# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr  4 05:52:36 2020
#   Inital geometry file: a 142 line input string
#   Ligand name: 1-{[5-(5-chlorothiophen-2-yl)isoxazol-3-yl]methyl}-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)c5sc(Cl)cc5
#
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
 IIA  IIA  1-{[5-(5-chlorothiophen-2-yl)isoxazol-3-yl]methyl}-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide  ligand  60  33  .  2021-08-11  2021-08-11  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_IIA
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
 IIA  C1    C   CR16  0  -0.275  -0.6867  -6.4102   0.0421
 IIA  C2    C   CR16  0  -0.312  -0.8415  -5.1434  -0.4822
 IIA  C3    C   CR56  0   0.375   0.0829  -4.1707  -0.0957
 IIA  C4    C   CR56  0   0.075   1.1380  -4.4602   0.7948
 IIA  C5    C   CR16  0  -0.342   1.2689  -5.7553   1.3135
 IIA  C6    C   CR16  0  -0.271   0.3579  -6.7167   0.9330
 IIA  N7    N   NR5   0  -0.581   0.1769  -2.8551  -0.4553
 IIA  C8    C   CR5   0   0.254   1.2565  -2.2993   0.1955
 IIA  C9    C   CR15  0  -0.433   1.8695  -3.2527   0.9632
 IIA  C10   C   C     0   0.513   1.5763  -0.8574   0.0993
 IIA  N11   N   NH1   0  -0.654   2.8544  -0.5463   0.3661
 IIA  C12   C   CH1   0  -0.071   3.3482   0.8153   0.4041
 IIA  C13   C   CH2   0  -0.429   3.8242   1.3052  -0.9562
 IIA  C14   C   CH2   0  -0.288   4.3881   2.7147  -0.8584
 IIA  N15   N   NT    0  -0.419   5.4808   2.8035   0.0996
 IIA  C16   C   CH2   0  -0.286   5.0252   2.3684   1.4118
 IIA  C17   C   CH2   0  -0.445   4.4903   0.9444   1.3977
 IIA  C27   C   CH1   0  -0.042   6.0716   4.1466   0.1401
 IIA  C28   C   CH3   0  -0.688   7.2282   4.2201   1.1364
 IIA  C32   C   CH3   0  -0.685   6.5831   4.5756  -1.2333
 IIA  C37   C   CH2   0  -0.400  -0.7183  -2.2019  -1.3747
 IIA  C38   C   CR5   0   0.274  -1.8458  -1.4905  -0.7017
 IIA  N41   N   N     0  -0.163  -2.1808  -1.7432   0.5272
 IIA  O42   O   O     0  -0.350  -3.2553  -0.9455   0.8003
 IIA  C43   C   CR5   0   0.496  -3.5600  -0.2184  -0.2785
 IIA  C44   C   CR15  0  -0.525  -2.6967  -0.5202  -1.2823
 IIA  C45   C   CR5   0  -0.297  -4.6699   0.6925  -0.1706
 IIA  S46   S   S2    0   0.310  -5.1162   1.6821  -1.5126
 IIA  C47   C   CR5   0  -0.247  -6.3942   2.3840  -0.6052
 IIA  C48   C   CR15  0  -0.116  -6.4780   1.8899   0.6592
 IIA  C49   C   CR15  0  -0.196  -5.4827   0.9150   0.9070
 IIA  CL50  CL  CL    0  -0.062  -7.3920   3.5689  -1.3129
 IIA  O56   O   O     0  -0.483   0.7170  -0.0259  -0.1674
 IIA  H1    H   HCR6  0   0.256  -1.3890  -7.1853  -0.2357
 IIA  H2    H   HCR6  0   0.265  -1.6569  -4.9248  -1.1596
 IIA  H5    H   HCR6  0   0.252   2.0736  -5.9936   1.9977
