# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Mar  9 09:06:48 2022
#   Inital geometry file: a 155 line input string
#   Ligand name: (2S,3R)-2-(4-{2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@@H]1CN(CCOc2ccc(cc2)[C@@H]3Oc4ccc(O)cc4S[C@@H]3c5ccc(O)cc5)C[C@H]1C
#
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
 AIU  AIU  (2S,3R)-2-(4-{2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol  ligand  65  34  .  2022-03-11  2022-03-11
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_AIU
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
 AIU  C1    C  CH1   0  -0.551  -2.8869  -0.1294  -1.5333
 AIU  C2    C  CH1   0   0.008  -2.0630   0.9620  -0.8243
 AIU  O3    O  O2    0  -0.488  -2.5336   1.1795   0.4887
 AIU  C4    C  CR6   0   0.406  -3.7982   1.6544   0.6331
 AIU  C5    C  CR16  0  -0.334  -4.0727   2.3954   1.7747
 AIU  C6    C  CR16  0  -0.386  -5.3405   2.8938   2.0187
 AIU  C7    C  CR6   0   0.352  -6.3615   2.6630   1.0999
 AIU  O8    O  OH1   0  -0.636  -7.6177   3.1272   1.2709
 AIU  C9    C  CR16  0  -0.365  -6.0964   1.9221  -0.0436
 AIU  C10   C  CR6   0  -0.196  -4.8221   1.4111  -0.2817
 AIU  S11   S  S2    0   0.104  -4.5915   0.4740  -1.7521
 AIU  C12   C  CR6   0   0.185  -2.7967  -1.4778  -0.8766
 AIU  C13   C  CR16  0  -0.277  -3.5325  -1.8203   0.2550
 AIU  C14   C  CR16  0  -0.328  -3.3674  -3.0469   0.8751
 AIU  C15   C  CR6   0   0.343  -2.4559  -3.9707   0.3673
 AIU  O16   O  OH1   0  -0.633  -2.3326  -5.1514   1.0060
 AIU  C17   C  CR16  0  -0.371  -1.7229  -3.6486  -0.7703
 AIU  C18   C  CR16  0  -0.265  -1.8978  -2.4140  -1.3758
 AIU  C19   C  CR6   0   0.055  -0.6089   0.5966  -0.7413
 AIU  C20   C  CR16  0  -0.288   0.2657   1.0470  -1.7267
 AIU  C21   C  CR16  0  -0.339   1.6027   0.6959  -1.7153
 AIU  C22   C  CR6   0   0.381   2.1029  -0.1225  -0.7011
 AIU  C23   C  CR16  0  -0.370   1.2372  -0.5778   0.2918
 AIU  C24   C  CR16  0  -0.256  -0.1038  -0.2197   0.2621
 AIU  O25   O  O2    0  -0.468   3.4154  -0.4118  -0.7579
 AIU  C26   C  CH2   0  -0.212   3.9535  -1.3285   0.1794
 AIU  C27   C  CH2   0  -0.299   5.4225  -1.5182  -0.1226
 AIU  N28   N  NR5   0  -0.428   6.1968  -0.3108   0.0059
 AIU  C29   C  CH2   0  -0.239   7.5705  -0.4362  -0.4771
 AIU  C30   C  CR15  0  -0.254   8.4263   0.4648   0.4302
 AIU  C31   C  CH3   0  -0.667   9.4357   1.3130  -0.3243
 AIU  C32   C  CR15  0  -0.238   7.3936   1.2645   1.2340
 AIU  C33   C  CH3   0  -0.664   7.8948   1.7702   2.5736
 AIU  C34   C  CH2   0  -0.248   6.2411   0.2773   1.3301
 AIU  H1    H  HCH1  0   0.324  -2.5023  -0.2033  -2.5535
 AIU  H2    H  HCH1  0   0.267  -2.1606   1.8820  -1.4157
