   C07  H8   106.97  3.000
 FCC  H9   C07  C12  109.98  3.000
 FCC  H8   C07  C12  110.10  3.000
 FCC  H9   C07  C05  108.20  3.000
 FCC  H8   C07  C05  108.64  3.000
 FCC  C12  C07  C05  112.76  3.000
 FCC  H11  C08  H10  107.33  3.000
 FCC  H11  C08  C05  108.51  3.000
 FCC  H10  C08  C05  108.14  3.000
 FCC  H11  C08  C13  109.69  3.000
 FCC  H10  C08  C13  110.49  3.000
 FCC  C05  C08  C13  112.52  3.000
 FCC  O01  C09  N02  125.49  3.000
 FCC  N02  C09  C05  107.98  3.000
 FCC  O01  C09  C05  126.52  3.000
 FCC  H12  C11  C16  120.34  3.000
 FCC  H12  C11  C06  120.76  3.000
 FCC  C16  C11  C06  118.90  3.000
 FCC  C18  C12  C07  121.47  3.000
 FCC  C18  C12  C20  116.95  3.000
 FCC  C07  C12  C20  121.57  3.000
 FCC  H13  C14  C17  120.81  3.000
 FCC  H13  C14  C10  121.92  3.000
 FCC  C17  C14  C10  117.27  3.000
 FCC  H14  C16  C11  119.88  3.000
 FCC  H14  C16  C17  119.86  3.000
 FCC  C11  C16  C17  120.26  3.000
 FCC  H15  C18  C12  120.88  3.000
 FCC  H15  C18  C24  119.74  3.000
 FCC  C12  C18  C24  119.39  3.000
 FCC  H16  C19  C25  119.71  3.000
 FCC  H16  C19  C13  120.89  3.000
 FCC  C25  C19  C13  119.40  3.000
 FCC  H17  C23  C29  120.43  3.000
 FCC  H17  C23  C15  120.04  3.000
 FCC  C29  C23  C15  119.53  3.000
 FCC  H18  C25  N04  116.62  3.000
 FCC  H18  C25  C19  119.83  3.000
 FCC  N04  C25  C19  123.55  3.000
 FCC  H19  C27  N04  116.56  3.000
 FCC  H19  C27  C21  119.75  3.000
 FCC  N04  C27  C21  123.70  3.000
 FCC  H20  C29  C30  120.20  3.000
 FCC  H20  C29  C23  119.70  3.000
 FCC  C30  C29  C23  120.11  3.000
 FCC  H21  C30  C29  119.98  3.000
 FCC  H21  C30  C28  119.98  3.000
 FCC  C29  C30  C28  120.04  3.000
 FCC  C09  N02  C15  123.58  3.000
 FCC  C15  N02  C10  125.02  3.000
 FCC  C09  N02  C10  111.35  3.000
 FCC  C26  N03  C24  117.13  3.000
 FCC  C27  N04  C25  117.13  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
 FCC  CONST_01  C16  C11  C06  C10     0.00   0.0  0
 FCC  CONST_02  C16  C17  C14  C10     0.00   0.0  0
 FCC  CONST_03  N04  C27  C21  C13     0.00   0.0  0
 FCC  CONST_04  N04  C25  C19  C13     0.00   0.0  0
 FCC  CONST_05  C30  C28  C22  C15     0.00   0.0  0
 FCC  CONST_06  C30  C29  C23  C15     0.00   0.0  0
 FCC  CONST_07  C06  C11  C16  C17     0.00   0.0  0
 FCC  CONST_08  C06  C10  C14  C17     0.00   0.0  0
 FCC  CONST_09  C24  C18  C12  C20     0.00   0.0  0
 FCC  CONST_10  C24  N03  C26  C20     0.00   0.0  0
 FCC  CONST_11  C25  C19  C13  C21     0.00   0.0  0
 FCC  CONST_12  C25  N04  C27  C21     0.00   0.0  0
 FCC  CONST_13  C29  C23  C15  C22     0.00   0.0  0
 FCC  CONST_14  C29  C30  C28  C22     0.00   0.0  0
 FCC  CONST_15  C18  C12  C20  C26     0.00   0.0  0
 FCC  CONST_16  C18  C24  N03  C26     0.00   0.0  0
 FCC  CONST_17  C23  C15  C22  C28     0.00   0.0  0
 FCC  CONST_18  C23  C29  C30  C28     0.00   0.0  0
 FCC  CONST_19  C14  C17  C16  C11     0.00   0.0  0
 FCC  CONST_20  C14  C10  C06  C11     0.00   0.0  0
 FCC  CONST_21  N03  C24  C18  C12     0.00   0.0  0
 FCC  CONST_22  N03  C26  C20  C12     0.00   0.0  0
