# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr 15 01:53:54 2020
#   Inital geometry file: a 151 line input string
#   Ligand name: 3-{6-[(2-chlorophenyl)amino]-1H-indazol-3-yl}-5-{[4-(dimethylamino)butanoyl]amino}benzoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN(C)CCCC(=O)Nc1cc(cc(c1)c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)C(O)=O
#
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
 AIZ  AIZ  '3-{6-[(2-chlorophenyl)amino]-1H-indazol-3-yl}-5-{[4-(dimethylamino)butanoyl]amino}benzoic acid'  ligand  60  35  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_AIZ
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
 AIZ  C1    C   CR5    0   0.202  -0.2114   0.4242  -0.6649
 AIZ  C2    C   CR56   0  -0.135  -1.5624   0.6503  -0.2581
 AIZ  C3    C   CR6    0   0.115   0.9872   1.2130  -0.3654
 AIZ  N4    N   N      0  -0.262  -0.1364  -0.6718  -1.3854
 AIZ  C5    C   CR56   0   0.456  -2.2824  -0.4194  -0.8150
 AIZ  C6    C   CR16   0  -0.326  -2.2549   1.5763   0.5359
 AIZ  C7    C   CR16   0  -0.385   2.2222   0.5681  -0.2676
 AIZ  C8    C   CR16   0  -0.406   0.9042   2.5901  -0.1889
 AIZ  N9    N   NR15   0  -0.555  -1.3721  -1.1701  -1.4738
 AIZ  C10   C   CR16   0  -0.407  -3.6567  -0.6011  -0.6395
 AIZ  C11   C   CR16   0  -0.355  -3.6059   1.4238   0.7090
 AIZ  C12   C   CR6    0   0.424   3.3688   1.3075   0.0077
 AIZ  C13   C   CR6    0  -0.066   2.0447   3.3354   0.0920
 AIZ  C14   C   CR6    0   0.368  -4.3222   0.3436   0.1232
 AIZ  C15   C   CR16   0  -0.415   3.2661   2.6888   0.1879
 AIZ  N16   N   NH1    0  -0.755   4.6471   0.7543   0.1362
 AIZ  C17   C   C      0   0.407   1.9565   4.8469   0.2828
 AIZ  N18   N   NH1    0  -0.801  -5.6762   0.2830   0.3987
 AIZ  C19   C   C      0   0.557   5.0697  -0.5196  -0.0787
 AIZ  O20   O   OC    -1  -0.590   3.0256   5.4433   0.5122
 AIZ  C21   C   CR6    0   0.434  -6.6376  -0.4877  -0.2274
 AIZ  C22   C   CH2    0  -0.596   6.5613  -0.6926   0.1230
 AIZ  O23   O   O      0  -0.469   4.3343  -1.4325  -0.4076
 AIZ  C24   C   CR6    0  -0.141  -7.7213  -0.9972   0.4992
 AIZ  C25   C   CR16   0  -0.327  -6.6110  -0.7475  -1.6014
 AIZ  C26   C   CH2    0  -0.442   7.0310  -2.1335   0.0146
 AIZ  C27   C   CR16   0  -0.211  -8.7251  -1.7353  -0.1058
 AIZ  CL28  CL  CL     0  -0.121  -7.8162  -0.6968   2.2067
 AIZ  C29   C   CR16   0  -0.242  -7.5999  -1.5035  -2.2064
 AIZ  C30   C   CH2    0  -0.250   8.5328  -2.2253   0.2518
 AIZ  C31   C   CR16   0  -0.283  -8.6625  -2.0017  -1.4643
 AIZ  N32   N   NT     0  -0.408   9.0795  -3.5464   0.0056
 AIZ  C33   C   CH3    0  -0.519  10.5259  -3.5120  -0.0006
 AIZ  C34   C   CH3    0  -0.527   8.5995  -4.5344   0.9482
 AIZ  O35   O   O      0  -0.589   0.8218   5.3514   0.1925
