# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Mar  9 17:43:20 2022
#   Inital geometry file: a 162 line input string
#   Ligand name: (2S,8S)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(naphthalen-2-ylmethyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: OO[C@]1(Cc2ccc3ccccc3c2)N=C4[C@H](Cc5ccccc5)NC(=CN4C1=O)c6ccc(O)cc6
#
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
 CZN  CZN  (2S,8S)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(naphthalen-2-ylmethyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one  ligand  62  37  .  2022-03-15  2022-03-15
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_CZN
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
 CZN  O21   O  O     0  -0.422  -0.7045   2.6755  -2.1936
 CZN  C3    C  CR5   0   0.532  -0.4163   1.7568  -1.4678
 CZN  N4    N  NR5   0  -0.567  -1.2704   0.9616  -0.7601
 CZN  C5    C  C1    0  -0.154  -2.6647   1.0480  -0.6476
 CZN  C9    C  CR5   0   0.537  -0.5168   0.0178  -0.0752
 CZN  C8    C  CH1   0  -0.201  -1.2791  -0.9987   0.7131
 CZN  N7    N  NH1   0  -0.665  -2.4641  -0.3498   1.2294
 CZN  C6    C  C     0   0.262  -3.2475   0.4001   0.3776
 CZN  C22   C  CR6   0   0.037  -4.6943   0.4654   0.6245
 CZN  C23   C  CR16  0  -0.288  -5.4058   1.6480   0.4119
 CZN  C24   C  CR16  0  -0.321  -6.7711   1.7115   0.6163
 CZN  C25   C  CR6   0   0.352  -7.4638   0.5840   1.0568
 CZN  C26   C  CR16  0  -0.371  -6.7661  -0.5994   1.2863
 CZN  C27   C  CR16  0  -0.295  -5.3989  -0.6515   1.0720
 CZN  O28   O  OH1   0  -0.626  -8.7902   0.6962   1.2466
 CZN  C29   C  CH2   0  -0.509  -1.6134  -2.2399  -0.1456
 CZN  C30   C  CR6   0   0.139  -0.4127  -2.8627  -0.7969
 CZN  C31   C  CR16  0  -0.296   0.5936  -3.4494  -0.0330
 CZN  C32   C  CR16  0  -0.235   1.7228  -3.9839  -0.6359
 CZN  C33   C  CR16  0  -0.265   1.8628  -3.9446  -2.0176
 CZN  C34   C  CR16  0  -0.268   0.8601  -3.3755  -2.7916
 CZN  C35   C  CR16  0  -0.344  -0.2686  -2.8379  -2.1815
 CZN  N1    N  N     0  -0.407   0.7421   0.0978  -0.2200
 CZN  C2    C  CR5   0   0.212   0.9839   1.2365  -1.0784
 CZN  O36   O  O2    0  -0.278   1.7360   0.8927  -2.2055
 CZN  O37   O  OH1   0  -0.449   0.9846  -0.0032  -2.9853
 CZN  C10   C  CH2   0  -0.568   1.7677   2.3306  -0.3455
 CZN  C11   C  CR6   0   0.146   3.1405   1.8798   0.0668
 CZN  C12   C  CR16  0  -0.368   3.3478   1.2525   1.2678
 CZN  C13   C  CR66  0   0.137   4.6312   0.8025   1.6527
 CZN  C14   C  CR16  0  -0.315   4.8551   0.1489   2.8885
 CZN  C18   C  CR66  0   0.099   5.7269   1.0049   0.7745
 CZN  C19   C  CR16  0  -0.301   5.4956   1.6620  -0.4563
 CZN  C20   C  CR16  0  -0.298   4.2411   2.0833  -0.7988
 CZN  C17   C  CR16  0  -0.310   7.0104   0.5496   1.1583
 CZN  C16   C  CR16  0  -0.260   7.1964  -0.0808   2.3584
 CZN  C15   C  CR16  0  -0.259   6.1067  -0.2834   3.2325