 AIU  H5    H  HCR6  0   0.272  -3.2756   2.5804   2.4842
 AIU  H6    H  HCR6  0   0.274  -5.5273   3.4683   2.9182
 AIU  HO8   H  HOH1  0   0.474  -7.6818   3.6192   2.0967
 AIU  H9    H  HCR6  0   0.273  -6.8951   1.7333  -0.7520
 AIU  H13   H  HCR6  0   0.251  -4.2630  -1.1358   0.6672
 AIU  H14   H  HCR6  0   0.262  -3.9491  -3.2940   1.7544
 AIU  H16   H  HOH1  0   0.474  -1.6841  -5.7079   0.5609
 AIU  H17   H  HCR6  0   0.268  -1.0142  -4.3556  -1.1865
 AIU  H18   H  HCR6  0   0.254  -1.3121  -2.1773  -2.2560
 AIU  H20   H  HCR6  0   0.252  -0.1018   1.6866  -2.5211
 AIU  H21   H  HCR6  0   0.260   2.2694   1.0593  -2.4872
 AIU  H23   H  HCR6  0   0.276   1.5845  -1.2124   1.0956
 AIU  H24   H  HCR6  0   0.257  -0.7521  -0.5966   1.0422
 AIU  H261  H  HCH2  0   0.239   3.4464  -2.2969   0.1053
 AIU  H262  H  HCH2  0   0.229   3.8095  -0.9641   1.2027
 AIU  H271  H  HCH2  0   0.243   5.5273  -1.8975  -1.1430
 AIU  H272  H  HCH2  0   0.201   5.7851  -2.3206   0.5441
 AIU  H291  H  HCH2  0   0.214   7.6316  -0.1330  -1.5284
 AIU  H292  H  HCH2  0   0.203   7.9302  -1.4728  -0.4280
 AIU  H30   H  HCR5  0   0.225   8.9657  -0.1747   1.1391
 AIU  H311  H  HCH3  0   0.218   8.9327   1.9798  -1.0285
 AIU  H312  H  HCH3  0   0.227  10.0286   1.9291   0.3536
 AIU  H313  H  HCH3  0   0.229  10.1317   0.6935  -0.8922
 AIU  H32   H  HCR5  0   0.221   7.0590   2.1173   0.6303
 AIU  H331  H  HCH3  0   0.216   8.2582   0.9462   3.1920
 AIU  H332  H  HCH3  0   0.229   8.7145   2.4791   2.4500
 AIU  H333  H  HCH3  0   0.228   7.1059   2.2805   3.1285
 AIU  H341  H  HCH2  0   0.229   5.2975   0.7667   1.5857
 AIU  H342  H  HCH2  0   0.180   6.4441  -0.4683   2.1205

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
 AIU  C1   C2    single    1.540  0.020  1.540
 AIU  C1   S11   single    1.821  0.020  1.821
 AIU  C1   C12   single    1.502  0.020  1.502
 AIU  C1   H1    single    0.970  0.020  1.090
 AIU  C2   O3    single    1.412  0.020  1.412
 AIU  C2   C19   single    1.502  0.020  1.502
 AIU  C2   H2    single    0.970  0.020  1.090
 AIU  O3   C4    single    1.358  0.020  1.358
 AIU  C4   C5    aromatic  1.388  0.020  1.388
 AIU  C4   C10   aromatic  1.394  0.020  1.394
 AIU  C5   C6    aromatic  1.384  0.020  1.384
 AIU  C5   H5    single    0.930  0.020  1.080
 AIU  C6   C7    aromatic  1.393  0.020  1.393
 AIU  C6   H6    single    0.930  0.020  1.080
 AIU  C7   O8    single    1.350  0.020  1.350
 AIU  C7   C9    aromatic  1.388  0.020  1.388
 AIU  O8   HO8   single    0.850  0.020  0.980
 AIU  C9   C10   aromatic  1.393  0.020  1.393
 AIU  C9   H9    single    0.930  0.020  1.080