 AIZ  H6    H   HCR6   0   0.254  -1.7476   2.4040   1.0127
 AIZ  H7    H   HCR6   0   0.271   2.2718  -0.5005  -0.3952
 AIZ  H8    H   HCR6   0   0.237  -0.0412   3.1040  -0.2952
 AIZ  HN9   H   HNR5   0   0.415  -1.5307  -2.0132  -2.0003
 AIZ  H10   H   HCR6   0   0.286  -4.1586  -1.4589  -1.0647
 AIZ  H11   H   HCR6   0   0.267  -4.1513   2.1414   1.3098
 AIZ  H15   H   HCR6   0   0.258   4.1545   3.2705   0.4042
 AIZ  H16   H   HNH1   0   0.415   5.3655   1.4153   0.3930
 AIZ  H18   H   HNH1   0   0.397  -5.9727   0.7841   1.2209
 AIZ  H221  H   HCH2   0   0.269   6.8329  -0.2750   1.0980
 AIZ  H222  H   HCH2   0   0.275   7.0754  -0.0709  -0.6182
 AIZ  H25   H   HCR6   0   0.288  -5.8126  -0.3351  -2.2033
 AIZ  H261  H   HCH2   0   0.229   6.8042  -2.5320  -0.9766
 AIZ  H262  H   HCH2   0   0.234   6.4890  -2.7468   0.7371
 AIZ  H27   H   HCR6   0   0.279  -9.5466  -2.1106   0.4896
 AIZ  H29   H   HCR6   0   0.264  -7.5455  -1.6883  -3.2709
 AIZ  H301  H   HCH2   0   0.185   8.7643  -1.8735   1.2741
 AIZ  H302  H   HCH2   0   0.225   9.0338  -1.5295  -0.4283
 AIZ  H31   H   HCR6   0   0.264  -9.4402  -2.5872  -1.9349
 AIZ  H331  H   HCH3   0   0.231  10.9221  -4.4975  -0.2510
 AIZ  H332  H   HCH3   0   0.231  10.8828  -2.8078  -0.7539
 AIZ  H333  H   HCH3   0   0.189  10.9609  -3.2157   0.9677
 AIZ  H341  H   HCH3   0   0.236   7.5171  -4.6436   0.8863
 AIZ  H342  H   HCH3   0   0.233   9.0365  -5.5066   0.7158
 AIZ  H343  H   HCH3   0   0.189   8.8547  -4.2945   1.9934

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
 AIZ  C1   C2    aromatic  1.429  0.020  1.429
 AIZ  C1   C3    single    1.466  0.020  1.466
 AIZ  C1   N4    aromatic  1.314  0.020  1.314
 AIZ  C2   C5    aromatic  1.405  0.020  1.405
 AIZ  C2   C6    aromatic  1.403  0.020  1.403
 AIZ  C3   C7    aromatic  1.397  0.020  1.397
 AIZ  C3   C8    aromatic  1.391  0.020  1.391
 AIZ  N4   N9    aromatic  1.335  0.020  1.335
 AIZ  C5   N9    aromatic  1.351  0.020  1.351
 AIZ  C5   C10   aromatic  1.397  0.020  1.397
 AIZ  C6   C11   aromatic  1.371  0.020  1.371
 AIZ  C6   H6    single    0.930  0.020  1.080
 AIZ  C7   C12   aromatic  1.392  0.020  1.392
 AIZ  C7   H7    single    0.930  0.020  1.080
 AIZ  C8   C13   aromatic  1.391  0.020  1.391
 AIZ  C8   H8    single    0.930  0.020  1.080
 AIZ  N9   HN9   single    0.860  0.020  1.020
 AIZ  C10  C14   aromatic  1.385  0.020  1.385
 AIZ  C10  H10   single    0.930  0.020  1.080
 AIZ  C11  C14   aromatic  1.422  0.020  1.422
 AIZ  C11  H11   single    0.930  0.020  1.080
 AIZ  C12  C15   aromatic  1.397  0.020  1.397
 AIZ  C12  N16   single    1.399  0.020  1.399
 AIZ  C13  C15   aromatic  1.385  0.020  1.385
