# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed May 13 10:02:14 2020
#   Inital geometry file: a 165 line input string
#   Ligand name: (2R,4S)-N~1~-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N~2~-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: O[C@@]1(C[C@@H](N(C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cn3)N4C=CC=CC4=O)c5ccc(F)cc5F
#
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
 L1C  L1C  (2R,4S)-N~1~-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N~2~-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide  ligand  62  40  .  2021-08-12  2021-08-12  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_L1C
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
 L1C  F2    F   F     0  -0.307    4.2629  -7.3024  -0.4842
 L1C  C14   C   CR6   0   0.536    3.6319  -6.1239  -0.4244
 L1C  C15   C   CR16  0  -0.545    4.0421  -5.2018   0.5177
 L1C  C16   C   CR6   0   0.540    3.3765  -3.9933   0.5601
 L1C  F1    F   F     0  -0.309    3.7814  -3.1146   1.4922
 L1C  C17   C   CR6   0  -0.109    2.3305  -3.6568  -0.2929
 L1C  C18   C   CR16  0  -0.287    1.9569  -4.6335  -1.2124
 L1C  C13   C   CR16  0  -0.406    2.5944  -5.8629  -1.2944
 L1C  C8    C   CT    0   0.162    1.5946  -2.3274  -0.2227
 L1C  O3    O   OH1   0  -0.647    0.5758  -2.2603  -1.1878
 L1C  C11   C   CH2   0  -0.302    2.5192  -1.0995  -0.3470
 L1C  N2    N   NT    0  -0.507    1.8644  -0.0874   0.4642
 L1C  C12   C   C     0   0.755    2.2237   1.2163   0.5794
 L1C  O2    O   O     0  -0.519    1.6172   1.9902   1.3055
 L1C  N3    N   NH1   0  -0.807    3.3206   1.5743  -0.1610
 L1C  C2    C   CR6   0   0.391    3.9225   2.8285  -0.2456
 L1C  C7    C   CR16  0  -0.315    3.7152   3.8752   0.6548
 L1C  C6    C   CR16  0  -0.202    4.3849   5.0793   0.4900
 L1C  C5    C   CR6   0  -0.061    5.2681   5.2513  -0.5611
 L1C  CL1   CL  CL    0  -0.138    6.0995   6.7616  -0.7552
 L1C  C4    C   CR16  0  -0.200    5.4934   4.2204  -1.4592
 L1C  C3    C   CR16  0  -0.361    4.8219   3.0225  -1.2983
 L1C  C10   C   CH1   0  -0.254    0.6864  -0.5702   1.1339
 L1C  C9    C   CH2   0  -0.461    0.8821  -2.0880   1.1098
 L1C  C1    C   C     0   0.577   -0.5833  -0.0877   0.4210
 L1C  O1    O   O     0  -0.423   -0.5592   0.6113  -0.5616
 L1C  N1    N   NH1   0  -0.736   -1.7166  -0.5113   1.0605
 L1C  C26   C   CR6   0   0.542   -3.0469  -0.2790   0.7449
 L1C  C27   C   CR16  0  -0.415   -4.0152  -0.7082   1.6640
 L1C  C28   C   CR16  0  -0.127   -5.3414  -0.4966   1.3691
 L1C  C29   C   CR6   0   0.188   -5.6658   0.1367   0.1740
 L1C  C30   C   CR16  0  -0.067   -4.6390   0.5264  -0.6621
 L1C  N6    N   N     0  -0.426   -3.3565   0.3163  -0.3916
 L1C  N4    N   NR6   0  -0.616   -7.0178   0.3712  -0.1994
