# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Jun 11 05:58:20 2020
#   Inital geometry file: a 155 line input string
#   Ligand name: N-{(1S)-1-[4-(4-fluorobenzyl)-5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}-2-(trifluoromethyl)benzamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@H](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCOc3ccc(F)cc3)n2Cc4ccc(F)cc4
#
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
 ZVW  ZVW  N-{(1S)-1-[4-(4-fluorobenzyl)-5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}-2-(trifluoromethyl)benzamide  ligand  62  39  .  2021-08-25  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_ZVW
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
 ZVW  F7    F  F     0  -0.321  -11.5174  -0.3727  -0.6587
 ZVW  C2    C  CR6   0   0.500  -10.2383  -0.0372  -0.4076
 ZVW  C1    C  CR16  0  -0.393   -9.9228   1.2909  -0.1828
 ZVW  C6    C  CR16  0  -0.327   -8.6073   1.6342   0.0720
 ZVW  C3    C  CR16  0  -0.396   -9.2748  -1.0209  -0.3822
 ZVW  C4    C  CR16  0  -0.364   -7.9521  -0.6744  -0.1253
 ZVW  C5    C  CR6   0   0.379   -7.6128   0.6555   0.1032
 ZVW  O8    O  O2    0  -0.474   -6.3596   1.0893   0.3623
 ZVW  C9    C  CH2   0  -0.174   -5.3047   0.1506   0.3652
 ZVW  C10   C  CH2   0  -0.576   -4.0427   0.9427   0.6532
 ZVW  S11   S  S2    0   0.058   -2.6469  -0.2203   0.6260
 ZVW  C12   C  CR5   0   0.276   -1.3762   0.8655   1.1085
 ZVW  N13   N  N     0  -0.329   -1.4693   2.1473   1.3105
 ZVW  N14   N  N     0  -0.320   -0.2399   2.5806   1.6953
 ZVW  N16   N  NR5   0  -0.491   -0.1097   0.4359   1.3418
 ZVW  C17   C  CH2   0  -0.384    0.3818  -0.9214   1.2404
 ZVW  C18   C  CR6   0   0.070    0.8659  -1.3131  -0.1344
 ZVW  C19   C  CR16  0  -0.254    1.7898  -2.3494  -0.2387
 ZVW  C20   C  CR16  0  -0.395    2.2247  -2.8020  -1.4744
 ZVW  C21   C  CR6   0   0.524    1.7245  -2.1981  -2.6108
 ZVW  F24   F  F     0  -0.315    2.1462  -2.6202  -3.8135
 ZVW  C22   C  CR16  0  -0.406    0.8137  -1.1631  -2.5467
 ZVW  C23   C  CR16  0  -0.277    0.3865  -0.7254  -1.2997
 ZVW  C15   C  CR5   0   0.486    0.5655   1.5629   1.7129
 ZVW  C25   C  CH1   0  -0.232    2.0059   1.5948   2.1199
 ZVW  C26   C  CH3   0  -0.645    2.3897   2.9397   2.7215
 ZVW  N27   N  NH1   0  -0.619    2.8619   1.2766   0.9925
 ZVW  C28   C  C     0   0.499    3.7275   0.2456   0.9778
 ZVW  O29   O  O     0  -0.469    3.8100  -0.5862   1.8652
 ZVW  C30   C  CR6   0  -0.001    4.5670   0.1658  -0.2624
 ZVW  C35   C  CR6   0  -0.225    5.9524  -0.0306  -0.2275
 ZVW  C36   C  CT    0   1.067    6.7150  -0.0528   1.0674
 ZVW  F38   F  F     0  -0.305    8.0184   0.1894   0.8766
 ZVW  F37   F  F     0  -0.313    6.2798   0.8800   1.9235