 IIA  H6    H   HCR6  0   0.252   0.4416  -7.7228   1.3227
 IIA  H9    H   HCR5  0   0.266   2.7329  -3.1021   1.5947
 IIA  H11   H   HNH1  0   0.403   3.5338  -1.2894   0.4183
 IIA  H12   H   HCH1  0   0.240   2.5247   1.4526   0.7381
 IIA  H131  H   HCH2  0   0.220   4.5978   0.6303  -1.3351
 IIA  H132  H   HCH2  0   0.241   3.0018   1.2962  -1.6746
 IIA  H141  H   HCH2  0   0.186   3.5739   3.4182  -0.6036
 IIA  H142  H   HCH2  0   0.246   4.7428   2.9981  -1.8481
 IIA  H161  H   HCH2  0   0.248   5.8529   2.4072   2.1174
 IIA  H162  H   HCH2  0   0.186   4.2410   3.0396   1.8074
 IIA  H171  H   HCH2  0   0.225   5.2978   0.2548   1.1299
 IIA  H172  H   HCH2  0   0.246   4.1563   0.6799   2.4034
 IIA  H27   H   HCH1  0   0.185   5.3069   4.8804   0.4555
 IIA  H281  H   HCH3  0   0.234   7.7517   5.1700   1.0265
 IIA  H282  H   HCH3  0   0.235   6.9064   4.1584   2.1749
 IIA  H283  H   HCH3  0   0.221   7.9471   3.4184   0.9543
 IIA  H321  H   HCH3  0   0.220   7.2689   3.8308  -1.6427
 IIA  H322  H   HCH3  0   0.235   5.7868   4.7403  -1.9575
 IIA  H323  H   HCH3  0   0.233   7.1245   5.5176  -1.1457
 IIA  H371  H   HCH2  0   0.302  -0.1727  -1.5064  -2.0085
 IIA  H372  H   HCH2  0   0.298  -1.1305  -2.9561  -2.0473
 IIA  H44   H   HCR5  0   0.290  -2.6535  -0.1183  -2.2811
 IIA  H48   H   HCR5  0   0.296  -7.2140   2.2066   1.3825
 IIA  H49   H   HCR5  0   0.285  -5.3800   0.4017   1.8521

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
 IIA  C1   C2    aromatic  1.380  0.020  1.380
 IIA  C1   C6    aromatic  1.407  0.020  1.407
 IIA  C1   H1    single    0.930  0.020  1.080
 IIA  C2   C3    aromatic  1.396  0.020  1.396
 IIA  C2   H2    single    0.930  0.020  1.080
 IIA  C3   C4    aromatic  1.411  0.020  1.411
 IIA  C3   N7    aromatic  1.367  0.020  1.367
 IIA  C4   C5    aromatic  1.401  0.020  1.401
 IIA  C4   C9    aromatic  1.422  0.020  1.422
 IIA  C5   C6    aromatic  1.378  0.020  1.378
 IIA  C5   H5    single    0.930  0.020  1.080
 IIA  C6   H6    single    0.930  0.020  1.080
 IIA  N7   C8    aromatic  1.378  0.020  1.378
 IIA  N7   C37   single    1.440  0.020  1.440
 IIA  C8   C9    aromatic  1.369  0.020  1.369
 IIA  C8   C10   single    1.480  0.020  1.480
 IIA  C9   H9    single    0.930  0.020  1.080
 IIA  C10  N11   single    1.342  0.020  1.342
 IIA  C10  O56   double    1.225  0.020  1.225
 IIA  N11  C12   single    1.449  0.020  1.449
 IIA  N11  H11   single    0.860  0.020  1.020
 IIA  C12  C13   single    1.522  0.020  1.522
 IIA  C12  C17   single    1.519  0.020  1.519
 IIA  C12  H12   single    0.970  0.020  1.090
 IIA  C13  C14   single    1.521  0.020  1.521
