# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Jun 10 10:04:50 2020
#   Inital geometry file: a 145 line input string
#   Ligand name: (2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: O=C(N1CC(C1)N2CCN(CC2)c3ncccn3)c4ccc5nc(oc5c4)C6CCCCC6
#
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
 ZYH  ZYH  (2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone  ligand  63  33  .  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_ZYH
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
 ZYH  O01   O  O     0  -0.489    0.6445  -4.3522   0.6380
 ZYH  C02   C  C     0   0.494    0.6799  -3.1647   0.3359
 ZYH  C03   C  CR6   0  -0.066    1.9729  -2.4683   0.0733
 ZYH  C04   C  CR16  0  -0.277    2.9929  -3.1990  -0.5570
 ZYH  C05   C  CR16  0  -0.319    4.2368  -2.6499  -0.8133
 ZYH  C06   C  CR56  0   0.158    4.4539  -1.3414  -0.3978
 ZYH  N07   N  N     0  -0.441    5.5616  -0.5214  -0.4792
 ZYH  C08   C  CR5   0   0.553    5.1996   0.5797   0.0808
 ZYH  O09   O  O     0  -0.445    3.9269   0.5852   0.5435
 ZYH  C10   C  CR56  0   0.348    3.4363  -0.6414   0.2394
 ZYH  C11   C  CR16  0  -0.356    2.1845  -1.1566   0.4932
 ZYH  C12   C  CH1   0  -0.408    6.0143   1.8097   0.2618
 ZYH  C13   C  CH2   0  -0.413    7.2413   1.5260   1.1402
 ZYH  C14   C  CH2   0  -0.440    8.0896   2.7816   1.3097
 ZYH  C15   C  CH2   0  -0.431    8.5094   3.3575  -0.0383
 ZYH  C16   C  CH2   0  -0.439    7.2942   3.6289  -0.9188
 ZYH  C17   C  CH2   0  -0.415    6.4435   2.3769  -1.0984
 ZYH  N18   N  N     0  -0.462   -0.4340  -2.4315   0.2298
 ZYH  C19   C  C     0  -0.255   -1.8043  -2.9152   0.2698
 ZYH  C20   C  C     0  -0.138   -2.2259  -1.6810  -0.5557
 ZYH  C21   C  C     0  -0.263   -0.7651  -1.1895  -0.4640
 ZYH  N22   N  NT    0  -0.435   -3.1952  -0.8209   0.0679
 ZYH  C23   C  CH2   0  -0.294   -3.3548   0.4207  -0.6681
 ZYH  C24   C  CH2   0  -0.302   -4.3081   1.3557   0.0547
 ZYH  N25   N  NT    0  -0.501   -5.5754   0.6963   0.2919
 ZYH  C26   C  CH2   0  -0.303   -5.4511  -0.5792   0.9656
 ZYH  C27   C  CH2   0  -0.293   -4.4831  -1.4757   0.2152
 ZYH  C28   C  CR6   0   0.640   -6.7669   1.3050   0.0900
 ZYH  N29   N  N     0  -0.474   -6.7576   2.5306  -0.4529
 ZYH  C30   C  CR16  0  -0.009   -7.9297   3.1008  -0.6664
 ZYH  C31   C  CR16  0  -0.401   -9.1355   2.4944  -0.3521
 ZYH  C32   C  CR16  0  -0.009   -9.0316   1.2336   0.2129
 ZYH  N33   N  N     0  -0.473   -7.8752   0.6365   0.4384
 ZYH  H041  H  HCR6  0   0.265    2.7943  -4.2186  -0.8581
 ZYH  H051  H  HCR6  0   0.269    5.0096  -3.2191  -1.3118
 ZYH  H111  H  HCR6  0   0.287    1.4292  -0.5836   1.0139