 ZVW  F39   F  F     0  -0.311    6.6400  -1.2350   1.6877
 ZVW  C31   C  CR16  0  -0.265    3.9236   0.2253  -1.4919
 ZVW  C32   C  CR16  0  -0.235    4.6280   0.0677  -2.6758
 ZVW  C33   C  CR16  0  -0.238    5.9952  -0.1402  -2.6370
 ZVW  C34   C  CR16  0  -0.286    6.6548  -0.1785  -1.4162
 ZVW  H1    H  HCR6  0   0.283  -10.6921   2.0511  -0.2070
 ZVW  H3    H  HCR6  0   0.284   -9.5396  -2.0548  -0.5600
 ZVW  H6    H  HCR6  0   0.276   -8.3439   2.6692   0.2483
 ZVW  H4    H  HCR6  0   0.291   -7.2111  -1.4611  -0.1095
 ZVW  H91C  H  HCH2  0   0.244   -5.4614  -0.6139   1.1341
 ZVW  H92C  H  HCH2  0   0.243   -5.2310  -0.3540  -0.6046
 ZVW  H101  H  HCH2  0   0.298   -3.8842   1.7078  -0.1055
 ZVW  H102  H  HCH2  0   0.298   -4.0933   1.4131   1.6344
 ZVW  H171  H  HCH2  0   0.297    1.1792  -1.0561   1.9704
 ZVW  H172  H  HCH2  0   0.302   -0.4234  -1.5888   1.5583
 ZVW  H19   H  HCR6  0   0.269    2.1861  -2.8100   0.6573
 ZVW  H23   H  HCR6  0   0.267   -0.3245   0.0888  -1.2642
 ZVW  H20   H  HCR6  0   0.282    2.9520  -3.5993  -1.5478
 ZVW  H22   H  HCR6  0   0.284    0.4412  -0.7009  -3.4514
 ZVW  H25   H  HCH1  0   0.298    2.1687   0.8197   2.8715
 ZVW  H261  H  HCH3  0   0.238    2.2791   3.7458   1.9971
 ZVW  H262  H  HCH3  0   0.248    1.7718   3.1727   3.5867
 ZVW  H263  H  HCH3  0   0.249    3.4292   2.9045   3.0440
 ZVW  H27   H  HNH1  0   0.413    2.9185   1.9636   0.2555
 ZVW  H31   H  HCR6  0   0.289    2.8526   0.3752  -1.5289
 ZVW  H34   H  HCR6  0   0.279    7.7265  -0.3169  -1.4094
 ZVW  H32   H  HCR6  0   0.271    4.1054   0.1098  -3.6220
 ZVW  H33   H  HCR6  0   0.274    6.5589  -0.2638  -3.5516

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
 ZVW  F7   C2    single    1.346  0.020  1.346
 ZVW  C2   C1    aromatic  1.383  0.020  1.383
 ZVW  C2   C3    aromatic  1.377  0.020  1.377
 ZVW  C1   C6    aromatic  1.383  0.020  1.383
 ZVW  C6   C5    aromatic  1.396  0.020  1.396
 ZVW  C3   C4    aromatic  1.391  0.020  1.391
 ZVW  C4   C5    aromatic  1.391  0.020  1.391
 ZVW  C5   O8    single    1.351  0.020  1.351
 ZVW  O8   C9    single    1.412  0.020  1.412
 ZVW  C9   C10   single    1.518  0.020  1.518
 ZVW  C10  S11   single    1.817  0.020  1.817
 ZVW  S11  C12   single    1.740  0.020  1.740
 ZVW  C12  N13   aromatic  1.301  0.020  1.301
 ZVW  C12  N16   aromatic  1.357  0.020  1.357
 ZVW  N13  N14   aromatic  1.359  0.020  1.359
 ZVW  N14  C15   aromatic  1.298  0.020  1.298
 ZVW  N16  C17   single    1.447  0.020  1.447
 ZVW  N16  C15   aromatic  1.365  0.020  1.365
 ZVW  C17  C18   single    1.509  0.020  1.509
 ZVW  C18  C19   aromatic  1.392  0.020  1.392
 ZVW  C18  C23   aromatic  1.390  0.020  1.390
 ZVW  C19  C20   aromatic  1.386  0.020  1.386