 AIU  C10  S11   single    1.759  0.020  1.759
 AIU  C12  C13   aromatic  1.393  0.020  1.393
 AIU  C12  C18   aromatic  1.391  0.020  1.391
 AIU  C13  C14   aromatic  1.384  0.020  1.384
 AIU  C13  H13   single    0.930  0.020  1.080
 AIU  C14  C15   aromatic  1.394  0.020  1.394
 AIU  C14  H14   single    0.930  0.020  1.080
 AIU  C15  O16   single    1.348  0.020  1.348
 AIU  C15  C17   aromatic  1.391  0.020  1.391
 AIU  O16  H16   single    0.850  0.020  0.980
 AIU  C17  C18   aromatic  1.386  0.020  1.386
 AIU  C17  H17   single    0.930  0.020  1.080
 AIU  C18  H18   single    0.930  0.020  1.080
 AIU  C19  C20   aromatic  1.392  0.020  1.392
 AIU  C19  C24   aromatic  1.389  0.020  1.389
 AIU  C20  C21   aromatic  1.382  0.020  1.382
 AIU  C20  H20   single    0.930  0.020  1.080
 AIU  C21  C22   aromatic  1.396  0.020  1.396
 AIU  C21  H21   single    0.930  0.020  1.080
 AIU  C22  C23   aromatic  1.394  0.020  1.394
 AIU  C22  O25   single    1.345  0.020  1.345
 AIU  C23  C24   aromatic  1.388  0.020  1.388
 AIU  C23  H23   single    0.930  0.020  1.080
 AIU  C24  H24   single    0.930  0.020  1.080
 AIU  O25  C26   single    1.417  0.020  1.417
 AIU  C26  C27   single    1.512  0.020  1.512
 AIU  C26  H261  single    0.970  0.020  1.090
 AIU  C26  H262  single    0.970  0.020  1.090
 AIU  C27  N28   single    1.440  0.020  1.440
 AIU  C27  H271  single    0.970  0.020  1.090
 AIU  C27  H272  single    0.970  0.020  1.090
 AIU  N28  C29   single    1.462  0.020  1.462
 AIU  N28  C34   single    1.450  0.020  1.450
 AIU  C29  C30   single    1.539  0.020  1.539
 AIU  C29  H291  single    0.970  0.020  1.090
 AIU  C29  H292  single    0.970  0.020  1.090
 AIU  C30  C31   single    1.519  0.020  1.519
 AIU  C30  C32   single    1.534  0.020  1.534
 AIU  C30  H30   single    0.970  0.020  1.090
 AIU  C31  H311  single    0.970  0.020  1.090
 AIU  C31  H312  single    0.970  0.020  1.090
 AIU  C31  H313  single    0.970  0.020  1.090
 AIU  C32  C33   single    1.517  0.020  1.517
 AIU  C32  C34   single    1.521  0.020  1.521
 AIU  C32  H32   single    0.970  0.020  1.090
 AIU  C33  H331  single    0.970  0.020  1.090
 AIU  C33  H332  single    0.970  0.020  1.090
 AIU  C33  H333  single    0.970  0.020  1.090
 AIU  C34  H341  single    0.970  0.020  1.090
 AIU  C34  H342  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
 AIU  H1    C1   C12   109.04  3.000
 AIU  H1    C1   S11   103.87  3.000
 AIU  C12   C1   S11   113.95  3.000
 AIU  H1    C1   C2    106.82  3.000
 AIU  C12   C1   C2    113.74  3.000
 AIU  S11   C1   C2    108.73  3.000
 AIU  H2    C2   C19   108.65  3.000