 CZN  H5    H  H     0   0.295  -3.1913   1.6085  -1.4023
 CZN  H8    H  HCH1  0   0.300  -0.6586  -1.3034   1.5563
 CZN  HN7   H  HNH1  0   0.399  -2.9169  -0.8107   2.0014
 CZN  H23   H  HCR6  0   0.260  -4.8811   2.5402   0.0950
 CZN  H24   H  HCR6  0   0.269  -7.3039   2.6391   0.4483
 CZN  H26   H  HCR6  0   0.277  -7.2880  -1.4863   1.6262
 CZN  H27   H  HCR6  0   0.257  -4.8878  -1.5921   1.2381
 CZN  H28   H  HOH1  0   0.477  -9.1611  -0.1388   1.5539
 CZN  H291  H  HCH2  0   0.277  -2.1030  -2.9556   0.5202
 CZN  H292  H  HCH2  0   0.261  -2.3489  -1.9667  -0.9061
 CZN  H31   H  HCR6  0   0.251   0.4987  -3.4865   1.0463
 CZN  H32   H  HCR6  0   0.257   2.4965  -4.4332  -0.0267
 CZN  H33   H  HCR6  0   0.259   2.7439  -4.3607  -2.4881
 CZN  H34   H  HCR6  0   0.266   0.9518  -3.3531  -3.8702
 CZN  H35   H  HCR6  0   0.261  -1.0499  -2.3966  -2.7903
 CZN  H37   H  HOH1  0   0.478   1.2103  -0.8718  -2.6125
 CZN  H101  H  HCH2  0   0.281   1.8273   3.2064  -0.9963
 CZN  H102  H  HCH2  0   0.290   1.1835   2.6253   0.5289
 CZN  H12   H  HCR6  0   0.242   2.5167   1.0934   1.9450
 CZN  H14   H  HCR6  0   0.254   4.0191  -0.0057   3.5601
 CZN  H19   H  HCR6  0   0.253   6.3278   1.8275  -1.1302
 CZN  H20   H  HCR6  0   0.250   4.0858   2.5909  -1.7429
 CZN  H17   H  HCR6  0   0.254   7.8463   0.7059   0.4867
 CZN  H16   H  HCR6  0   0.258   8.1813  -0.4265   2.6437
 CZN  H15   H  HCR6  0   0.257   6.2675  -0.7844   4.1784

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
 CZN  O21  C3    double    1.206  0.020  1.206
 CZN  C3   N4    single    1.365  0.020  1.365
 CZN  C3   C2    single    1.544  0.020  1.544
 CZN  N4   C5    single    1.401  0.020  1.401
 CZN  N4   C9    single    1.389  0.020  1.389
 CZN  C5   C6    double    1.346  0.020  1.346
 CZN  C5   H5    single    0.930  0.020  1.080
 CZN  C9   C8    single    1.495  0.020  1.495
 CZN  C9   N1    double    1.270  0.020  1.270
 CZN  C8   N7    single    1.446  0.020  1.446
 CZN  C8   C29   single    1.546  0.020  1.546
 CZN  C8   H8    single    0.970  0.020  1.090
 CZN  N7   C6    single    1.379  0.020  1.379
 CZN  N7   HN7   single    0.890  0.020  1.040
 CZN  C6   C22   single    1.469  0.020  1.469
 CZN  C22  C23   aromatic  1.396  0.020  1.396
 CZN  C22  C27   aromatic  1.394  0.020  1.394
 CZN  C23  C24   aromatic  1.382  0.020  1.382
 CZN  C23  H23   single    0.930  0.020  1.080
 CZN  C24  C25   aromatic  1.395  0.020  1.395
 CZN  C24  H24   single    0.930  0.020  1.080
 CZN  C25  C26   aromatic  1.393  0.020  1.393
 CZN  C25  O28   single    1.345  0.020  1.345
 CZN  C26  C27   aromatic  1.385  0.020  1.385
 CZN  C26  H26   single    0.930  0.020  1.080
 CZN  C27  H27   single    0.930  0.020  1.080
 CZN  O28  H28   single    0.850  0.020  0.980
 CZN  C29  C30   single    1.501  0.020  1.501