 ZVW  C20  C21   aromatic  1.381  0.020  1.381
 ZVW  C21  F24   single    1.343  0.020  1.343
 ZVW  C21  C22   aromatic  1.380  0.020  1.380
 ZVW  C22  C23   aromatic  1.389  0.020  1.389
 ZVW  C15  C25   single    1.497  0.020  1.497
 ZVW  C25  C26   single    1.523  0.020  1.523
 ZVW  C25  N27   single    1.451  0.020  1.451
 ZVW  N27  C28   single    1.346  0.020  1.346
 ZVW  C28  O29   double    1.219  0.020  1.219
 ZVW  C28  C30   single    1.500  0.020  1.500
 ZVW  C30  C35   aromatic  1.400  0.020  1.400
 ZVW  C30  C31   aromatic  1.389  0.020  1.389
 ZVW  C35  C36   single    1.503  0.020  1.503
 ZVW  C35  C34   aromatic  1.389  0.020  1.389
 ZVW  C36  F38   single    1.339  0.020  1.339
 ZVW  C36  F37   single    1.339  0.020  1.339
 ZVW  C36  F39   single    1.337  0.020  1.337
 ZVW  C31  C32   aromatic  1.387  0.020  1.387
 ZVW  C32  C33   aromatic  1.383  0.020  1.383
 ZVW  C33  C34   aromatic  1.388  0.020  1.388
 ZVW  C1   H1    single    0.930  0.020  1.080
 ZVW  C3   H3    single    0.930  0.020  1.080
 ZVW  C6   H6    single    0.930  0.020  1.080
 ZVW  C4   H4    single    0.930  0.020  1.080
 ZVW  C9   H91C  single    0.970  0.020  1.090
 ZVW  C9   H92C  single    0.970  0.020  1.090
 ZVW  C10  H101  single    0.970  0.020  1.090
 ZVW  C10  H102  single    0.970  0.020  1.090
 ZVW  C17  H171  single    0.970  0.020  1.090
 ZVW  C17  H172  single    0.970  0.020  1.090
 ZVW  C19  H19   single    0.930  0.020  1.080
 ZVW  C23  H23   single    0.930  0.020  1.080
 ZVW  C20  H20   single    0.930  0.020  1.080
 ZVW  C22  H22   single    0.930  0.020  1.080
 ZVW  C25  H25   single    0.970  0.020  1.090
 ZVW  C26  H261  single    0.970  0.020  1.090
 ZVW  C26  H262  single    0.970  0.020  1.090
 ZVW  C26  H263  single    0.970  0.020  1.090
 ZVW  N27  H27   single    0.860  0.020  1.020
 ZVW  C31  H31   single    0.930  0.020  1.080
 ZVW  C34  H34   single    0.930  0.020  1.080
 ZVW  C32  H32   single    0.930  0.020  1.080
 ZVW  C33  H33   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
 ZVW  C3    C2   C1    121.54  3.000
 ZVW  C3    C2   F7    119.36  3.000
 ZVW  C1    C2   F7    119.10  3.000
 ZVW  H1    C1   C6    120.40  3.000
 ZVW  H1    C1   C2    120.58  3.000
 ZVW  C6    C1   C2    119.02  3.000
 ZVW  H6    C6   C5    119.57  3.000
 ZVW  H6    C6   C1    119.91  3.000
 ZVW  C5    C6   C1    120.52  3.000
 ZVW  H3    C3   C4    120.07  3.000
 ZVW  H3    C3   C2    120.54  3.000
 ZVW  C4    C3   C2    119.39  3.000
 ZVW  H4    C4   C5    121.74  3.000
 ZVW  H4    C4   C3    118.25  3.000
 ZVW  C5    C4   C3    120.01  3.000
 ZVW  O8    C5   C4    124.37  3.000
 ZVW  O8    C5   C6    116.10  3.000
 ZVW  C4    C5   C6    119.52  3.000
 ZVW  C9    O8   C5    118.67  3.000