 AIZ  C13  C17   single    1.526  0.020  1.526
 AIZ  C14  N18   single    1.383  0.020  1.383
 AIZ  C15  H15   single    0.930  0.020  1.080
 AIZ  N16  C19   single    1.359  0.020  1.359
 AIZ  N16  H16   single    0.860  0.020  1.020
 AIZ  C17  O20   deloc     1.246  0.020  1.246
 AIZ  C17  O35   deloc     1.245  0.020  1.245
 AIZ  N18  C21   single    1.382  0.020  1.382
 AIZ  N18  H18   single    0.860  0.020  1.020
 AIZ  C19  C22   single    1.515  0.020  1.515
 AIZ  C19  O23   double    1.218  0.020  1.218
 AIZ  C21  C24   aromatic  1.401  0.020  1.401
 AIZ  C21  C25   aromatic  1.399  0.020  1.399
 AIZ  C22  C26   single    1.519  0.020  1.519
 AIZ  C22  H221  single    0.970  0.020  1.090
 AIZ  C22  H222  single    0.970  0.020  1.090
 AIZ  C24  C27   aromatic  1.385  0.020  1.385
 AIZ  C24  CL28  single    1.736  0.020  1.736
 AIZ  C25  C29   aromatic  1.384  0.020  1.384
 AIZ  C25  H25   single    0.930  0.020  1.080
 AIZ  C26  C30   single    1.523  0.020  1.523
 AIZ  C26  H261  single    0.970  0.020  1.090
 AIZ  C26  H262  single    0.970  0.020  1.090
 AIZ  C27  C31   aromatic  1.386  0.020  1.386
 AIZ  C27  H27   single    0.930  0.020  1.080
 AIZ  C29  C31   aromatic  1.388  0.020  1.388
 AIZ  C29  H29   single    0.930  0.020  1.080
 AIZ  C30  N32   single    1.451  0.020  1.451
 AIZ  C30  H301  single    0.970  0.020  1.090
 AIZ  C30  H302  single    0.970  0.020  1.090
 AIZ  C31  H31   single    0.930  0.020  1.080
 AIZ  N32  C33   single    1.447  0.020  1.447
 AIZ  N32  C34   single    1.447  0.020  1.447
 AIZ  C33  H331  single    0.970  0.020  1.090
 AIZ  C33  H332  single    0.970  0.020  1.090
 AIZ  C33  H333  single    0.970  0.020  1.090
 AIZ  C34  H341  single    0.970  0.020  1.090
 AIZ  C34  H342  single    0.970  0.020  1.090
 AIZ  C34  H343  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
 AIZ  N4    C1   C3    120.95  3.000
 AIZ  N4    C1   C2    110.00  3.000
 AIZ  C3    C1   C2    129.04  3.000
 AIZ  C6    C2   C5    118.31  3.000
 AIZ  C6    C2   C1    137.09  3.000
 AIZ  C5    C2   C1    104.55  3.000
 AIZ  C8    C3   C7    120.07  3.000
 AIZ  C8    C3   C1    120.66  3.000
 AIZ  C7    C3   C1    119.27  3.000
 AIZ  N9    N4   C1    107.15  3.000
 AIZ  C10   C5   N9    130.66  3.000
 AIZ  C10   C5   C2    123.60  3.000
 AIZ  N9    C5   C2    105.73  3.000
 AIZ  H6    C6   C11   119.47  3.000
 AIZ  H6    C6   C2    121.54  3.000
 AIZ  C11   C6   C2    118.99  3.000
 AIZ  H7    C7   C12   120.83  3.000
 AIZ  H7    C7   C3    119.37  3.000
 AIZ  C12   C7   C3    119.80  3.000
 AIZ  H8    C8   C13   118.82  3.000
 AIZ  H8    C8   C3    120.68  3.000
 AIZ  C13   C8   C3    120.48  3.000
 AIZ  HN9   N9   C5    127.90  3.000
 AIZ  HN9   N9   N4    119.53  3.000