 CZN  C29  H291  single    0.970  0.020  1.090
 CZN  C29  H292  single    0.970  0.020  1.090
 CZN  C30  C31   aromatic  1.393  0.020  1.393
 CZN  C30  C35   aromatic  1.392  0.020  1.392
 CZN  C31  C32   aromatic  1.387  0.020  1.387
 CZN  C31  H31   single    0.930  0.020  1.080
 CZN  C32  C33   aromatic  1.389  0.020  1.389
 CZN  C32  H32   single    0.930  0.020  1.080
 CZN  C33  C34   aromatic  1.389  0.020  1.389
 CZN  C33  H33   single    0.930  0.020  1.080
 CZN  C34  C35   aromatic  1.391  0.020  1.391
 CZN  C34  H34   single    0.930  0.020  1.080
 CZN  C35  H35   single    0.930  0.020  1.080
 CZN  N1   C2    single    1.446  0.020  1.446
 CZN  C2   O36   single    1.398  0.020  1.398
 CZN  C2   C10   single    1.533  0.020  1.533
 CZN  O36  O37   single    1.405  0.020  1.405
 CZN  O37  H37   single    0.850  0.020  0.980
 CZN  C10  C11   single    1.503  0.020  1.503
 CZN  C10  H101  single    0.970  0.020  1.090
 CZN  C10  H102  single    0.970  0.020  1.090
 CZN  C11  C12   aromatic  1.371  0.020  1.371
 CZN  C11  C20   aromatic  1.415  0.020  1.415
 CZN  C12  C13   aromatic  1.413  0.020  1.413
 CZN  C12  H12   single    0.930  0.020  1.080
 CZN  C13  C14   aromatic  1.416  0.020  1.416
 CZN  C13  C18   aromatic  1.419  0.020  1.419
 CZN  C14  C15   aromatic  1.368  0.020  1.368
 CZN  C14  H14   single    0.930  0.020  1.080
 CZN  C18  C19   aromatic  1.414  0.020  1.414
 CZN  C18  C17   aromatic  1.415  0.020  1.415
 CZN  C19  C20   aromatic  1.367  0.020  1.367
 CZN  C19  H19   single    0.930  0.020  1.080
 CZN  C20  H20   single    0.930  0.020  1.080
 CZN  C17  C16   aromatic  1.368  0.020  1.368
 CZN  C17  H17   single    0.930  0.020  1.080
 CZN  C16  C15   aromatic  1.412  0.020  1.412
 CZN  C16  H16   single    0.930  0.020  1.080
 CZN  C15  H15   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
 CZN  C2    C3   N4    103.91  3.000
 CZN  C2    C3   O21   128.72  3.000
 CZN  N4    C3   O21   127.33  3.000
 CZN  C9    N4   C5    122.84  3.000
 CZN  C9    N4   C3    108.19  3.000
 CZN  C5    N4   C3    128.93  3.000
 CZN  H5    C5   C6    124.92  3.000
 CZN  H5    C5   N4    117.52  3.000
 CZN  C6    C5   N4    117.54  3.000
 CZN  N1    C9   C8    127.48  3.000
 CZN  N1    C9   N4    116.04  3.000
 CZN  C8    C9   N4    116.45  3.000
 CZN  H8    C8   C29   109.16  3.000
 CZN  H8    C8   N7    108.39  3.000
 CZN  C29   C8   N7    112.42  3.000
 CZN  H8    C8   C9    107.91  3.000
 CZN  C29   C8   C9    111.30  3.000
 CZN  N7    C8   C9    107.51  3.000
 CZN  HN7   N7   C6    117.85  3.000
 CZN  HN7   N7   C8    115.90  3.000
 CZN  C6    N7   C8    119.27  3.000
 CZN  C22   C6   N7    118.67  3.000
 CZN  C22   C6   C5    122.22  3.000
 CZN  N7    C6   C5    119.11  3.000
 CZN  C27   C22  C23   118.02  3.000
 CZN  C27   C22  C6    121.06  3.000