 L1C  C24   C   CR16  0   0.047   -7.5320  -0.3052  -1.2656
 L1C  C23   C   CR16  0  -0.400   -8.8005  -0.0994  -1.6910
 L1C  C19   C   CR16  0  -0.118   -9.5921   0.8443  -0.9935
 L1C  C21   C   CR16  0  -0.454   -9.0892   1.5218   0.0704
 L1C  C20   C   CR6   0   0.552   -7.7429   1.3181   0.5325
 L1C  O4    O   O     0  -0.501   -7.2202   1.8963   1.4776
 L1C  H15   H   HCR6  0   0.305    4.8523  -5.4113   1.2041
 L1C  H13   H   HCR6  0   0.286    2.2808  -6.6007  -2.0204
 L1C  H18   H   HCR6  0   0.275    1.1374  -4.4412  -1.8895
 L1C  H3    H   HOH1  0   0.458    0.9549  -2.0927  -2.0581
 L1C  H111  H   HCH2  0   0.273    3.5298  -1.2932   0.0133
 L1C  H112  H   HCH2  0   0.268    2.6021  -0.8063  -1.3989
 L1C  H91C  H   HCH2  0   0.280   -0.0426  -2.6618   1.1692
 L1C  H92C  H   HCH2  0   0.284    1.5019  -2.3796   1.9550
 L1C  H10   H   HCH1  0   0.310    0.6456  -0.2129   2.1668
 L1C  HA    H   HNH1  0   0.429    3.6960   0.8970  -0.8055
 L1C  H7    H   HCR6  0   0.285    3.0406   3.7694   1.4873
 L1C  HB    H   HCR6  0   0.279    5.0008   2.2245  -2.0093
 L1C  H6    H   HCR6  0   0.279    4.2116   5.8800   1.1965
 L1C  H4    H   HCR6  0   0.281    6.1832   4.3433  -2.2830
 L1C  H1    H   HNH1  0   0.425   -1.5745  -1.0281   1.9156
 L1C  H27   H   HCR6  0   0.291   -3.7260  -1.1978   2.5848
 L1C  H28   H   HCR6  0   0.288   -6.1136  -0.8251   2.0514
 L1C  H30   H   HCR6  0   0.281   -4.8614   1.0285  -1.5984
 L1C  H24   H   HCR6  0   0.314   -6.8662  -1.0137  -1.7366
 L1C  H23   H   HCR6  0   0.281   -9.1840  -0.6503  -2.5359
 L1C  H19   H   HCR6  0   0.282  -10.6106   1.0260  -1.3121
 L1C  H21   H   HCR6  0   0.277   -9.6867   2.2469   0.6059

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
 L1C  F2   C14   single    1.338  0.020  1.338
 L1C  C14  C15   aromatic  1.381  0.020  1.381
 L1C  C14  C13   aromatic  1.379  0.020  1.379
 L1C  C15  C16   aromatic  1.380  0.020  1.380
 L1C  C16  F1    single    1.343  0.020  1.343
 L1C  C16  C17   aromatic  1.391  0.020  1.391
 L1C  C17  C18   aromatic  1.393  0.020  1.393
 L1C  C17  C8    single    1.521  0.020  1.521
 L1C  C18  C13   aromatic  1.387  0.020  1.387
 L1C  C8   O3    single    1.405  0.020  1.405
 L1C  C8   C11   single    1.542  0.020  1.542
 L1C  C8   C9    single    1.530  0.020  1.530
 L1C  C11  N2    single    1.453  0.020  1.453
 L1C  N2   C12   single    1.357  0.020  1.357
 L1C  N2   C10   single    1.438  0.020  1.438
 L1C  C12  O2    double    1.222  0.020  1.222
 L1C  C12  N3    single    1.371  0.020  1.371
 L1C  N3   C2    single    1.394  0.020  1.394
 L1C  C2   C7    aromatic  1.396  0.020  1.396
 L1C  C2   C3    aromatic  1.398  0.020  1.398
 L1C  C7   C6    aromatic  1.388  0.020  1.388
 L1C  C6   C5    aromatic  1.384  0.020  1.384
 L1C  C5   CL1   single    1.735  0.020  1.735