 AIU  H2    C2   O3    110.01  3.000
 AIU  C19   C2   O3    108.00  3.000
 AIU  H2    C2   C1    107.35  3.000
 AIU  C19   C2   C1    111.77  3.000
 AIU  O3    C2   C1    111.04  3.000
 AIU  C4    O3   C2    117.59  3.000
 AIU  C10   C4   C5    119.16  3.000
 AIU  C10   C4   O3    123.56  3.000
 AIU  C5    C4   O3    117.26  3.000
 AIU  H5    C5   C6    119.82  3.000
 AIU  H5    C5   C4    118.97  3.000
 AIU  C6    C5   C4    121.22  3.000
 AIU  H6    C6   C7    120.60  3.000
 AIU  H6    C6   C5    119.69  3.000
 AIU  C7    C6   C5    119.71  3.000
 AIU  C9    C7   O8    117.75  3.000
 AIU  C9    C7   C6    119.46  3.000
 AIU  O8    C7   C6    122.79  3.000
 AIU  HO8   O8   C7    110.25  3.000
 AIU  H9    C9   C10   119.88  3.000
 AIU  H9    C9   C7    119.38  3.000
 AIU  C10   C9   C7    120.74  3.000
 AIU  S11   C10  C9    117.27  3.000
 AIU  S11   C10  C4    123.03  3.000
 AIU  C9    C10  C4    119.70  3.000
 AIU  C10   S11  C1    101.47  3.000
 AIU  C18   C12  C13   117.88  3.000
 AIU  C18   C12  C1    119.09  3.000
 AIU  C13   C12  C1    122.97  3.000
 AIU  H13   C13  C14   118.05  3.000
 AIU  H13   C13  C12   120.69  3.000
 AIU  C14   C13  C12   121.26  3.000
 AIU  H14   C14  C15   119.74  3.000
 AIU  H14   C14  C13   120.12  3.000
 AIU  C15   C14  C13   120.15  3.000
 AIU  C17   C15  O16   122.83  3.000
 AIU  C17   C15  C14   119.28  3.000
 AIU  O16   C15  C14   117.89  3.000
 AIU  H16   O16  C15   110.40  3.000
 AIU  H17   C17  C18   119.71  3.000
 AIU  H17   C17  C15   120.49  3.000
 AIU  C18   C17  C15   119.80  3.000
 AIU  H18   C18  C17   118.77  3.000
 AIU  H18   C18  C12   119.60  3.000
 AIU  C17   C18  C12   121.63  3.000
 AIU  C24   C19  C20   118.23  3.000
 AIU  C24   C19  C2    122.36  3.000
 AIU  C20   C19  C2    119.37  3.000
 AIU  H20   C20  C21   118.93  3.000
 AIU  H20   C20  C19   119.77  3.000
 AIU  C21   C20  C19   121.30  3.000
 AIU  H21   C21  C22   119.61  3.000
 AIU  H21   C21  C20   120.29  3.000
 AIU  C22   C21  C20   120.10  3.000
 AIU  O25   C22  C23   124.46  3.000
 AIU  O25   C22  C21   116.42  3.000
 AIU  C23   C22  C21   119.11  3.000
 AIU  H23   C23  C24   118.52  3.000
 AIU  H23   C23  C22   121.45  3.000
 AIU  C24   C23  C22   120.03  3.000
 AIU  H24   C24  C23   118.26  3.000
 AIU  H24   C24  C19   120.52  3.000
 AIU  C23   C24  C19   121.23  3.000
 AIU  C26   O25  C22   118.79  3.000
 AIU  H262  C26  H261  107.23  3.000
 AIU  H262  C26  C27   110.86  3.000
 AIU  H261  C26  C27   108.99  3.000
 AIU  H262  C26  O25   110.65  3.000
 AIU  H261  C26  O25   110.56  3.000
 AIU  C27   C26  O25   108.55  3.000
 AIU  H272  C27  H271  106.25  3.000