 IIA  C13  H131  single    0.970  0.020  1.090
 IIA  C13  H132  single    0.970  0.020  1.090
 IIA  C14  N15   single    1.456  0.020  1.456
 IIA  C14  H141  single    0.970  0.020  1.090
 IIA  C14  H142  single    0.970  0.020  1.090
 IIA  N15  C16   single    1.456  0.020  1.456
 IIA  N15  C27   single    1.468  0.020  1.468
 IIA  C16  C17   single    1.521  0.020  1.521
 IIA  C16  H161  single    0.970  0.020  1.090
 IIA  C16  H162  single    0.970  0.020  1.090
 IIA  C17  H171  single    0.970  0.020  1.090
 IIA  C17  H172  single    0.970  0.020  1.090
 IIA  C27  C28   single    1.528  0.020  1.528
 IIA  C27  C32   single    1.527  0.020  1.527
 IIA  C27  H27   single    0.970  0.020  1.090
 IIA  C28  H281  single    0.970  0.020  1.090
 IIA  C28  H282  single    0.970  0.020  1.090
 IIA  C28  H283  single    0.970  0.020  1.090
 IIA  C32  H321  single    0.970  0.020  1.090
 IIA  C32  H322  single    0.970  0.020  1.090
 IIA  C32  H323  single    0.970  0.020  1.090
 IIA  C37  C38   single    1.493  0.020  1.493
 IIA  C37  H371  single    0.970  0.020  1.090
 IIA  C37  H372  single    0.970  0.020  1.090
 IIA  C38  N41   aromatic  1.299  0.020  1.299
 IIA  C38  C44   aromatic  1.415  0.020  1.415
 IIA  N41  O42   aromatic  1.366  0.020  1.366
 IIA  O42  C43   aromatic  1.336  0.020  1.336
 IIA  C43  C44   aromatic  1.358  0.020  1.358
 IIA  C43  C45   single    1.440  0.020  1.440
 IIA  C44  H44   single    0.930  0.020  1.080
 IIA  C45  S46   aromatic  1.726  0.020  1.726
 IIA  C45  C49   aromatic  1.368  0.020  1.368
 IIA  S46  C47   aromatic  1.717  0.020  1.717
 IIA  C47  C48   aromatic  1.360  0.020  1.360
 IIA  C47  CL50  single    1.703  0.020  1.703
 IIA  C48  C49   aromatic  1.415  0.020  1.415
 IIA  C48  H48   single    0.930  0.020  1.080
 IIA  C49  H49   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
 IIA  H1    C1   C6    119.24  3.000
 IIA  H1    C1   C2    119.16  3.000
 IIA  C6    C1   C2    121.61  3.000
 IIA  H2    C2   C3    122.09  3.000
 IIA  H2    C2   C1    120.52  3.000
 IIA  C3    C2   C1    117.39  3.000
 IIA  N7    C3   C4    108.18  3.000
 IIA  N7    C3   C2    130.02  3.000
 IIA  C4    C3   C2    121.80  3.000
 IIA  C9    C4   C5    133.87  3.000
 IIA  C9    C4   C3    106.58  3.000
 IIA  C5    C4   C3    119.55  3.000
 IIA  H5    C5   C6    120.81  3.000
 IIA  H5    C5   C4    120.45  3.000
 IIA  C6    C5   C4    118.74  3.000
 IIA  H6    C6   C5    119.87  3.000
 IIA  H6    C6   C1    119.22  3.000
 IIA  C5    C6   C1    120.91  3.000
 IIA  C37   N7   C8    127.28  3.000
 IIA  C37   N7   C3    124.18  3.000
 IIA  C8    N7   C3    108.54  3.000
 IIA  C10   C8   C9    128.18  3.000
 IIA  C10   C8   N7    122.12  3.000