 L1C  C5   C4    aromatic  1.386  0.020  1.386
 L1C  C4   C3    aromatic  1.383  0.020  1.383
 L1C  C10  C9    single    1.531  0.020  1.531
 L1C  C10  C1    single    1.534  0.020  1.534
 L1C  C1   O1    double    1.206  0.020  1.206
 L1C  C1   N1    single    1.369  0.020  1.369
 L1C  N1   C26   single    1.387  0.020  1.387
 L1C  C26  C27   aromatic  1.402  0.020  1.402
 L1C  C26  N6    aromatic  1.320  0.020  1.320
 L1C  C27  C28   aromatic  1.375  0.020  1.375
 L1C  C28  C29   aromatic  1.391  0.020  1.391
 L1C  C29  C30   aromatic  1.380  0.020  1.380
 L1C  C29  N4    single    1.422  0.020  1.422
 L1C  C30  N6    aromatic  1.327  0.020  1.327
 L1C  N4   C24   single    1.363  0.020  1.363
 L1C  N4   C20   single    1.399  0.020  1.399
 L1C  C24  C23   double    1.354  0.020  1.354
 L1C  C23  C19   single    1.416  0.020  1.416
 L1C  C19  C21   double    1.358  0.020  1.358
 L1C  C21  C20   single    1.438  0.020  1.438
 L1C  C20  O4    double    1.225  0.020  1.225
 L1C  C15  H15   single    0.930  0.020  1.080
 L1C  C13  H13   single    0.930  0.020  1.080
 L1C  C18  H18   single    0.930  0.020  1.080
 L1C  O3   H3    single    0.850  0.020  0.980
 L1C  C11  H111  single    0.970  0.020  1.090
 L1C  C11  H112  single    0.970  0.020  1.090
 L1C  C9   H91C  single    0.970  0.020  1.090
 L1C  C9   H92C  single    0.970  0.020  1.090
 L1C  C10  H10   single    0.970  0.020  1.090
 L1C  N3   HA    single    0.860  0.020  1.020
 L1C  C7   H7    single    0.930  0.020  1.080
 L1C  C3   HB    single    0.930  0.020  1.080
 L1C  C6   H6    single    0.930  0.020  1.080
 L1C  C4   H4    single    0.930  0.020  1.080
 L1C  N1   H1    single    0.860  0.020  1.020
 L1C  C27  H27   single    0.930  0.020  1.080
 L1C  C28  H28   single    0.930  0.020  1.080
 L1C  C30  H30   single    0.930  0.020  1.080
 L1C  C24  H24   single    0.930  0.020  1.080
 L1C  C23  H23   single    0.930  0.020  1.080
 L1C  C19  H19   single    0.930  0.020  1.080
 L1C  C21  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
 L1C  C13   C14  C15   121.85  3.000
 L1C  C13   C14  F2    119.56  3.000
 L1C  C15   C14  F2    118.59  3.000
 L1C  H15   C15  C16   120.72  3.000
 L1C  H15   C15  C14   121.73  3.000
 L1C  C16   C15  C14   117.54  3.000
 L1C  C17   C16  F1    119.59  3.000
 L1C  C17   C16  C15   123.75  3.000
 L1C  F1    C16  C15   116.66  3.000
 L1C  C8    C17  C18   120.91  3.000
 L1C  C8    C17  C16   123.16  3.000
 L1C  C18   C17  C16   115.91  3.000
 L1C  H18   C18  C13   117.99  3.000
 L1C  H18   C18  C17   119.51  3.000
 L1C  C13   C18  C17   122.50  3.000
 L1C  H13   C13  C18   120.73  3.000
 L1C  H13   C13  C14   120.84  3.000
 L1C  C18   C13  C14   118.44  3.000
 L1C  C9    C8   C11   102.99  3.000
 L1C  C9    C8   O3    104.67  3.000