 ZYH  H121  H  HCH1  0   0.265    5.3905   2.5530   0.7692
 ZYH  H131  H  HCH2  0   0.245    6.9218   1.1494   2.1146
 ZYH  H132  H  HCH2  0   0.226    7.8376   0.7371   0.6724
 ZYH  H141  H  HCH2  0   0.216    7.5157   3.5330   1.8626
 ZYH  H142  H  HCH2  0   0.235    8.9670   2.5498   1.9175
 ZYH  H151  H  HCH2  0   0.232    9.0831   4.2760   0.1057
 ZYH  H152  H  HCH2  0   0.213    9.1739   2.6492  -0.5450
 ZYH  H161  H  HCH2  0   0.216    6.6857   4.4177  -0.4638
 ZYH  H162  H  HCH2  0   0.235    7.6069   4.0020  -1.8965
 ZYH  H171  H  HCH2  0   0.226    7.0174   1.6159  -1.6357
 ZYH  H172  H  HCH2  0   0.245    5.5628   2.6010  -1.7048
 ZYH  H191  H  H     0   0.254   -1.9519  -3.8819  -0.2126
 ZYH  H192  H  H     0   0.247   -2.2162  -2.9510   1.2808
 ZYH  H201  H  H     0   0.247   -2.5049  -1.9539  -1.5844
 ZYH  H211  H  H     0   0.251   -0.6455  -0.2990   0.1561
 ZYH  H212  H  H     0   0.261   -0.2419  -1.0455  -1.4096
 ZYH  H231  H  HCH2  0   0.251   -2.3878   0.9208  -0.7586
 ZYH  H232  H  HCH2  0   0.207   -3.7253   0.2408  -1.6915
 ZYH  H241  H  HCH2  0   0.232   -3.8647   1.6587   1.0107
 ZYH  H242  H  HCH2  0   0.271   -4.4649   2.2509  -0.5389
 ZYH  H261  H  HCH2  0   0.232   -5.0843  -0.4225   1.9872
 ZYH  H262  H  HCH2  0   0.271   -6.4232  -1.0582   1.0307
 ZYH  H271  H  HCH2  0   0.207   -4.9188  -1.7453  -0.7615
 ZYH  H272  H  HCH2  0   0.251   -4.3624  -2.4018   0.7814
 ZYH  H301  H  HCR6  0   0.267   -7.9073   4.0913  -1.1093
 ZYH  H311  H  HCR6  0   0.269  -10.0867   2.9721  -0.5303
 ZYH  H321  H  HCR6  0   0.267   -9.9205   0.6800   0.4974

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
 ZYH  H311  C31   single    0.930  0.020  1.080
 ZYH  H301  C30   single    0.930  0.020  1.080
 ZYH  C31   C30   aromatic  1.386  0.020  1.386
 ZYH  C31   C32   aromatic  1.386  0.020  1.386
 ZYH  C30   N29   aromatic  1.321  0.020  1.321
 ZYH  H321  C32   single    0.930  0.020  1.080
 ZYH  C32   N33   aromatic  1.321  0.020  1.321
 ZYH  N29   C28   aromatic  1.340  0.020  1.340
 ZYH  C28   N33   aromatic  1.340  0.020  1.340
 ZYH  C28   N25   single    1.353  0.020  1.353
 ZYH  H242  C24   single    0.970  0.020  1.090
 ZYH  H241  C24   single    0.970  0.020  1.090
 ZYH  C24   N25   single    1.448  0.020  1.448
 ZYH  C24   C23   single    1.518  0.020  1.518
 ZYH  N25   C26   single    1.448  0.020  1.448
 ZYH  H232  C23   single    0.970  0.020  1.090
 ZYH  H231  C23   single    0.970  0.020  1.090
 ZYH  C23   N22   single    1.452  0.020  1.452
 ZYH  C26   H261  single    0.970  0.020  1.090
 ZYH  C26   H262  single    0.970  0.020  1.090
 ZYH  C26   C27   single    1.518  0.020  1.518
 ZYH  N22   C27   single    1.452  0.020  1.452