 IIA  C9    C8   N7    109.56  3.000
 IIA  H9    C9   C8    126.06  3.000
 IIA  H9    C9   C4    126.79  3.000
 IIA  C8    C9   C4    107.14  3.000
 IIA  O56   C10  N11   123.63  3.000
 IIA  O56   C10  C8    121.59  3.000
 IIA  N11   C10  C8    114.75  3.000
 IIA  H11   N11  C12   117.49  3.000
 IIA  H11   N11  C10   118.76  3.000
 IIA  C12   N11  C10   123.20  3.000
 IIA  H12   C12  C17   108.47  3.000
 IIA  H12   C12  C13   108.71  3.000
 IIA  C17   C12  C13   108.78  3.000
 IIA  H12   C12  N11   107.40  3.000
 IIA  C17   C12  N11   110.69  3.000
 IIA  C13   C12  N11   112.68  3.000
 IIA  H132  C13  H131  107.43  3.000
 IIA  H132  C13  C14   109.22  3.000
 IIA  H131  C13  C14   109.37  3.000
 IIA  H132  C13  C12   110.47  3.000
 IIA  H131  C13  C12   109.39  3.000
 IIA  C14   C13  C12   110.89  3.000
 IIA  H142  C14  H141  106.49  3.000
 IIA  H142  C14  N15   109.74  3.000
 IIA  H141  C14  N15   111.24  3.000
 IIA  H142  C14  C13   107.66  3.000
 IIA  H141  C14  C13   109.35  3.000
 IIA  N15   C14  C13   112.15  3.000
 IIA  C27   N15  C16   112.00  3.000
 IIA  C27   N15  C14   112.09  3.000
 IIA  C16   N15  C14   109.88  3.000
 IIA  H162  C16  H161  106.61  3.000
 IIA  H162  C16  C17   108.80  3.000
 IIA  H161  C16  C17   107.87  3.000
 IIA  H162  C16  N15   111.29  3.000
 IIA  H161  C16  N15   109.62  3.000
 IIA  C17   C16  N15   112.43  3.000
 IIA  H172  C17  H171  107.35  3.000
 IIA  H172  C17  C16   109.01  3.000
 IIA  H171  C17  C16   109.42  3.000
 IIA  H172  C17  C12   110.59  3.000
 IIA  H171  C17  C12   109.92  3.000
 IIA  C16   C17  C12   110.48  3.000
 IIA  H27   C27  C32   107.56  3.000
 IIA  H27   C27  C28   107.79  3.000
 IIA  C32   C27  C28   108.62  3.000
 IIA  H27   C27  N15   109.68  3.000
 IIA  C32   C27  N15   111.54  3.000
 IIA  C28   C27  N15   111.51  3.000
 IIA  H283  C28  H282  108.17  3.000
 IIA  H283  C28  H281  107.86  3.000
 IIA  H282  C28  H281  106.70  3.000
 IIA  H283  C28  C27   110.74  3.000
 IIA  H282  C28  C27   113.29  3.000
 IIA  H281  C28  C27   109.85  3.000
 IIA  H323  C32  H322  106.62  3.000
 IIA  H323  C32  H321  107.91  3.000
 IIA  H322  C32  H321  108.24  3.000
 IIA  H323  C32  C27   109.69  3.000
 IIA  H322  C32  C27   113.31  3.000
 IIA  H321  C32  C27   110.85  3.000
 IIA  H372  C37  H371  105.79  3.000
 IIA  H372  C37  C38   108.77  3.000
 IIA  H371  C37  C38   109.67  3.000
 IIA  H372  C37  N7    108.35  3.000
 IIA  H371  C37  N7    110.51  3.000
 IIA  C38   C37  N7    113.44  3.000
 IIA  C44   C38  N41   111.51  3.000
 IIA  C44   C38  C37   126.56  3.000
 IIA  N41   C38  C37   121.90  3.000
 IIA  O42   N41  C38   106.17  3.000
 IIA  C43   O42  N41   109.62  3.000
 IIA  C45   C43  C44   133.31  3.000