 AIZ  C5    N9   N4    112.57  3.000
 AIZ  H10   C10  C14   122.34  3.000
 AIZ  H10   C10  C5    120.69  3.000
 AIZ  C14   C10  C5    116.95  3.000
 AIZ  H11   C11  C14   118.55  3.000
 AIZ  H11   C11  C6    119.51  3.000
 AIZ  C14   C11  C6    121.93  3.000
 AIZ  N16   C12  C15   116.52  3.000
 AIZ  N16   C12  C7    124.12  3.000
 AIZ  C15   C12  C7    119.36  3.000
 AIZ  C17   C13  C15   120.31  3.000
 AIZ  C17   C13  C8    120.57  3.000
 AIZ  C15   C13  C8    119.12  3.000
 AIZ  N18   C14  C11   116.38  3.000
 AIZ  N18   C14  C10   123.39  3.000
 AIZ  C11   C14  C10   120.20  3.000
 AIZ  H15   C15  C13   119.08  3.000
 AIZ  H15   C15  C12   119.76  3.000
 AIZ  C13   C15  C12   121.16  3.000
 AIZ  H16   N16  C19   115.64  3.000
 AIZ  H16   N16  C12   114.50  3.000
 AIZ  C19   N16  C12   129.81  3.000
 AIZ  O35   C17  O20   126.98  3.000
 AIZ  O35   C17  C13   116.42  3.000
 AIZ  O20   C17  C13   116.59  3.000
 AIZ  H18   N18  C21   116.25  3.000
 AIZ  H18   N18  C14   115.40  3.000
 AIZ  C21   N18  C14   127.97  3.000
 AIZ  O23   C19  C22   123.02  3.000
 AIZ  O23   C19  N16   123.89  3.000
 AIZ  C22   C19  N16   113.08  3.000
 AIZ  C25   C21  C24   117.18  3.000
 AIZ  C25   C21  N18   122.37  3.000
 AIZ  C24   C21  N18   120.40  3.000
 AIZ  H222  C22  H221  105.64  3.000
 AIZ  H222  C22  C26   110.17  3.000
 AIZ  H221  C22  C26   110.40  3.000
 AIZ  H222  C22  C19   107.89  3.000
 AIZ  H221  C22  C19   108.62  3.000
 AIZ  C26   C22  C19   113.78  3.000
 AIZ  CL28  C24  C27   118.82  3.000
 AIZ  CL28  C24  C21   119.31  3.000
 AIZ  C27   C24  C21   121.87  3.000
 AIZ  H25   C25  C29   119.50  3.000
 AIZ  H25   C25  C21   119.34  3.000
 AIZ  C29   C25  C21   121.15  3.000
 AIZ  H262  C26  H261  107.01  3.000
 AIZ  H262  C26  C30   110.65  3.000
 AIZ  H261  C26  C30   108.91  3.000
 AIZ  H262  C26  C22   109.39  3.000
 AIZ  H261  C26  C22   110.27  3.000
 AIZ  C30   C26  C22   110.54  3.000
 AIZ  H27   C27  C31   120.47  3.000
 AIZ  H27   C27  C24   119.66  3.000
 AIZ  C31   C27  C24   119.86  3.000
 AIZ  H29   C29  C31   120.20  3.000
 AIZ  H29   C29  C25   119.18  3.000
 AIZ  C31   C29  C25   120.61  3.000
 AIZ  H302  C30  H301  106.05  3.000
 AIZ  H302  C30  N32   107.51  3.000
 AIZ  H301  C30  N32   111.58  3.000
 AIZ  H302  C30  C26   108.44  3.000
 AIZ  H301  C30  C26   109.34  3.000
 AIZ  N32   C30  C26   113.58  3.000
 AIZ  H31   C31  C29   120.81  3.000
 AIZ  H31   C31  C27   119.88  3.000
 AIZ  C29   C31  C27   119.31  3.000
 AIZ  C34   N32  C33   110.52  3.000
 AIZ  C34   N32  C30   112.71  3.000
 AIZ  C33   N32  C30   110.84  3.000
 AIZ  H333  C33  H332  107.69  3.000
 AIZ  H333  C33  H331  107.53  3.000
 AIZ  H332  C33  H331  107.80  3.000
 AIZ  H333  C33  N32   113.40  3.000