 L1C  C11   C8   O3    109.96  3.000
 L1C  C9    C8   C17   113.72  3.000
 L1C  C11   C8   C17   113.71  3.000
 L1C  O3    C8   C17   111.16  3.000
 L1C  H3    O3   C8    110.08  3.000
 L1C  H112  C11  H111  107.15  3.000
 L1C  H112  C11  N2    112.58  3.000
 L1C  H111  C11  N2    110.92  3.000
 L1C  H112  C11  C8    109.63  3.000
 L1C  H111  C11  C8    112.81  3.000
 L1C  N2    C11  C8    103.85  3.000
 L1C  C10   N2   C12   119.98  3.000
 L1C  C10   N2   C11   113.28  3.000
 L1C  C12   N2   C11   126.66  3.000
 L1C  N3    C12  O2    123.54  3.000
 L1C  N3    C12  N2    114.64  3.000
 L1C  O2    C12  N2    121.81  3.000
 L1C  HA    N3   C2    113.91  3.000
 L1C  HA    N3   C12   117.91  3.000
 L1C  C2    N3   C12   127.83  3.000
 L1C  C3    C2   C7    118.49  3.000
 L1C  C3    C2   N3    116.64  3.000
 L1C  C7    C2   N3    124.85  3.000
 L1C  H7    C7   C6    118.65  3.000
 L1C  H7    C7   C2    121.20  3.000
 L1C  C6    C7   C2    120.15  3.000
 L1C  H6    C6   C5    120.42  3.000
 L1C  H6    C6   C7    119.17  3.000
 L1C  C5    C6   C7    120.41  3.000
 L1C  C4    C5   CL1   119.82  3.000
 L1C  C4    C5   C6    120.24  3.000
 L1C  CL1   C5   C6    119.94  3.000
 L1C  H4    C4   C3    119.80  3.000
 L1C  H4    C4   C5    120.85  3.000
 L1C  C3    C4   C5    119.35  3.000
 L1C  HB    C3   C4    118.78  3.000
 L1C  HB    C3   C2    119.86  3.000
 L1C  C4    C3   C2    121.35  3.000
 L1C  H10   C10  C1    107.77  3.000
 L1C  H10   C10  C9    110.09  3.000
 L1C  C1    C10  C9    114.23  3.000
 L1C  H10   C10  N2    111.14  3.000
 L1C  C1    C10  N2    110.85  3.000
 L1C  C9    C10  N2    102.75  3.000
 L1C  H92C  C9   H91C  107.45  3.000
 L1C  H92C  C9   C10   109.06  3.000
 L1C  H91C  C9   C10   114.38  3.000
 L1C  H92C  C9   C8    111.68  3.000
 L1C  H91C  C9   C8    111.11  3.000
 L1C  C10   C9   C8    103.20  3.000
 L1C  N1    C1   O1    125.21  3.000
 L1C  N1    C1   C10   111.77  3.000
 L1C  O1    C1   C10   122.98  3.000
 L1C  H1    N1   C26   114.44  3.000
 L1C  H1    N1   C1    115.96  3.000
 L1C  C26   N1   C1    129.51  3.000
 L1C  N6    C26  C27   122.71  3.000
 L1C  N6    C26  N1    119.77  3.000
 L1C  C27   C26  N1    117.51  3.000
 L1C  H27   C27  C28   120.66  3.000
 L1C  H27   C27  C26   120.77  3.000
 L1C  C28   C27  C26   118.57  3.000
 L1C  H28   C28  C29   120.92  3.000
 L1C  H28   C28  C27   120.44  3.000
 L1C  C29   C28  C27   118.64  3.000
 L1C  N4    C29  C30   120.11  3.000
 L1C  N4    C29  C28   121.50  3.000
 L1C  C30   C29  C28   118.39  3.000
 L1C  H30   C30  N6    116.55  3.000
 L1C  H30   C30  C29   120.05  3.000
 L1C  N6    C30  C29   123.41  3.000
 L1C  C30   N6   C26   118.26  3.000
 L1C  C20   N4   C24   123.32  3.000
 L1C  C20   N4   C29   117.83  3.000
 L1C  C24   N4   C29   118.83  3.000
 L1C  H24   C24  C23   122.70  3.000