 IIA  C45   C43  O42   117.36  3.000
 IIA  C44   C43  O42   109.33  3.000
 IIA  H44   C44  C43   128.89  3.000
 IIA  H44   C44  C38   127.73  3.000
 IIA  C43   C44  C38   103.38  3.000
 IIA  C49   C45  S46   111.44  3.000
 IIA  C49   C45  C43   128.31  3.000
 IIA  S46   C45  C43   120.25  3.000
 IIA  C47   S46  C45    90.91  3.000
 IIA  CL50  C47  C48   127.09  3.000
 IIA  CL50  C47  S46   120.05  3.000
 IIA  C48   C47  S46   112.86  3.000
 IIA  H48   C48  C49   124.36  3.000
 IIA  H48   C48  C47   123.94  3.000
 IIA  C49   C48  C47   111.70  3.000
 IIA  H49   C49  C48   123.19  3.000
 IIA  H49   C49  C45   123.73  3.000
 IIA  C48   C49  C45   113.08  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
 IIA  CONST_01  C4    C3   C2   C1      0.00   0.0  0
 IIA  CONST_02  N7    C3   C2   C1    180.00   0.0  0
 IIA  CONST_03  C4    C5   C6   C1      0.00   0.0  0
 IIA  CONST_04  C5    C6   C1   C2      0.00   0.0  0
 IIA  CONST_05  C5    C4   C3   C2      0.00   0.0  0
 IIA  CONST_06  C9    C4   C3   C2    180.00   0.0  0
 IIA  CONST_07  C8    N7   C3   C2    180.00   0.0  0
 IIA  CONST_08  C6    C1   C2   C3      0.00   0.0  0
 IIA  CONST_09  C6    C5   C4   C3      0.00   0.0  0
 IIA  CONST_10  C8    C9   C4   C3      0.00   0.0  0
 IIA  CONST_11  C9    C8   N7   C3      0.00   0.0  0
 IIA  CONST_12  C8    N7   C3   C4      0.00   0.0  0
 IIA  CONST_13  N7    C8   C9   C4      0.00   0.0  0
 IIA  CONST_14  N7    C3   C4   C5    180.00   0.0  0
 IIA  CONST_15  C8    C9   C4   C5    180.00   0.0  0
 IIA  CONST_16  C9    C4   C5   C6    180.00   0.0  0
 IIA  CONST_17  C9    C4   C3   N7      0.00   0.0  0
 IIA  CONST_18  C43   O42  N41  C38     0.00   0.0  0
 IIA  CONST_19  O42   C43  C44  C38     0.00   0.0  0
 IIA  CONST_20  C45   C43  C44  C38   180.00   0.0  0
 IIA  CONST_21  C43   C44  C38  N41     0.00   0.0  0
 IIA  CONST_22  C44   C43  O42  N41     0.00   0.0  0
 IIA  CONST_23  C45   C43  O42  N41   180.00   0.0  0
 IIA  CONST_24  C44   C38  N41  O42     0.00   0.0  0
 IIA  CONST_25  S46   C45  C43  O42   180.00   0.0  0
 IIA  CONST_26  C49   C45  C43  O42     0.00   0.0  0
 IIA  CONST_27  C47   S46  C45  C43   180.00   0.0  0
 IIA  CONST_28  C48   C49  C45  C43   180.00   0.0  0
 IIA  CONST_29  S46   C45  C43  C44     0.00   0.0  0
 IIA  CONST_30  C49   C45  C43  C44   180.00   0.0  0
 IIA  CONST_31  C48   C47  S46  C45     0.00   0.0  0
 IIA  CONST_32  C47   C48  C49  C45     0.00   0.0  0
 IIA  CONST_33  C48   C49  C45  S46     0.00   0.0  0
 IIA  CONST_34  C49   C48  C47  S46     0.00   0.0  0
 IIA  CONST_35  C49   C45  S46  C47     0.00   0.0  0
 IIA  CONST_36  C37   N7   C3   C2      0.00   0.0  0