 FCC  CONST_23  C27  C21  C13  C19     0.00   0.0  0
 FCC  CONST_24  C27  N04  C25  C19     0.00   0.0  0
 FCC  CONST_25  N02  C15  C22  C28   180.00   0.0  0
 FCC  CONST_26  N02  C15  C23  C29   180.00   0.0  0
 FCC  CONST_27  C05  C09  N02  C10     0.00   0.0  0
 FCC  CONST_28  C05  C09  N02  C15   180.00   0.0  0
 FCC  CONST_29  C07  C12  C18  C24   180.00   0.0  0
 FCC  CONST_30  C07  C12  C20  C26   180.00   0.0  0
 FCC  CONST_31  C27  C21  C13  C08   180.00   0.0  0
 FCC  CONST_32  C25  C19  C13  C08   180.00   0.0  0
 FCC  CONST_33  O01  C09  N02  C10   180.00   0.0  0
 FCC  CONST_34  O01  C09  N02  C15     0.00   0.0  0
 FCC  CONST_35  H12  C11  C06  C10   180.00   0.0  0
 FCC  CONST_36  H1   C17  C14  C10   180.00   0.0  0
 FCC  CONST_37  H19  C27  C21  C13   180.00   0.0  0
 FCC  CONST_38  H18  C25  C19  C13   180.00   0.0  0
 FCC  CONST_39  H7   C28  C22  C15   180.00   0.0  0
 FCC  CONST_40  H20  C29  C23  C15   180.00   0.0  0
 FCC  CONST_41  H12  C11  C16  C17   180.00   0.0  0
 FCC  CONST_42  H15  C18  C12  C20   180.00   0.0  0
 FCC  CONST_43  H16  C19  C13  C21   180.00   0.0  0
 FCC  CONST_44  H17  C23  C15  C22   180.00   0.0  0
 FCC  CONST_45  H21  C30  C28  C22   180.00   0.0  0
 FCC  CONST_46  H6   C26  N03  C24   180.00   0.0  0
 FCC  CONST_47  H5   C24  N03  C26   180.00   0.0  0
 FCC  CONST_48  H20  C29  C30  C28   180.00   0.0  0
 FCC  CONST_49  H12  C11  C06  C05     0.00   0.0  0
 FCC  CONST_50  H14  C16  C11  C06   180.00   0.0  0
 FCC  CONST_51  H13  C14  C10  C06   180.00   0.0  0
 FCC  CONST_52  H1   C17  C16  C11   180.00   0.0  0
 FCC  CONST_53  H5   C24  C18  C12   180.00   0.0  0
 FCC  CONST_54  H6   C26  C20  C12   180.00   0.0  0
 FCC  CONST_55  H14  C16  C17  C14   180.00   0.0  0
 FCC  CONST_56  H13  C14  C17  C16   180.00   0.0  0
 FCC  CONST_57  H2   C20  C12  C18   180.00   0.0  0
 FCC  CONST_58  H3   C21  C13  C19   180.00   0.0  0
 FCC  CONST_59  H4   C22  C15  C23   180.00   0.0  0
 FCC  CONST_60  H21  C30  C29  C23   180.00   0.0  0
 FCC  CONST_61  H19  C27  N04  C25   180.00   0.0  0
 FCC  CONST_62  H18  C25  N04  C27   180.00   0.0  0
 FCC  CONST_63  H7   C28  C30  C29   180.00   0.0  0
 FCC  CONST_64  H4   C22  C28  C30   180.00   0.0  0
 FCC  CONST_65  H17  C23  C29  C30   180.00   0.0  0
 FCC  CONST_66  H13  C14  C10  N02     0.00   0.0  0
 FCC  CONST_67  H4   C22  C15  N02     0.00   0.0  0
 FCC  CONST_68  H17  C23  C15  N02     0.00   0.0  0
 FCC  CONST_69  H15  C18  C24  N03   180.00   0.0  0
 FCC  CONST_70  H2   C20  C26  N03   180.00   0.0  0
 FCC  CONST_71  H3   C21  C27  N04   180.00   0.0  0
 FCC  CONST_72  H16  C19  C25  N04   180.00   0.0  0
 FCC  Var_01    C22  C15  N02  C10   108.61  30.0  2
 FCC  Var_02    C23  C15  N02  C10   -71.82  30.0  2
 FCC  Var_03    C09  N02  C15  C22   -74.22  30.0  2
 FCC  Var_04    C23  C15  N02  C09   105.35  30.0  2
 FCC  Var_05    C08  C05  C06  C10  -113.07  30.0  1
 FCC  Var_06    C07  C05  C06  C10   121.72  30.0  1
 FCC  Var_07    C06  C05  C08  C13    58.50  30.0  3
 FCC  Var_08    C09  C05  C08  C13   -53.36  30.0  3