 ZYH  N22   C20   single    1.438  0.020  1.438
 ZYH  C27   H271  single    0.970  0.020  1.090
 ZYH  C27   H272  single    0.970  0.020  1.090
 ZYH  H211  C21   single    0.970  0.020  1.090
 ZYH  H201  C20   single    0.970  0.020  1.090
 ZYH  H212  C21   single    0.970  0.020  1.090
 ZYH  C20   C21   single    1.544  0.020  1.544
 ZYH  C20   C19   single    1.543  0.020  1.543
 ZYH  C21   N18   single    1.461  0.020  1.461
 ZYH  H051  C05   single    0.930  0.020  1.080
 ZYH  H041  C04   single    0.930  0.020  1.080
 ZYH  C05   C04   aromatic  1.384  0.020  1.384
 ZYH  C05   C06   aromatic  1.390  0.020  1.390
 ZYH  C04   C03   aromatic  1.404  0.020  1.404
 ZYH  H192  C19   single    0.970  0.020  1.090
 ZYH  C19   N18   single    1.454  0.020  1.454
 ZYH  C19   H191  single    0.970  0.020  1.090
 ZYH  H131  C13   single    0.970  0.020  1.090
 ZYH  N18   C02   single    1.338  0.020  1.338
 ZYH  C06   N07   aromatic  1.381  0.020  1.381
 ZYH  C06   C10   aromatic  1.390  0.020  1.390
 ZYH  N07   C08   aromatic  1.287  0.020  1.287
 ZYH  H132  C13   single    0.970  0.020  1.090
 ZYH  H142  C14   single    0.970  0.020  1.090
 ZYH  C03   C02   single    1.492  0.020  1.492
 ZYH  C03   C11   aromatic  1.393  0.020  1.393
 ZYH  C13   C14   single    1.525  0.020  1.525
 ZYH  C13   C12   single    1.536  0.020  1.536
 ZYH  C02   O01   double    1.226  0.020  1.226
 ZYH  C08   C12   single    1.486  0.020  1.486
 ZYH  C08   O09   aromatic  1.354  0.020  1.354
 ZYH  C10   C11   aromatic  1.377  0.020  1.377
 ZYH  C10   O09   aromatic  1.356  0.020  1.356
 ZYH  C14   H141  single    0.970  0.020  1.090
 ZYH  C14   C15   single    1.525  0.020  1.525
 ZYH  C11   H111  single    0.930  0.020  1.080
 ZYH  C12   H121  single    0.970  0.020  1.090
 ZYH  C12   C17   single    1.535  0.020  1.535
 ZYH  H152  C15   single    0.970  0.020  1.090
 ZYH  C15   H151  single    0.970  0.020  1.090
 ZYH  C15   C16   single    1.525  0.020  1.525
 ZYH  H172  C17   single    0.970  0.020  1.090
 ZYH  C17   C16   single    1.524  0.020  1.524
 ZYH  C17   H171  single    0.970  0.020  1.090
 ZYH  C16   H161  single    0.970  0.020  1.090
 ZYH  C16   H162  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
 ZYH  N18   C02  C03   116.86  3.000
 ZYH  C03   C02  O01   121.37  3.000
 ZYH  N18   C02  O01   121.77  3.000
 ZYH  C11   C03  C04   120.98  3.000
 ZYH  C11   C03  C02   121.20  3.000
 ZYH  C04   C03  C02   117.76  3.000
 ZYH  H041  C04  C05   119.18  3.000
 ZYH  C05   C04  C03   121.99  3.000
 ZYH  H041  C04  C03   118.83  3.000
 ZYH  H051  C05  C06   121.44  3.000
 ZYH  C06   C05  C04   117.30  3.000