 CZN  C23   C22  C6    120.92  3.000
 CZN  H23   C23  C24   118.97  3.000
 CZN  H23   C23  C22   119.71  3.000
 CZN  C24   C23  C22   121.32  3.000
 CZN  H24   C24  C25   119.81  3.000
 CZN  H24   C24  C23   120.17  3.000
 CZN  C25   C24  C23   120.01  3.000
 CZN  O28   C25  C26   122.80  3.000
 CZN  O28   C25  C24   117.85  3.000
 CZN  C26   C25  C24   119.35  3.000
 CZN  H26   C26  C27   119.55  3.000
 CZN  H26   C26  C25   120.38  3.000
 CZN  C27   C26  C25   120.07  3.000
 CZN  H27   C27  C26   118.34  3.000
 CZN  H27   C27  C22   120.42  3.000
 CZN  C26   C27  C22   121.22  3.000
 CZN  H28   O28  C25   110.63  3.000
 CZN  H292  C29  H291  106.62  3.000
 CZN  H292  C29  C30   109.88  3.000
 CZN  H291  C29  C30   110.54  3.000
 CZN  H292  C29  C8    109.35  3.000
 CZN  H291  C29  C8    106.51  3.000
 CZN  C30   C29  C8    113.65  3.000
 CZN  C35   C30  C31   118.56  3.000
 CZN  C35   C30  C29   120.45  3.000
 CZN  C31   C30  C29   120.97  3.000
 CZN  H31   C31  C32   119.39  3.000
 CZN  H31   C31  C30   119.81  3.000
 CZN  C32   C31  C30   120.80  3.000
 CZN  H32   C32  C33   119.96  3.000
 CZN  H32   C32  C31   119.82  3.000
 CZN  C33   C32  C31   120.22  3.000
 CZN  H33   C33  C34   120.22  3.000
 CZN  H33   C33  C32   120.24  3.000
 CZN  C34   C33  C32   119.54  3.000
 CZN  H34   C34  C35   119.84  3.000
 CZN  H34   C34  C33   120.17  3.000
 CZN  C35   C34  C33   119.99  3.000
 CZN  H35   C35  C34   119.72  3.000
 CZN  H35   C35  C30   119.41  3.000
 CZN  C34   C35  C30   120.88  3.000
 CZN  C2    N1   C9    106.44  3.000
 CZN  C10   C2   O36   106.62  3.000
 CZN  C10   C2   N1    111.33  3.000
 CZN  O36   C2   N1    112.01  3.000
 CZN  C10   C2   C3    110.12  3.000
 CZN  O36   C2   C3    111.56  3.000
 CZN  N1    C2   C3    105.28  3.000
 CZN  O37   O36  C2    108.45  3.000
 CZN  H37   O37  O36   103.46  3.000
 CZN  H102  C10  H101  106.85  3.000
 CZN  H102  C10  C11   110.49  3.000
 CZN  H101  C10  C11   110.74  3.000
 CZN  H102  C10  C2    107.57  3.000
 CZN  H101  C10  C2    108.37  3.000
 CZN  C11   C10  C2    112.60  3.000
 CZN  C20   C11  C12   118.96  3.000
 CZN  C20   C11  C10   119.97  3.000
 CZN  C12   C11  C10   121.06  3.000
 CZN  H12   C12  C13   118.64  3.000
 CZN  H12   C12  C11   119.91  3.000
 CZN  C13   C12  C11   121.45  3.000
 CZN  C18   C13  C14   118.95  3.000
 CZN  C18   C13  C12   119.16  3.000
 CZN  C14   C13  C12   121.89  3.000
 CZN  H14   C14  C15   120.32  3.000
 CZN  H14   C14  C13   119.01  3.000
 CZN  C15   C14  C13   120.67  3.000
 CZN  C17   C18  C19   122.27  3.000
 CZN  C17   C18  C13   119.13  3.000
 CZN  C19   C18  C13   118.60  3.000
 CZN  H19   C19  C20   120.12  3.000
 CZN  H19   C19  C18   119.12  3.000
 CZN  C20   C19  C18   120.76  3.000
 CZN  H20   C20  C19   119.64  3.000
 CZN  H20   C20  C11   119.28  3.000