 L1C  H24   C24  N4    115.71  3.000
 L1C  C23   C24  N4    121.59  3.000
 L1C  H23   C23  C19   121.83  3.000
 L1C  H23   C23  C24   120.10  3.000
 L1C  C19   C23  C24   118.07  3.000
 L1C  H19   C19  C21   119.70  3.000
 L1C  H19   C19  C23   119.54  3.000
 L1C  C21   C19  C23   120.77  3.000
 L1C  H21   C21  C20   116.95  3.000
 L1C  H21   C21  C19   121.19  3.000
 L1C  C20   C21  C19   121.86  3.000
 L1C  O4    C20  C21   125.49  3.000
 L1C  O4    C20  N4    120.12  3.000
 L1C  C21   C20  N4    114.39  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
 L1C  CONST_01  C17  C16  C15  C14     0.00   0.0  0
 L1C  CONST_02  C17  C18  C13  C14     0.00   0.0  0
 L1C  CONST_03  C18  C13  C14  C15     0.00   0.0  0
 L1C  CONST_04  C18  C17  C16  C15     0.00   0.0  0
 L1C  CONST_05  C13  C14  C15  C16     0.00   0.0  0
 L1C  CONST_06  C13  C18  C17  C16     0.00   0.0  0
 L1C  CONST_07  C5   C6   C7   C2      0.00   0.0  0
 L1C  CONST_08  C5   C4   C3   C2      0.00   0.0  0
 L1C  CONST_09  C4   C3   C2   C7      0.00   0.0  0
 L1C  CONST_10  C4   C5   C6   C7      0.00   0.0  0
 L1C  CONST_11  C3   C2   C7   C6      0.00   0.0  0
 L1C  CONST_12  C3   C4   C5   C6      0.00   0.0  0
 L1C  CONST_13  C29  C28  C27  C26     0.00   0.0  0
 L1C  CONST_14  C29  C30  N6   C26     0.00   0.0  0
 L1C  CONST_15  C30  N6   C26  C27     0.00   0.0  0
 L1C  CONST_16  C30  C29  C28  C27     0.00   0.0  0
 L1C  CONST_17  N6   C26  C27  C28     0.00   0.0  0
 L1C  CONST_18  N6   C30  C29  C28     0.00   0.0  0
 L1C  CONST_19  C8   C17  C16  C15   180.00   0.0  0
 L1C  CONST_20  C8   C17  C18  C13   180.00   0.0  0
 L1C  CONST_21  N4   C29  C28  C27   180.00   0.0  0
 L1C  CONST_22  N4   C29  C30  N6    180.00   0.0  0
 L1C  CONST_23  C21  C20  N4   C29   180.00   0.0  0
 L1C  CONST_24  C21  C20  N4   C24     0.00   0.0  0
 L1C  CONST_25  C16  C15  C14  F2    180.00   0.0  0
 L1C  CONST_26  C18  C13  C14  F2    180.00   0.0  0
 L1C  CONST_27  F1   C16  C15  C14   180.00   0.0  0
 L1C  CONST_28  C18  C17  C16  F1    180.00   0.0  0
 L1C  CONST_29  C8   C17  C16  F1      0.00   0.0  0
 L1C  CONST_30  C6   C7   C2   N3    180.00   0.0  0
 L1C  CONST_31  C4   C3   C2   N3    180.00   0.0  0
 L1C  CONST_32  CL1  C5   C6   C7    180.00   0.0  0
 L1C  CONST_33  C3   C4   C5   CL1   180.00   0.0  0
 L1C  CONST_34  C28  C27  C26  N1    180.00   0.0  0
 L1C  CONST_35  C30  N6   C26  N1    180.00   0.0  0
 L1C  CONST_36  O4   C20  N4   C29     0.00   0.0  0
 L1C  CONST_37  O4   C20  N4   C24   180.00   0.0  0
 L1C  CONST_38  H18  C18  C13  C14   180.00   0.0  0
 L1C  CONST_39  H13  C13  C14  C15   180.00   0.0  0
 L1C  CONST_40  H15  C15  C16  C17   180.00   0.0  0
 L1C  CONST_41  H6   C6   C7   C2    180.00   0.0  0
 L1C  CONST_42  H4   C4   C3   C2    180.00   0.0  0