 ZVW  H92C  C9   H91C  108.03  3.000
 ZVW  H92C  C9   C10   110.63  3.000
 ZVW  H91C  C9   C10   110.49  3.000
 ZVW  H92C  C9   O8    110.77  3.000
 ZVW  H91C  C9   O8    111.00  3.000
 ZVW  C10   C9   O8    105.94  3.000
 ZVW  H102  C10  H101  109.33  3.000
 ZVW  H102  C10  S11   109.01  3.000
 ZVW  H101  C10  S11   109.11  3.000
 ZVW  H102  C10  C9    110.96  3.000
 ZVW  H101  C10  C9    110.82  3.000
 ZVW  S11   C10  C9    107.57  3.000
 ZVW  C12   S11  C10    99.06  3.000
 ZVW  N16   C12  N13   110.60  3.000
 ZVW  N16   C12  S11   122.11  3.000
 ZVW  N13   C12  S11   127.28  3.000
 ZVW  N14   N13  C12   107.06  3.000
 ZVW  C15   N14  N13   108.37  3.000
 ZVW  C15   N16  C17   128.70  3.000
 ZVW  C15   N16  C12   104.30  3.000
 ZVW  C17   N16  C12   126.99  3.000
 ZVW  H172  C17  H171  105.59  3.000
 ZVW  H172  C17  C18   110.05  3.000
 ZVW  H171  C17  C18   110.09  3.000
 ZVW  H172  C17  N16   107.58  3.000
 ZVW  H171  C17  N16   108.52  3.000
 ZVW  C18   C17  N16   114.59  3.000
 ZVW  C23   C18  C19   118.72  3.000
 ZVW  C23   C18  C17   122.90  3.000
 ZVW  C19   C18  C17   118.32  3.000
 ZVW  H19   C19  C20   118.95  3.000
 ZVW  H19   C19  C18   119.84  3.000
 ZVW  C20   C19  C18   121.21  3.000
 ZVW  H20   C20  C21   120.67  3.000
 ZVW  H20   C20  C19   120.82  3.000
 ZVW  C21   C20  C19   118.51  3.000
 ZVW  C22   C21  F24   118.99  3.000
 ZVW  C22   C21  C20   121.93  3.000
 ZVW  F24   C21  C20   119.08  3.000
 ZVW  H22   C22  C23   120.67  3.000
 ZVW  H22   C22  C21   120.58  3.000
 ZVW  C23   C22  C21   118.75  3.000
 ZVW  H23   C23  C22   117.97  3.000
 ZVW  H23   C23  C18   121.15  3.000
 ZVW  C22   C23  C18   120.88  3.000
 ZVW  C25   C15  N16   124.57  3.000
 ZVW  C25   C15  N14   125.73  3.000
 ZVW  N16   C15  N14   109.67  3.000
 ZVW  H25   C25  N27   106.93  3.000
 ZVW  H25   C25  C26   108.51  3.000
 ZVW  N27   C25  C26   110.61  3.000
 ZVW  H25   C25  C15   108.39  3.000
 ZVW  N27   C25  C15   110.59  3.000
 ZVW  C26   C25  C15   111.64  3.000
 ZVW  H263  C26  H262  108.27  3.000
 ZVW  H263  C26  H261  108.53  3.000
 ZVW  H262  C26  H261  108.21  3.000
 ZVW  H263  C26  C25   109.22  3.000
 ZVW  H262  C26  C25   111.10  3.000
 ZVW  H261  C26  C25   111.42  3.000
 ZVW  H27   N27  C28   118.51  3.000
 ZVW  H27   N27  C25   116.82  3.000
 ZVW  C28   N27  C25   123.77  3.000
 ZVW  C30   C28  O29   121.85  3.000
 ZVW  C30   C28  N27   114.19  3.000
 ZVW  O29   C28  N27   123.93  3.000
 ZVW  C31   C30  C35   119.12  3.000
 ZVW  C31   C30  C28   118.06  3.000
 ZVW  C35   C30  C28   122.74  3.000
 ZVW  C34   C35  C36   118.64  3.000
 ZVW  C34   C35  C30   119.62  3.000
 ZVW  C36   C35  C30   121.72  3.000
 ZVW  F39   C36  F37   107.52  3.000
 ZVW  F39   C36  F38   106.29  3.000