 CZN  C19   C20  C11   121.08  3.000
 CZN  H17   C17  C16   120.34  3.000
 CZN  H17   C17  C18   119.03  3.000
 CZN  C16   C17  C18   120.62  3.000
 CZN  H16   C16  C15   119.57  3.000
 CZN  H16   C16  C17   120.14  3.000
 CZN  C15   C16  C17   120.29  3.000
 CZN  H15   C15  C16   119.53  3.000
 CZN  H15   C15  C14   120.13  3.000
 CZN  C16   C15  C14   120.34  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
 CZN  CONST_01  C25  C24  C23  C22     0.00   0.0  0
 CZN  CONST_02  C25  C26  C27  C22     0.00   0.0  0
 CZN  CONST_03  C26  C27  C22  C23     0.00   0.0  0
 CZN  CONST_04  C26  C25  C24  C23     0.00   0.0  0
 CZN  CONST_05  C27  C22  C23  C24     0.00   0.0  0
 CZN  CONST_06  C27  C26  C25  C24     0.00   0.0  0
 CZN  CONST_07  C33  C32  C31  C30     0.00   0.0  0
 CZN  CONST_08  C33  C34  C35  C30     0.00   0.0  0
 CZN  CONST_09  C34  C35  C30  C31     0.00   0.0  0
 CZN  CONST_10  C34  C33  C32  C31     0.00   0.0  0
 CZN  CONST_11  C35  C30  C31  C32     0.00   0.0  0
 CZN  CONST_12  C35  C34  C33  C32     0.00   0.0  0
 CZN  CONST_13  C14  C13  C12  C11   180.00   0.0  0
 CZN  CONST_14  C18  C13  C12  C11     0.00   0.0  0
 CZN  CONST_15  C18  C19  C20  C11     0.00   0.0  0
 CZN  CONST_16  C19  C20  C11  C12     0.00   0.0  0
 CZN  CONST_17  C15  C14  C13  C12   180.00   0.0  0
 CZN  CONST_18  C19  C18  C13  C12     0.00   0.0  0
 CZN  CONST_19  C17  C18  C13  C12   180.00   0.0  0
 CZN  CONST_20  C20  C11  C12  C13     0.00   0.0  0
 CZN  CONST_21  C16  C15  C14  C13     0.00   0.0  0
 CZN  CONST_22  C20  C19  C18  C13     0.00   0.0  0
 CZN  CONST_23  C16  C17  C18  C13     0.00   0.0  0
 CZN  CONST_24  C19  C18  C13  C14   180.00   0.0  0
 CZN  CONST_25  C17  C18  C13  C14     0.00   0.0  0
 CZN  CONST_26  C17  C16  C15  C14     0.00   0.0  0
 CZN  CONST_27  C15  C14  C13  C18     0.00   0.0  0
 CZN  CONST_28  C15  C16  C17  C18     0.00   0.0  0
 CZN  CONST_29  C16  C17  C18  C19   180.00   0.0  0
 CZN  CONST_30  C17  C18  C19  C20   180.00   0.0  0
 CZN  CONST_31  C24  C23  C22  C6    180.00   0.0  0
 CZN  CONST_32  C26  C27  C22  C6    180.00   0.0  0
 CZN  CONST_33  C8   C9   N4   C3    180.00   0.0  0
 CZN  CONST_34  N1   C9   N4   C3      0.00   0.0  0
 CZN  CONST_35  C2   N1   C9   N4      0.00   0.0  0
 CZN  CONST_36  C2   C3   N4   C5    180.00   0.0  0
 CZN  CONST_37  C8   C9   N4   C5      0.00   0.0  0
 CZN  CONST_38  N1   C9   N4   C5    180.00   0.0  0
 CZN  CONST_39  C2   C3   N4   C9      0.00   0.0  0
 CZN  CONST_40  C2   N1   C9   C8    180.00   0.0  0
 CZN  CONST_41  O28  C25  C24  C23   180.00   0.0  0
 CZN  CONST_42  O28  C25  C26  C27   180.00   0.0  0
 CZN  CONST_43  C32  C31  C30  C29   180.00   0.0  0
 CZN  CONST_44  C34  C35  C30  C29   180.00   0.0  0
 CZN  CONST_45  C13  C12  C11  C10   180.00   0.0  0