 ZYH  H051  C05  C04   121.26  3.000
 ZYH  C10   C06  N07   108.38  3.000
 ZYH  C10   C06  C05   119.79  3.000
 ZYH  N07   C06  C05   131.82  3.000
 ZYH  C08   N07  C06   104.88  3.000
 ZYH  C12   C08  O09   118.04  3.000
 ZYH  O09   C08  N07   114.61  3.000
 ZYH  C12   C08  N07   127.35  3.000
 ZYH  C10   O09  C08   105.06  3.000
 ZYH  C11   C10  O09   128.76  3.000
 ZYH  O09   C10  C06   107.07  3.000
 ZYH  C11   C10  C06   124.17  3.000
 ZYH  H111  C11  C10   121.69  3.000
 ZYH  H111  C11  C03   122.52  3.000
 ZYH  C10   C11  C03   115.76  3.000
 ZYH  H121  C12  C17   108.61  3.000
 ZYH  C17   C12  C13   110.59  3.000
 ZYH  H121  C12  C13   108.40  3.000
 ZYH  C17   C12  C08   110.55  3.000
 ZYH  H121  C12  C08   107.82  3.000
 ZYH  C13   C12  C08   110.78  3.000
 ZYH  H132  C13  H131  106.99  3.000
 ZYH  H132  C13  C14   109.77  3.000
 ZYH  H131  C13  C14   110.33  3.000
 ZYH  C14   C13  C12   110.85  3.000
 ZYH  H132  C13  C12   108.92  3.000
 ZYH  H131  C13  C12   109.89  3.000
 ZYH  H142  C14  H141  106.59  3.000
 ZYH  H141  C14  C15   109.36  3.000
 ZYH  H142  C14  C15   110.54  3.000
 ZYH  C15   C14  C13   111.46  3.000
 ZYH  H141  C14  C13   109.24  3.000
 ZYH  H142  C14  C13   109.51  3.000
 ZYH  H152  C15  H151  106.63  3.000
 ZYH  H151  C15  C16   110.18  3.000
 ZYH  H152  C15  C16   109.35  3.000
 ZYH  C16   C15  C14   110.99  3.000
 ZYH  H151  C15  C14   110.22  3.000
 ZYH  H152  C15  C14   109.37  3.000
 ZYH  H162  C16  H161  106.55  3.000
 ZYH  H162  C16  C17   109.57  3.000
 ZYH  H161  C16  C17   109.30  3.000
 ZYH  H162  C16  C15   110.45  3.000
 ZYH  H161  C16  C15   109.33  3.000
 ZYH  C17   C16  C15   111.51  3.000
 ZYH  H172  C17  H171  107.03  3.000
 ZYH  H171  C17  C16   109.66  3.000
 ZYH  H172  C17  C16   110.30  3.000
 ZYH  H171  C17  C12   108.96  3.000
 ZYH  C16   C17  C12   110.80  3.000
 ZYH  H172  C17  C12   110.01  3.000
 ZYH  C21   N18  C19    94.72  3.000
 ZYH  C19   N18  C02   126.89  3.000
 ZYH  C21   N18  C02   133.83  3.000
 ZYH  H192  C19  H191  109.23  3.000
 ZYH  H191  C19  C20   115.81  3.000
 ZYH  H192  C19  C20   114.72  3.000
 ZYH  H191  C19  N18   114.23  3.000
 ZYH  H192  C19  N18   113.07  3.000
 ZYH  C20   C19  N18    88.66  3.000
 ZYH  H201  C20  N22   112.51  3.000
 ZYH  H201  C20  C21   111.99  3.000
 ZYH  N22   C20  C21   114.93  3.000
 ZYH  C21   C20  C19    87.96  3.000
 ZYH  H201  C20  C19   111.78  3.000
 ZYH  N22   C20  C19   115.49  3.000
 ZYH  H212  C21  H211  109.41  3.000
 ZYH  H212  C21  C20   116.40  3.000
 ZYH  H211  C21  C20   113.40  3.000
 ZYH  C20   C21  N18    88.40  3.000
 ZYH  H212  C21  N18   114.55  3.000
 ZYH  H211  C21  N18   113.51  3.000