 IIA  CONST_37  C10   C8   N7   C3    180.00   0.0  0
 IIA  CONST_38  C37   N7   C3   C4    180.00   0.0  0
 IIA  CONST_39  C10   C8   C9   C4    180.00   0.0  0
 IIA  CONST_40  C37   N7   C8   C9    180.00   0.0  0
 IIA  CONST_41  O42   N41  C38  C37   180.00   0.0  0
 IIA  CONST_42  C43   C44  C38  C37   180.00   0.0  0
 IIA  CONST_43  CL50  C47  S46  C45   180.00   0.0  0
 IIA  CONST_44  CL50  C47  C48  C49   180.00   0.0  0
 IIA  CONST_45  H5    C5   C6   C1    180.00   0.0  0
 IIA  CONST_46  H6    C6   C1   C2    180.00   0.0  0
 IIA  CONST_47  H1    C1   C2   C3    180.00   0.0  0
 IIA  CONST_48  H9    C9   C4   C3    180.00   0.0  0
 IIA  CONST_49  H2    C2   C3   C4    180.00   0.0  0
 IIA  CONST_50  H44   C44  C38  N41   180.00   0.0  0
 IIA  CONST_51  H49   C49  C45  C43     0.00   0.0  0
 IIA  CONST_52  H48   C48  C49  C45   180.00   0.0  0
 IIA  CONST_53  C12   N11  C10  C8    180.00   0.0  0
 IIA  CONST_54  O56   C10  N11  C12     0.00   0.0  0
 IIA  CONST_55  H11   N11  C10  C8      0.00   0.0  0
 IIA  Var_01    N15   C14  C13  C12    57.25  30.0  1
 IIA  Var_02    N15   C16  C17  C12   -57.72  30.0  1
 IIA  Var_03    C16   N15  C14  C13   -57.87  30.0  1
 IIA  Var_04    C17   C16  N15  C14    58.30  30.0  1
 IIA  Var_05    C38   C37  N7   C3     94.87  30.0  2
 IIA  Var_06    N41   C38  C37  N7    -17.61  30.0  2
 IIA  Var_07    N11   C10  C8   N7   -157.58  30.0  2
 IIA  Var_08    C28   C27  N15  C14  -179.27  30.0  3
 IIA  Var_09    H281  C28  C27  N15   170.58  30.0  3
 IIA  Var_10    H321  C32  C27  N15   -53.90  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
 IIA  chir_01  C12  N11  C13  C17  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
 IIA  plan-1  C37   0.020
 IIA  plan-1  C38   0.020
 IIA  plan-1  N41   0.020
 IIA  plan-1  O42   0.020
 IIA  plan-1  C43   0.020
 IIA  plan-1  C44   0.020
 IIA  plan-1  C45   0.020
 IIA  plan-1  H44   0.020
 IIA  plan-2  C43   0.020
 IIA  plan-2  C45   0.020
 IIA  plan-2  S46   0.020
 IIA  plan-2  C47   0.020
 IIA  plan-2  C48   0.020
 IIA  plan-2  C49   0.020
 IIA  plan-2  CL50  0.020
 IIA  plan-2  H48   0.020
 IIA  plan-2  H49   0.020
 IIA  plan-3  C1    0.020
 IIA  plan-3  C2    0.020
 IIA  plan-3  C3    0.020
 IIA  plan-3  C4    0.020
 IIA  plan-3  C5    0.020
 IIA  plan-3  C6    0.020
 IIA  plan-3  N7    0.020
 IIA  plan-3  C8    0.020
 IIA  plan-3  C9    0.020
 IIA  plan-3  C10   0.020
 IIA  plan-3  C37   0.020
 IIA  plan-3  H1    0.020
 IIA  plan-3  H2    0.020
 IIA  plan-3  H5    0.020
 IIA  plan-3  H6    0.020
 IIA  plan-3  H9    0.020
 IIA  plan-4  C8    0.020
 IIA  plan-4  C10   0.020
 IIA  plan-4  N11   0.020
 IIA  plan-4  C12   0.020
 IIA  plan-4  O56   0.020
 IIA  plan-4  H11   0.020