 AIZ  H332  C33  N32   110.20  3.000
 AIZ  H331  C33  N32   110.03  3.000
 AIZ  H343  C34  H342  107.65  3.000
 AIZ  H343  C34  H341  107.80  3.000
 AIZ  H342  C34  H341  107.24  3.000
 AIZ  H343  C34  N32   113.10  3.000
 AIZ  H342  C34  N32   109.68  3.000
 AIZ  H341  C34  N32   111.15  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
 AIZ  CONST_01  N9    C5   C2   C1       0.00   0.0  0
 AIZ  CONST_02  C10   C5   C2   C1     180.00   0.0  0
 AIZ  CONST_03  C11   C6   C2   C1     180.00   0.0  0
 AIZ  CONST_04  C12   C7   C3   C1     180.00   0.0  0
 AIZ  CONST_05  C13   C8   C3   C1     180.00   0.0  0
 AIZ  CONST_06  C5    N9   N4   C1       0.00   0.0  0
 AIZ  CONST_09  N9    N4   C1   C2       0.00   0.0  0
 AIZ  CONST_10  N4    N9   C5   C2       0.00   0.0  0
 AIZ  CONST_11  C14   C10  C5   C2       0.00   0.0  0
 AIZ  CONST_12  C14   C11  C6   C2       0.00   0.0  0
 AIZ  CONST_13  C5    C2   C1   C3     180.00   0.0  0
 AIZ  CONST_14  C6    C2   C1   C3       0.00   0.0  0
 AIZ  CONST_15  N9    N4   C1   C3     180.00   0.0  0
 AIZ  CONST_16  C15   C12  C7   C3       0.00   0.0  0
 AIZ  CONST_17  C15   C13  C8   C3       0.00   0.0  0
 AIZ  CONST_18  C5    C2   C1   N4       0.00   0.0  0
 AIZ  CONST_19  C6    C2   C1   N4     180.00   0.0  0
 AIZ  CONST_22  C10   C5   N9   N4     180.00   0.0  0
 AIZ  CONST_23  C11   C6   C2   C5       0.00   0.0  0
 AIZ  CONST_24  C11   C14  C10  C5       0.00   0.0  0
 AIZ  CONST_25  N9    C5   C2   C6     180.00   0.0  0
 AIZ  CONST_26  C10   C5   C2   C6       0.00   0.0  0
 AIZ  CONST_27  C10   C14  C11  C6       0.00   0.0  0
 AIZ  CONST_28  C13   C8   C3   C7       0.00   0.0  0
 AIZ  CONST_29  C13   C15  C12  C7       0.00   0.0  0
 AIZ  CONST_30  C12   C7   C3   C8       0.00   0.0  0
 AIZ  CONST_31  C12   C15  C13  C8       0.00   0.0  0
 AIZ  CONST_32  C14   C10  C5   N9     180.00   0.0  0
 AIZ  CONST_33  C31   C27  C24  C21      0.00   0.0  0
 AIZ  CONST_34  C31   C29  C25  C21      0.00   0.0  0
 AIZ  CONST_35  C29   C25  C21  C24      0.00   0.0  0
 AIZ  CONST_36  C29   C31  C27  C24      0.00   0.0  0
 AIZ  CONST_37  C27   C24  C21  C25      0.00   0.0  0
 AIZ  CONST_38  C27   C31  C29  C25      0.00   0.0  0
 AIZ  CONST_39  N16   C12  C7   C3     180.00   0.0  0
 AIZ  CONST_40  C17   C13  C8   C3     180.00   0.0  0
 AIZ  CONST_41  N18   C14  C10  C5     180.00   0.0  0
 AIZ  CONST_42  N18   C14  C11  C6     180.00   0.0  0
 AIZ  CONST_43  C17   C13  C15  C12    180.00   0.0  0
 AIZ  CONST_44  N16   C12  C15  C13    180.00   0.0  0
 AIZ  CONST_45  C27   C24  C21  N18    180.00   0.0  0
 AIZ  CONST_46  C29   C25  C21  N18    180.00   0.0  0
 AIZ  CONST_47  CL28  C24  C21  C25    180.00   0.0  0
 AIZ  CONST_48  C31   C27  C24  CL28   180.00   0.0  0