 ZYH  C27   N22  C23   109.84  3.000
 ZYH  C27   N22  C20   111.84  3.000
 ZYH  C23   N22  C20   111.45  3.000
 ZYH  H232  C23  H231  107.16  3.000
 ZYH  H231  C23  C24   108.26  3.000
 ZYH  H232  C23  C24   109.34  3.000
 ZYH  H231  C23  N22   109.64  3.000
 ZYH  H232  C23  N22   111.57  3.000
 ZYH  C24   C23  N22   110.74  3.000
 ZYH  H242  C24  H241  107.90  3.000
 ZYH  H241  C24  N25   109.69  3.000
 ZYH  H242  C24  N25   109.79  3.000
 ZYH  N25   C24  C23   110.31  3.000
 ZYH  H241  C24  C23   109.35  3.000
 ZYH  H242  C24  C23   109.77  3.000
 ZYH  C28   N25  C26   122.78  3.000
 ZYH  C26   N25  C24   113.72  3.000
 ZYH  C28   N25  C24   122.77  3.000
 ZYH  H262  C26  H261  107.85  3.000
 ZYH  H262  C26  C27   109.89  3.000
 ZYH  H261  C26  C27   109.37  3.000
 ZYH  C27   C26  N25   110.19  3.000
 ZYH  H262  C26  N25   109.86  3.000
 ZYH  H261  C26  N25   109.64  3.000
 ZYH  H272  C27  H271  107.18  3.000
 ZYH  H272  C27  C26   108.36  3.000
 ZYH  H271  C27  C26   109.28  3.000
 ZYH  H272  C27  N22   109.69  3.000
 ZYH  H271  C27  N22   111.76  3.000
 ZYH  C26   C27  N22   110.45  3.000
 ZYH  N33   C28  N29   124.55  3.000
 ZYH  N33   C28  N25   117.70  3.000
 ZYH  N29   C28  N25   117.75  3.000
 ZYH  C30   N29  C28   117.00  3.000
 ZYH  H301  C30  C31   120.66  3.000
 ZYH  C31   C30  N29   123.13  3.000
 ZYH  H301  C30  N29   116.21  3.000
 ZYH  H311  C31  C32   122.42  3.000
 ZYH  C32   C31  C30   115.18  3.000
 ZYH  H311  C31  C30   122.40  3.000
 ZYH  H321  C32  N33   116.22  3.000
 ZYH  N33   C32  C31   123.14  3.000
 ZYH  H321  C32  C31   120.64  3.000
 ZYH  C32   N33  C28   117.00  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
 ZYH  CONST_01  C06   C05  C04  C03     0.00   0.0  0
 ZYH  CONST_02  C06   C10  C11  C03     0.00   0.0  0
 ZYH  CONST_03  O09   C10  C11  C03   180.00   0.0  0
 ZYH  CONST_04  N07   C06  C05  C04   180.00   0.0  0
 ZYH  CONST_05  C10   C06  C05  C04     0.00   0.0  0
 ZYH  CONST_06  C10   C11  C03  C04     0.00   0.0  0
 ZYH  CONST_07  C11   C03  C04  C05     0.00   0.0  0
 ZYH  CONST_08  C08   N07  C06  C05   180.00   0.0  0
 ZYH  CONST_09  C11   C10  C06  C05     0.00   0.0  0
 ZYH  CONST_10  O09   C10  C06  C05   180.00   0.0  0
 ZYH  CONST_11  O09   C08  N07  C06     0.00   0.0  0
 ZYH  CONST_12  C08   O09  C10  C06     0.00   0.0  0
 ZYH  CONST_13  C11   C10  C06  N07   180.00   0.0  0
 ZYH  CONST_14  O09   C10  C06  N07     0.00   0.0  0
 ZYH  CONST_15  C10   O09  C08  N07     0.00   0.0  0
 ZYH  CONST_16  C10   C06  N07  C08     0.00   0.0  0
 ZYH  CONST_17  C11   C10  O09  C08   180.00   0.0  0
 ZYH  CONST_18  C31   C30  N29  C28     0.00   0.0  0