 ZVW  F37   C36  F38   106.35  3.000
 ZVW  F39   C36  C35   112.59  3.000
 ZVW  F37   C36  C35   112.07  3.000
 ZVW  F38   C36  C35   111.62  3.000
 ZVW  H31   C31  C32   119.30  3.000
 ZVW  H31   C31  C30   119.65  3.000
 ZVW  C32   C31  C30   121.04  3.000
 ZVW  H32   C32  C33   120.52  3.000
 ZVW  H32   C32  C31   119.80  3.000
 ZVW  C33   C32  C31   119.68  3.000
 ZVW  H33   C33  C34   119.53  3.000
 ZVW  H33   C33  C32   120.57  3.000
 ZVW  C34   C33  C32   119.89  3.000
 ZVW  H34   C34  C33   118.71  3.000
 ZVW  H34   C34  C35   120.65  3.000
 ZVW  C33   C34  C35   120.64  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
 ZVW  CONST_01  C5    C6   C1   C2      0.00   0.0  0
 ZVW  CONST_02  C5    C4   C3   C2      0.00   0.0  0
 ZVW  CONST_03  C4    C3   C2   C1      0.00   0.0  0
 ZVW  CONST_04  C4    C5   C6   C1      0.00   0.0  0
 ZVW  CONST_05  C3    C2   C1   C6      0.00   0.0  0
 ZVW  CONST_06  C3    C4   C5   C6      0.00   0.0  0
 ZVW  CONST_07  C15   N14  N13  C12     0.00   0.0  0
 ZVW  CONST_08  N14   C15  N16  C12     0.00   0.0  0
 ZVW  CONST_09  C15   N16  C12  N13     0.00   0.0  0
 ZVW  CONST_10  N16   C15  N14  N13     0.00   0.0  0
 ZVW  CONST_11  N16   C12  N13  N14     0.00   0.0  0
 ZVW  CONST_12  C21   C20  C19  C18     0.00   0.0  0
 ZVW  CONST_13  C21   C22  C23  C18     0.00   0.0  0
 ZVW  CONST_14  C22   C23  C18  C19     0.00   0.0  0
 ZVW  CONST_15  C22   C21  C20  C19     0.00   0.0  0
 ZVW  CONST_16  C23   C18  C19  C20     0.00   0.0  0
 ZVW  CONST_17  C23   C22  C21  C20     0.00   0.0  0
 ZVW  CONST_18  C33   C34  C35  C30     0.00   0.0  0
 ZVW  CONST_19  C33   C32  C31  C30     0.00   0.0  0
 ZVW  CONST_20  C32   C31  C30  C35     0.00   0.0  0
 ZVW  CONST_21  C32   C33  C34  C35     0.00   0.0  0
 ZVW  CONST_22  C34   C35  C30  C31     0.00   0.0  0
 ZVW  CONST_23  C34   C33  C32  C31     0.00   0.0  0
 ZVW  CONST_24  C6    C1   C2   F7    180.00   0.0  0
 ZVW  CONST_25  C4    C3   C2   F7    180.00   0.0  0
 ZVW  CONST_26  O8    C5   C6   C1    180.00   0.0  0
 ZVW  CONST_27  O8    C5   C4   C3    180.00   0.0  0
 ZVW  CONST_28  N14   N13  C12  S11   180.00   0.0  0
 ZVW  CONST_29  C15   N16  C12  S11   180.00   0.0  0
 ZVW  CONST_30  C25   C15  N16  C12   180.00   0.0  0
 ZVW  CONST_31  C17   N16  C12  N13   180.00   0.0  0
 ZVW  CONST_32  C25   C15  N14  N13   180.00   0.0  0
 ZVW  CONST_33  C17   N16  C15  N14   180.00   0.0  0
 ZVW  CONST_34  C20   C19  C18  C17   180.00   0.0  0
 ZVW  CONST_35  C22   C23  C18  C17   180.00   0.0  0
 ZVW  CONST_36  F24   C21  C20  C19   180.00   0.0  0
 ZVW  CONST_37  C23   C22  C21  F24   180.00   0.0  0
 ZVW  CONST_38  C34   C35  C30  C28   180.00   0.0  0
 ZVW  CONST_39  C32   C31  C30  C28   180.00   0.0  0