 AIZ  CONST_49  H6    C6   C2   C1       0.00   0.0  0
 AIZ  CONST_50  H7    C7   C3   C1       0.00   0.0  0
 AIZ  CONST_51  H8    C8   C3   C1       0.00   0.0  0
 AIZ  CONST_52  HN9   N9   N4   C1     180.00   0.0  0
 AIZ  CONST_53  H10   C10  C5   C2     180.00   0.0  0
 AIZ  CONST_54  H11   C11  C6   C2     180.00   0.0  0
 AIZ  CONST_55  H15   C15  C12  C7     180.00   0.0  0
 AIZ  CONST_56  H27   C27  C24  C21    180.00   0.0  0
 AIZ  CONST_57  H29   C29  C25  C21    180.00   0.0  0
 AIZ  CONST_58  H25   C25  C21  C24    180.00   0.0  0
 AIZ  CONST_59  H31   C31  C27  C24    180.00   0.0  0
 AIZ  CONST_60  C19   N16  C12  C7       0.00   0.0  0
 AIZ  CONST_61  C19   N16  C12  C15    180.00   0.0  0
 AIZ  CONST_62  H16   N16  C12  C7     180.00   0.0  0
 AIZ  CONST_63  C22   C19  N16  C12    180.00   0.0  0
 AIZ  CONST_64  O23   C19  N16  C12      0.00   0.0  0
 AIZ  Var_01    C21   N18  C14  C10    -15.52  30.0  2
 AIZ  Var_02    C24   C21  N18  C14    146.25  30.0  2
 AIZ  Var_03    O20   C17  C13  C8    -178.99  30.0  2
 AIZ  Var_04    C26   C22  C19  N16    174.59  30.0  3
 AIZ  Var_05    C30   C26  C22  C19   -179.06  30.0  3
 AIZ  Var_06    N32   C30  C26  C22   -172.98  30.0  3
 AIZ  Var_07    C33   N32  C30  C26    169.16  30.0  3
 AIZ  Var_08    H331  C33  N32  C30   -176.33  30.0  3
 AIZ  Var_09    H341  C34  N32  C30     61.34  30.0  3

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
 AIZ  plan-1  C1    0.020
 AIZ  plan-1  C3    0.020
 AIZ  plan-1  C7    0.020
 AIZ  plan-1  C8    0.020
 AIZ  plan-1  C12   0.020
 AIZ  plan-1  C13   0.020
 AIZ  plan-1  C15   0.020
 AIZ  plan-1  N16   0.020
 AIZ  plan-1  C17   0.020
 AIZ  plan-1  H7    0.020
 AIZ  plan-1  H8    0.020
 AIZ  plan-1  H15   0.020
 AIZ  plan-2  N18   0.020
 AIZ  plan-2  C21   0.020
 AIZ  plan-2  C24   0.020
 AIZ  plan-2  C25   0.020
 AIZ  plan-2  C27   0.020
 AIZ  plan-2  CL28  0.020
 AIZ  plan-2  C29   0.020
 AIZ  plan-2  C31   0.020
 AIZ  plan-2  H25   0.020
 AIZ  plan-2  H27   0.020
 AIZ  plan-2  H29   0.020
 AIZ  plan-2  H31   0.020
 AIZ  plan-3  C1    0.020
 AIZ  plan-3  C2    0.020
 AIZ  plan-3  C3    0.020
 AIZ  plan-3  N4    0.020
 AIZ  plan-3  C5    0.020
 AIZ  plan-3  C6    0.020
 AIZ  plan-3  N9    0.020
 AIZ  plan-3  C10   0.020
 AIZ  plan-3  C11   0.020
 AIZ  plan-3  C14   0.020
 AIZ  plan-3  N18   0.020
 AIZ  plan-3  H6    0.020
 AIZ  plan-3  HN9   0.020
 AIZ  plan-3  H10   0.020
 AIZ  plan-3  H11   0.020
 AIZ  plan-4  C12   0.020
 AIZ  plan-4  N16   0.020
 AIZ  plan-4  C19   0.020
 AIZ  plan-4  C22   0.020
 AIZ  plan-4  O23   0.020
 AIZ  plan-4  H16   0.020
 AIZ  plan-5  C13   0.020
 AIZ  plan-5  C17   0.020
 AIZ  plan-5  O20   0.020
 AIZ  plan-5  O35   0.020