 ZYH  CONST_19  C31   C32  N33  C28     0.00   0.0  0
 ZYH  CONST_20  C32   C31  C30  N29     0.00   0.0  0
 ZYH  CONST_21  C32   N33  C28  N29     0.00   0.0  0
 ZYH  CONST_22  N33   C32  C31  C30     0.00   0.0  0
 ZYH  CONST_23  N33   C28  N29  C30     0.00   0.0  0
 ZYH  CONST_24  C12   C08  N07  C06   180.00   0.0  0
 ZYH  CONST_25  C12   C08  O09  C10   180.00   0.0  0
 ZYH  CONST_26  C30   N29  C28  N25   180.00   0.0  0
 ZYH  CONST_27  C32   N33  C28  N25   180.00   0.0  0
 ZYH  CONST_28  C05   C04  C03  C02   180.00   0.0  0
 ZYH  CONST_29  C10   C11  C03  C02   180.00   0.0  0
 ZYH  CONST_31  C19   N18  C02  C03   180.00   0.0  0
 ZYH  CONST_32  H051  C05  C04  C03   180.00   0.0  0
 ZYH  CONST_33  H111  C11  C03  C04   180.00   0.0  0
 ZYH  CONST_34  H041  C04  C05  C06   180.00   0.0  0
 ZYH  CONST_35  H301  C30  N29  C28   180.00   0.0  0
 ZYH  CONST_36  H321  C32  N33  C28   180.00   0.0  0
 ZYH  CONST_37  H311  C31  C30  N29   180.00   0.0  0
 ZYH  CONST_39  C19   N18  C02  O01     0.00   0.0  0
 ZYH  Var_01    C15   C14  C13  C12   -56.05  30.0  1
 ZYH  Var_02    C15   C16  C17  C12    56.13  30.0  1
 ZYH  Var_03    C16   C15  C14  C13    55.51  30.0  1
 ZYH  Var_04    C17   C16  C15  C14   -55.58  30.0  1
 ZYH  Var_05    C20   C21  N18  C19    -3.98  30.0  1
 ZYH  Var_06    C24   C23  N22  C20  -176.07  30.0  1
 ZYH  Var_07    C26   C27  N22  C20   175.89  30.0  1
 ZYH  Var_08    N25   C24  C23  N22   -55.32  30.0  1
 ZYH  Var_09    N25   C26  C27  N22    56.23  30.0  1
 ZYH  Var_10    C28   N25  C24  C23  -136.39  30.0  1
 ZYH  Var_11    N29   C28  N25  C24     5.44  30.0  3
 ZYH  Var_12    C27   C26  N25  C24   -53.68  30.0  1
 ZYH  Var_13    N18   C02  C03  C04  -144.67  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
 ZYH  chir_01  C12  C13  C08  C17  positiv
 ZYH  chir_02  C20  N22  C21  C19  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
 ZYH  plan-1  O01   0.020
 ZYH  plan-1  C02   0.020
 ZYH  plan-1  C03   0.020
 ZYH  plan-1  N18   0.020
 ZYH  plan-1  C19   0.020
 ZYH  plan-1  C21   0.020
 ZYH  plan-2  N25   0.020
 ZYH  plan-2  C28   0.020
 ZYH  plan-2  N29   0.020
 ZYH  plan-2  C30   0.020
 ZYH  plan-2  C31   0.020
 ZYH  plan-2  C32   0.020
 ZYH  plan-2  N33   0.020
 ZYH  plan-2  H301  0.020
 ZYH  plan-2  H311  0.020
 ZYH  plan-2  H321  0.020
 ZYH  plan-3  C02   0.020
 ZYH  plan-3  C03   0.020
 ZYH  plan-3  C04   0.020
 ZYH  plan-3  C05   0.020
 ZYH  plan-3  C06   0.020
 ZYH  plan-3  N07   0.020
 ZYH  plan-3  C08   0.020
 ZYH  plan-3  O09   0.020
 ZYH  plan-3  C10   0.020
 ZYH  plan-3  C11   0.020
 ZYH  plan-3  C12   0.020
 ZYH  plan-3  H041  0.020
 ZYH  plan-3  H051  0.020
 ZYH  plan-3  H111  0.020