 AIU  H272  C27  N28   112.26  3.000
 AIU  H271  C27  N28   108.81  3.000
 AIU  H272  C27  C26   106.84  3.000
 AIU  H271  C27  C26   108.85  3.000
 AIU  N28   C27  C26   113.54  3.000
 AIU  C34   N28  C29   107.93  3.000
 AIU  C34   N28  C27   115.98  3.000
 AIU  C29   N28  C27   113.82  3.000
 AIU  H292  C29  H291  106.60  3.000
 AIU  H292  C29  C30   110.13  3.000
 AIU  H291  C29  C30   111.88  3.000
 AIU  H292  C29  N28   111.96  3.000
 AIU  H291  C29  N28   110.23  3.000
 AIU  C30   C29  N28   106.12  3.000
 AIU  H30   C30  C32   107.25  3.000
 AIU  H30   C30  C31   108.66  3.000
 AIU  C32   C30  C31   114.62  3.000
 AIU  H30   C30  C29   108.26  3.000
 AIU  C32   C30  C29   103.88  3.000
 AIU  C31   C30  C29   113.81  3.000
 AIU  H313  C31  H312  107.29  3.000
 AIU  H313  C31  H311  107.74  3.000
 AIU  H312  C31  H311  107.82  3.000
 AIU  H313  C31  C30   111.43  3.000
 AIU  H312  C31  C30   111.58  3.000
 AIU  H311  C31  C30   110.80  3.000
 AIU  H32   C32  C34   107.96  3.000
 AIU  H32   C32  C33   109.12  3.000
 AIU  C34   C32  C33   114.27  3.000
 AIU  H32   C32  C30   108.80  3.000
 AIU  C34   C32  C30   101.83  3.000
 AIU  C33   C32  C30   114.46  3.000
 AIU  H333  C33  H332  107.28  3.000
 AIU  H333  C33  H331  107.78  3.000
 AIU  H332  C33  H331  107.73  3.000
 AIU  H333  C33  C32   111.47  3.000
 AIU  H332  C33  C32   111.40  3.000
 AIU  H331  C33  C32   111.00  3.000
 AIU  H342  C34  H341  107.06  3.000
 AIU  H342  C34  C32   110.11  3.000
 AIU  H341  C34  C32   112.23  3.000
 AIU  H342  C34  N28   112.65  3.000
 AIU  H341  C34  N28   111.64  3.000
 AIU  C32   C34  N28   103.23  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
 AIU  CONST_01  C7   C6   C5   C4      0.00   0.0  0
 AIU  CONST_02  C7   C9   C10  C4      0.00   0.0  0
 AIU  CONST_03  C9   C10  C4   C5      0.00   0.0  0
 AIU  CONST_04  C9   C7   C6   C5      0.00   0.0  0
 AIU  CONST_05  C10  C4   C5   C6      0.00   0.0  0
 AIU  CONST_06  C10  C9   C7   C6      0.00   0.0  0
 AIU  CONST_07  C15  C14  C13  C12     0.00   0.0  0
 AIU  CONST_08  C15  C17  C18  C12     0.00   0.0  0
 AIU  CONST_09  C17  C18  C12  C13     0.00   0.0  0
 AIU  CONST_10  C17  C15  C14  C13     0.00   0.0  0
 AIU  CONST_11  C18  C12  C13  C14     0.00   0.0  0
 AIU  CONST_12  C18  C17  C15  C14     0.00   0.0  0
 AIU  CONST_13  C22  C21  C20  C19     0.00   0.0  0
 AIU  CONST_14  C22  C23  C24  C19     0.00   0.0  0
 AIU  CONST_15  C23  C24  C19  C20     0.00   0.0  0
 AIU  CONST_16  C23  C22  C21  C20     0.00   0.0  0
 AIU  CONST_17  C24  C19  C20  C21     0.00   0.0  0
 AIU  CONST_18  C24  C23  C22  C21     0.00   0.0  0