 CZN  CONST_46  C19  C20  C11  C10   180.00   0.0  0
 CZN  CONST_47  C5   N4   C3   O21     0.00   0.0  0
 CZN  CONST_48  C9   N4   C3   O21   180.00   0.0  0
 CZN  CONST_49  H23  C23  C22  C6      0.00   0.0  0
 CZN  CONST_50  H27  C27  C22  C6      0.00   0.0  0
 CZN  CONST_51  H24  C24  C23  C22   180.00   0.0  0
 CZN  CONST_52  H26  C26  C27  C22   180.00   0.0  0
 CZN  CONST_53  H32  C32  C31  C30   180.00   0.0  0
 CZN  CONST_54  H34  C34  C35  C30   180.00   0.0  0
 CZN  CONST_55  H35  C35  C30  C31   180.00   0.0  0
 CZN  CONST_56  H33  C33  C32  C31   180.00   0.0  0
 CZN  CONST_57  H31  C31  C32  C33   180.00   0.0  0
 CZN  CONST_58  H19  C19  C20  C11   180.00   0.0  0
 CZN  CONST_59  H20  C20  C11  C12   180.00   0.0  0
 CZN  CONST_60  H14  C14  C13  C12     0.00   0.0  0
 CZN  CONST_61  H15  C15  C14  C13   180.00   0.0  0
 CZN  CONST_62  H17  C17  C18  C13   180.00   0.0  0
 CZN  CONST_63  H12  C12  C13  C14     0.00   0.0  0
 CZN  CONST_64  H16  C16  C15  C14   180.00   0.0  0
 CZN  Var_01    C6   C5   N4   C3   -162.04  30.0  1
 CZN  Var_02    N7   C6   C5   N4     -2.38  30.0  1
 CZN  Var_03    C8   N7   C6   C5    -31.67  30.0  1
 CZN  Var_04    C23  C22  C6   C5    -37.34  30.0  2
 CZN  Var_05    C31  C30  C29  C8     65.24  30.0  2
 CZN  Var_06    C12  C11  C10  C2    -87.92  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
 CZN  chir_01  C8  C9  N7   C29  negativ
 CZN  chir_02  C2  N1  C10  C3   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
 CZN  plan-1  C6   0.020
 CZN  plan-1  C22  0.020
 CZN  plan-1  C23  0.020
 CZN  plan-1  C24  0.020
 CZN  plan-1  C25  0.020
 CZN  plan-1  C26  0.020
 CZN  plan-1  C27  0.020
 CZN  plan-1  O28  0.020
 CZN  plan-1  H23  0.020
 CZN  plan-1  H24  0.020
 CZN  plan-1  H26  0.020
 CZN  plan-1  H27  0.020
 CZN  plan-2  C29  0.020
 CZN  plan-2  C30  0.020
 CZN  plan-2  C31  0.020
 CZN  plan-2  C32  0.020
 CZN  plan-2  C33  0.020
 CZN  plan-2  C34  0.020
 CZN  plan-2  C35  0.020
 CZN  plan-2  H31  0.020
 CZN  plan-2  H32  0.020
 CZN  plan-2  H33  0.020
 CZN  plan-2  H34  0.020
 CZN  plan-2  H35  0.020
 CZN  plan-3  C10  0.020
 CZN  plan-3  C11  0.020
 CZN  plan-3  C12  0.020
 CZN  plan-3  C13  0.020
 CZN  plan-3  C14  0.020
 CZN  plan-3  C18  0.020
 CZN  plan-3  C19  0.020
 CZN  plan-3  C20  0.020
 CZN  plan-3  C17  0.020
 CZN  plan-3  C16  0.020
 CZN  plan-3  C15  0.020
 CZN  plan-3  H12  0.020
 CZN  plan-3  H14  0.020
 CZN  plan-3  H19  0.020
 CZN  plan-3  H20  0.020
 CZN  plan-3  H17  0.020
 CZN  plan-3  H16  0.020
 CZN  plan-3  H15  0.020
 CZN  plan-4  O21  0.020
 CZN  plan-4  C3   0.020
 CZN  plan-4  N4   0.020
 CZN  plan-4  C5   0.020
 CZN  plan-4  C9   0.020
 CZN  plan-4  C8   0.020
 CZN  plan-4  N1   0.020
 CZN  plan-4  C2   0.020
 CZN  plan-5  C8   0.020
 CZN  plan-5  N7   0.020
 CZN  plan-5  C6   0.020
 CZN  plan-5  HN7  0.020