 L1C  CONST_43  HB   C3   C2   C7    180.00   0.0  0
 L1C  CONST_44  H7   C7   C6   C5    180.00   0.0  0
 L1C  CONST_45  H28  C28  C27  C26   180.00   0.0  0
 L1C  CONST_46  H30  C30  N6   C26   180.00   0.0  0
 L1C  CONST_47  H27  C27  C28  C29   180.00   0.0  0
 L1C  CONST_48  O2   C12  N2   C11   180.00   0.0  0
 L1C  CONST_49  C10  N2   C12  O2      0.00   0.0  0
 L1C  CONST_50  C26  N1   C1   C10   180.00   0.0  0
 L1C  CONST_51  C2   N3   C12  N2    180.00   0.0  0
 L1C  CONST_53  C3   C2   N3   C12   180.00   0.0  0
 L1C  CONST_54  C27  C26  N1   C1    180.00   0.0  0
 L1C  CONST_55  N6   C26  N1   C1      0.00   0.0  0
 L1C  CONST_56  N3   C12  N2   C11     0.00   0.0  0
 L1C  CONST_57  C10  N2   C12  N3    180.00   0.0  0
 L1C  CONST_58  HA   N3   C2   C7    180.00   0.0  0
 L1C  CONST_59  H1   N1   C26  C27     0.00   0.0  0
 L1C  CONST_60  C2   N3   C12  O2      0.00   0.0  0
 L1C  CONST_61  C26  N1   C1   O1      0.00   0.0  0
 L1C  Var_01    C10  N2   C11  C8      3.32  30.0  1
 L1C  Var_02    C24  N4   C29  C28  -112.19  30.0  2

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
 L1C  chir_01  C8   C17  C11  C9  positiv
 L1C  chir_02  C10  N2   C1   C9  negativ

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
 L1C  plan-1  F2   0.020
 L1C  plan-1  C14  0.020
 L1C  plan-1  C15  0.020
 L1C  plan-1  C16  0.020
 L1C  plan-1  F1   0.020
 L1C  plan-1  C17  0.020
 L1C  plan-1  C18  0.020
 L1C  plan-1  C13  0.020
 L1C  plan-1  C8   0.020
 L1C  plan-1  H15  0.020
 L1C  plan-1  H13  0.020
 L1C  plan-1  H18  0.020
 L1C  plan-2  N3   0.020
 L1C  plan-2  C2   0.020
 L1C  plan-2  C7   0.020
 L1C  plan-2  C6   0.020
 L1C  plan-2  C5   0.020
 L1C  plan-2  CL1  0.020
 L1C  plan-2  C4   0.020
 L1C  plan-2  C3   0.020
 L1C  plan-2  H7   0.020
 L1C  plan-2  HB   0.020
 L1C  plan-2  H6   0.020
 L1C  plan-2  H4   0.020
 L1C  plan-3  N1   0.020
 L1C  plan-3  C26  0.020
 L1C  plan-3  C27  0.020
 L1C  plan-3  C28  0.020
 L1C  plan-3  C29  0.020
 L1C  plan-3  C30  0.020
 L1C  plan-3  N6   0.020
 L1C  plan-3  N4   0.020
 L1C  plan-3  H27  0.020
 L1C  plan-3  H28  0.020
 L1C  plan-3  H30  0.020
 L1C  plan-4  C29  0.020
 L1C  plan-4  N4   0.020
 L1C  plan-4  C24  0.020
 L1C  plan-4  C23  0.020
 L1C  plan-4  C19  0.020
 L1C  plan-4  C21  0.020
 L1C  plan-4  C20  0.020
 L1C  plan-4  O4   0.020
 L1C  plan-4  H24  0.020
 L1C  plan-4  H23  0.020
 L1C  plan-4  H19  0.020
 L1C  plan-4  H21  0.020
 L1C  plan-5  C11  0.020
 L1C  plan-5  N2   0.020
 L1C  plan-5  C12  0.020
 L1C  plan-5  O2   0.020
 L1C  plan-5  N3   0.020
 L1C  plan-5  C2   0.020
 L1C  plan-5  C10  0.020
 L1C  plan-5  HA   0.020
 L1C  plan-6  C10  0.020
 L1C  plan-6  C1   0.020
 L1C  plan-6  O1   0.020
 L1C  plan-6  N1   0.020
 L1C  plan-6  C26  0.020
 L1C  plan-6  H1   0.020