 ZVW  CONST_40  C31   C30  C35  C36   180.00   0.0  0
 ZVW  CONST_41  C33   C34  C35  C36   180.00   0.0  0
 ZVW  CONST_42  H6    C6   C1   C2    180.00   0.0  0
 ZVW  CONST_43  H4    C4   C3   C2    180.00   0.0  0
 ZVW  CONST_44  H3    C3   C2   C1    180.00   0.0  0
 ZVW  CONST_45  H1    C1   C2   C3    180.00   0.0  0
 ZVW  CONST_46  H20   C20  C19  C18   180.00   0.0  0
 ZVW  CONST_47  H22   C22  C23  C18   180.00   0.0  0
 ZVW  CONST_48  H23   C23  C18  C19   180.00   0.0  0
 ZVW  CONST_49  H19   C19  C20  C21   180.00   0.0  0
 ZVW  CONST_50  H34   C34  C35  C30   180.00   0.0  0
 ZVW  CONST_51  H32   C32  C31  C30   180.00   0.0  0
 ZVW  CONST_52  H31   C31  C30  C35   180.00   0.0  0
 ZVW  CONST_53  H33   C33  C34  C35   180.00   0.0  0
 ZVW  CONST_54  C30   C28  N27  C25   180.00   0.0  0
 ZVW  CONST_55  H27   N27  C28  C30     0.00   0.0  0
 ZVW  CONST_56  O29   C28  N27  C25     0.00   0.0  0
 ZVW  Var_01    C18   C17  N16  C12    87.99  30.0  2
 ZVW  Var_02    C19   C18  C17  N16   156.02  30.0  2
 ZVW  Var_03    N13   C12  S11  C10    -4.50  30.0  2
 ZVW  Var_04    C35   C30  C28  N27   132.87  30.0  2
 ZVW  Var_05    F38   C36  C35  C30  -159.48  30.0  2
 ZVW  Var_06    C10   C9   O8   C5    178.79  30.0  3
 ZVW  Var_07    H101  C10  S11  C12    64.41  30.0  2
 ZVW  Var_08    S11   C10  C9   O8   -178.61  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
 ZVW  chir_01  C25  C15  C26  N27  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
 ZVW  plan-1  S11  0.020
 ZVW  plan-1  C12  0.020
 ZVW  plan-1  N13  0.020
 ZVW  plan-1  N14  0.020
 ZVW  plan-1  N16  0.020
 ZVW  plan-1  C17  0.020
 ZVW  plan-1  C15  0.020
 ZVW  plan-1  C25  0.020
 ZVW  plan-2  F7   0.020
 ZVW  plan-2  C2   0.020
 ZVW  plan-2  C1   0.020
 ZVW  plan-2  C6   0.020
 ZVW  plan-2  C3   0.020
 ZVW  plan-2  C4   0.020
 ZVW  plan-2  C5   0.020
 ZVW  plan-2  O8   0.020
 ZVW  plan-2  H1   0.020
 ZVW  plan-2  H3   0.020
 ZVW  plan-2  H6   0.020
 ZVW  plan-2  H4   0.020
 ZVW  plan-3  C17  0.020
 ZVW  plan-3  C18  0.020
 ZVW  plan-3  C19  0.020
 ZVW  plan-3  C20  0.020
 ZVW  plan-3  C21  0.020
 ZVW  plan-3  F24  0.020
 ZVW  plan-3  C22  0.020
 ZVW  plan-3  C23  0.020
 ZVW  plan-3  H19  0.020
 ZVW  plan-3  H23  0.020
 ZVW  plan-3  H20  0.020
 ZVW  plan-3  H22  0.020
 ZVW  plan-4  C28  0.020
 ZVW  plan-4  C30  0.020
 ZVW  plan-4  C35  0.020
 ZVW  plan-4  C36  0.020
 ZVW  plan-4  C31  0.020
 ZVW  plan-4  C32  0.020
 ZVW  plan-4  C33  0.020
 ZVW  plan-4  C34  0.020
 ZVW  plan-4  H31  0.020
 ZVW  plan-4  H34  0.020
 ZVW  plan-4  H32  0.020
 ZVW  plan-4  H33  0.020
 ZVW  plan-5  C25  0.020
 ZVW  plan-5  N27  0.020
 ZVW  plan-5  C28  0.020
 ZVW  plan-5  O29  0.020
 ZVW  plan-5  C30  0.020
 ZVW  plan-5  H27  0.020