 FCC  Var_09    C05  C07  C12  C20   -86.80  30.0  1
 FCC  Var_10    C05  C08  C13  C21   -82.40  30.0  2
 FCC  Var_11    C19  C13  C08  C05    95.52  30.0  2
 FCC  Var_12    C18  C12  C07  C05    92.03  30.0  2
 FCC  Var_13    C12  C07  C05  C06   -53.48  30.0  1
 FCC  Var_14    C11  C06  C05  C07   -59.34  30.0  1
 FCC  Var_15    N02  C09  C05  C07  -123.90  30.0  1
 FCC  Var_16    C11  C06  C05  C08    65.87  30.0  1
 FCC  Var_17    N02  C09  C05  C08   115.51  30.0  1
 FCC  Var_18    C12  C07  C05  C09    60.60  30.0  1
 FCC  Var_19    C07  C05  C08  C13  -174.36  30.0  3
 FCC  Var_20    O01  C09  C05  C07    57.38  30.0  1
 FCC  Var_21    C12  C07  C05  C08  -179.77  30.0  1
 FCC  Var_22    O01  C09  C05  C08   -63.21  30.0  1
 FCC  Var_23    H8   C07  C12  C20    34.71  30.0  1
 FCC  Var_24    H9   C07  C12  C20   152.34  30.0  1
 FCC  Var_25    H10  C08  C13  C21    38.57  30.0  2
 FCC  Var_26    H11  C08  C13  C21   156.70  30.0  2
 FCC  Var_27    H10  C08  C05  C06   -63.81  30.0  2
 FCC  Var_28    H11  C08  C05  C06  -179.92  30.0  2
 FCC  Var_29    H8   C07  C05  C06  -175.82  30.0  1
 FCC  Var_30    H9   C07  C05  C06    68.39  30.0  1
 FCC  Var_31    H10  C08  C05  C09  -175.68  30.0  2
 FCC  Var_32    H11  C08  C05  C09    68.21  30.0  2
 FCC  Var_33    H8   C07  C05  C09   -61.73  30.0  1
 FCC  Var_34    H9   C07  C05  C09  -177.52  30.0  1
 FCC  Var_35    H8   C07  C12  C18  -146.45  30.0  1
 FCC  Var_36    H9   C07  C12  C18   -28.83  30.0  1
 FCC  Var_37    H10  C08  C13  C19  -143.51  30.0  2
 FCC  Var_38    H11  C08  C13  C19   -25.38  30.0  2
 FCC  Var_39    H10  C08  C05  C07    63.32  30.0  2
 FCC  Var_40    H11  C08  C05  C07   -52.79  30.0  2
 FCC  Var_41    H8   C07  C05  C08    57.89  30.0  1
 FCC  Var_42    H9   C07  C05  C08   -57.90  30.0  1

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
 FCC  plan-1  C13  0.020
 FCC  plan-1  C21  0.020
 FCC  plan-1  C08  0.020
 FCC  plan-1  C19  0.020
 FCC  plan-1  C25  0.020
 FCC  plan-1  C27  0.020
 FCC  plan-1  N04  0.020
 FCC  plan-1  H3   0.020
 FCC  plan-1  H16  0.020
 FCC  plan-1  H18  0.020
 FCC  plan-1  H19  0.020
 FCC  plan-2  C15  0.020
 FCC  plan-2  C22  0.020
 FCC  plan-2  C28  0.020
 FCC  plan-2  C23  0.020
 FCC  plan-2  C29  0.020
 FCC  plan-2  C30  0.020
 FCC  plan-2  N02  0.020
 FCC  plan-2  H4   0.020
 FCC  plan-2  H7   0.020
 FCC  plan-2  H17  0.020
 FCC  plan-2  H20  0.020
 FCC  plan-2  H21  0.020
 FCC  plan-3  C20  0.020
 FCC  plan-3  C24  0.020
 FCC  plan-3  C26  0.020
 FCC  plan-3  C07  0.020
 FCC  plan-3  C12  0.020
 FCC  plan-3  C18  0.020
 FCC  plan-3  N03  0.020
 FCC  plan-3  H2   0.020
 FCC  plan-3  H5   0.020
 FCC  plan-3  H6   0.020
 FCC  plan-3  H15  0.020
 FCC  plan-4  C10  0.020
 FCC  plan-4  C15  0.020
 FCC  plan-4  C17  0.020
 FCC  plan-4  C05  0.020
 FCC  plan-4  C06  0.020
 FCC  plan-4  C09  0.020
 FCC  plan-4  C11  0.020
 FCC  plan-4  C14  0.020
 FCC  plan-4  C16  0.020
 FCC  plan-4  N02  0.020
 FCC  plan-4  O01  0.020
 FCC  plan-4  H1   0.020
 FCC  plan-4  H12  0.020
 FCC  plan-4  H13  0.020
 FCC  plan-4  H14  0.020