 AIU  CONST_19  C14  C13  C12  C1    180.00   0.0  0
 AIU  CONST_20  C17  C18  C12  C1    180.00   0.0  0
 AIU  CONST_21  C21  C20  C19  C2    180.00   0.0  0
 AIU  CONST_22  C23  C24  C19  C2    180.00   0.0  0
 AIU  CONST_23  O8   C7   C6   C5    180.00   0.0  0
 AIU  CONST_24  C10  C9   C7   O8    180.00   0.0  0
 AIU  CONST_25  O16  C15  C14  C13   180.00   0.0  0
 AIU  CONST_26  C18  C17  C15  O16   180.00   0.0  0
 AIU  CONST_27  O25  C22  C21  C20   180.00   0.0  0
 AIU  CONST_28  O25  C22  C23  C24   180.00   0.0  0
 AIU  CONST_29  H13  C13  C12  C1      0.00   0.0  0
 AIU  CONST_30  H18  C18  C12  C1      0.00   0.0  0
 AIU  CONST_31  H20  C20  C19  C2      0.00   0.0  0
 AIU  CONST_32  H24  C24  C19  C2      0.00   0.0  0
 AIU  CONST_33  H5   C5   C4   O3      0.00   0.0  0
 AIU  CONST_34  H6   C6   C5   C4    180.00   0.0  0
 AIU  CONST_35  H9   C9   C10  C4    180.00   0.0  0
 AIU  CONST_36  H14  C14  C13  C12   180.00   0.0  0
 AIU  CONST_37  H17  C17  C18  C12   180.00   0.0  0
 AIU  CONST_38  H21  C21  C20  C19   180.00   0.0  0
 AIU  CONST_39  H23  C23  C24  C19   180.00   0.0  0
 AIU  Var_01    C4   C10  S11  C1      6.36  30.0  1
 AIU  Var_02    C5   C4   O3   C2   -152.82  30.0  1
 AIU  Var_03    C32  C34  N28  C29    36.13  30.0  1
 AIU  Var_04    C34  N28  C29  C30   -15.96  30.0  1
 AIU  Var_05    C29  N28  C27  C26  -171.22  30.0  3
 AIU  Var_06    C27  C26  O25  C22   178.07  30.0  3
 AIU  Var_07    N28  C27  C26  O25    62.13  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
 AIU  chir_01  C1   C2   S11  C12  positiv
 AIU  chir_02  C2   O3   C19  C1   negativ
 AIU  chir_03  C30  C29  C31  C32  negativ
 AIU  chir_04  C32  C30  C33  C34  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
 AIU  plan-1  C1   0.020
 AIU  plan-1  C12  0.020
 AIU  plan-1  C13  0.020
 AIU  plan-1  C14  0.020
 AIU  plan-1  C15  0.020
 AIU  plan-1  O16  0.020
 AIU  plan-1  C17  0.020
 AIU  plan-1  C18  0.020
 AIU  plan-1  H13  0.020
 AIU  plan-1  H14  0.020
 AIU  plan-1  H17  0.020
 AIU  plan-1  H18  0.020
 AIU  plan-2  O3   0.020
 AIU  plan-2  C4   0.020
 AIU  plan-2  C5   0.020
 AIU  plan-2  C6   0.020
 AIU  plan-2  C7   0.020
 AIU  plan-2  O8   0.020
 AIU  plan-2  C9   0.020
 AIU  plan-2  C10  0.020
 AIU  plan-2  S11  0.020
 AIU  plan-2  H5   0.020
 AIU  plan-2  H6   0.020
 AIU  plan-2  H9   0.020
 AIU  plan-3  C2   0.020
 AIU  plan-3  C19  0.020
 AIU  plan-3  C20  0.020
 AIU  plan-3  C21  0.020
 AIU  plan-3  C22  0.020
 AIU  plan-3  C23  0.020
 AIU  plan-3  C24  0.020
 AIU  plan-3  O25  0.020
 AIU  plan-3  H20  0.020
 AIU  plan-3  H21  0.020
 AIU  plan-3  H23  0.020
 AIU  plan-3  H24  0.020

