# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Apr 28 20:25:29 2020
#   Inital geometry file: a 152 line input string
#   Ligand name: 1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-dimethylaminoethyl)urea
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN(C)CCNC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c4ccccc4
#
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
 EMQ  EMQ  1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(2-dimethylaminoethyl)urea  ligand  65  34  .  2021-08-08  2021-08-08  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_EMQ
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
 EMQ  N1    N  NH1   0  -0.668   1.9887   3.1744  -1.6825
 EMQ  C2    C  CR6   0  -0.227   0.8794  -2.6620  -0.7078
 EMQ  C3    C  CR16  0  -0.286  -0.2798  -3.2041  -1.2583
 EMQ  C4    C  CR16  0  -0.342  -1.4667  -2.5028  -1.2227
 EMQ  C5    C  CR16  0  -0.338   0.8170  -1.3974  -0.1315
 EMQ  C6    C  CR6   0   0.068  -0.3615  -0.6775  -0.0907
 EMQ  C7    C  CR6   0   0.380  -1.5340  -1.2291  -0.6358
 EMQ  N8    N  NH1   0  -0.713  -2.7152  -0.5579  -0.5690
 EMQ  C9    C  CH1   0  -0.096  -2.7893   0.8370  -0.1812
 EMQ  C10   C  CH1   0  -0.011  -0.3973   0.6939   0.5127
 EMQ  C11   C  CH1   0  -0.287  -1.8029   1.0731   0.9722
 EMQ  C12   C  CH2   0  -0.446  -1.7877   2.5109   1.4912
 EMQ  C13   C  CH2   0  -0.457  -1.1351   3.4704   0.5002
 EMQ  C14   C  CH1   0   0.040   0.2087   2.9197   0.0459
 EMQ  O15   O  O2    0  -0.493   0.0684   1.6063  -0.4623
 EMQ  C16   C  CR6   0   0.118  -4.2024   1.1857   0.2113
 EMQ  C17   C  CR16  0  -0.316  -4.8089   2.3245  -0.3069
 EMQ  C18   C  CR16  0  -0.240  -6.0937   2.6845   0.0810
 EMQ  C19   C  CR16  0  -0.267  -6.7881   1.9013   0.9919
 EMQ  C20   C  CR16  0  -0.240  -6.1914   0.7580   1.5107
 EMQ  C21   C  CR16  0  -0.300  -4.9078   0.4025   1.1227
 EMQ  F23   F  F     0  -0.306   2.0640  -4.6392  -1.1911
 EMQ  F24   F  F     0  -0.321   3.0858  -2.7752  -1.5234
 EMQ  F25   F  F     0  -0.319   2.7447  -3.4632   0.4800
 EMQ  C26   C  CH2   0  -0.306   0.8377   3.7731  -1.0497
 EMQ  C27   C  C     0   0.730   3.1343   2.9349  -0.9844
 EMQ  N28   N  NH1   0  -0.673   4.0157   2.1042  -1.6059
 EMQ  O29   O  O     0  -0.545   3.3735   3.4685   0.0942
 EMQ  C30   C  CH2   0  -0.299   5.1495   1.5366  -0.9145
 EMQ  C31   C  CH2   0  -0.278   4.7392   0.4063   0.0284
 EMQ  N32   N  NT    0  -0.409   5.8715  -0.2332   0.6664
 EMQ  C33   C  CH3   0  -0.521   5.4729  -0.9421   1.8634
 EMQ  C34   C  CH3   0  -0.526   6.5846  -1.1169  -0.2319
 EMQ  HN1   H  HNH1  0   0.387   1.7819   2.5582  -2.4517
 EMQ  H3    H  HCR6  0   0.265  -0.2721  -4.1823  -1.7202
 EMQ  H4    H  HCR6  0   0.266  -2.3603  -2.9421  -1.6487
 EMQ  H5    H  HCR6  0   0.251   1.7030  -0.9475   0.3035
 EMQ  HN8   H  HNH1  0   0.388  -3.4585  -0.8955  -1.1602
 EMQ  H9    H  HCH1  0   0.251  -2.5019   1.4770  -1.0262
 EMQ  H10   H  HCH1  0   0.237   0.2739   0.7196   1.3859
 EMQ  H11   H  HCH1  0   0.259  -2.0856   0.4057   1.7943
 EMQ  H12   H  HCH2  0   0.249  -2.7958   2.8444   1.7432
 EMQ  H12A  H  HCH2  0   0.239  -1.2188   2.5217   2.4257
 EMQ  H13   H  HCH2  0   0.224  -1.7848   3.6246  -0.3675
 EMQ  H13A  H  HCH2  0   0.244  -0.9949   4.4496   0.9642
 EMQ  H14   H  HCH1  0   0.208   0.8839   2.8934   0.9143
 EMQ  H17   H  HCR6  0   0.251  -4.2715   2.9385  -1.0207
 EMQ  H18   H  HCR6  0   0.256  -6.5516   3.5736  -0.3328
 EMQ  H19   H  HCR6  0   0.256  -7.7902   2.1760   1.2948
 EMQ  H20   H  HCR6  0   0.256  -6.7289   0.1416   2.2198
 EMQ  H21   H  HCR6  0   0.252  -4.4531  -0.4923   1.5310
 EMQ  H26   H  HCH2  0   0.247   1.0981   4.7452  -0.6291
 EMQ  H26A  H  HCH2  0   0.246   0.1039   3.9560  -1.8368
 EMQ  HN28  H  HNH1  0   0.388   3.7048   1.6106  -2.4270
 EMQ  H30   H  HCH2  0   0.244   5.8443   1.1831  -1.6769
 EMQ  H30A  H  HCH2  0   0.241   5.6672   2.3134  -0.3525
 EMQ  H31   H  HCH2  0   0.232   4.1036   0.8382   0.8049
 EMQ  H31A  H  HCH2  0   0.188   4.1132  -0.3158  -0.5236
 EMQ  H33   H  HCH3  0   0.190   4.7594  -1.7573   1.6667
 EMQ  H33A  H  HCH3  0   0.231   6.3475  -1.3790   2.3481
 EMQ  H33B  H  HCH3  0   0.233   5.0068  -0.2556   2.5716
 EMQ  H34   H  HCH3  0   0.233   6.9100  -0.5879  -1.1270
 EMQ  H34A  H  HCH3  0   0.234   7.4789  -1.5037   0.2585
 EMQ  H34B  H  HCH3  0   0.192   5.9805  -1.9794  -0.5555
 EMQ  C22   C  CT    0   1.054   2.1782  -3.3856  -0.7375

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
 EMQ  N1   C26   single    1.443  0.020  1.443
 EMQ  N1   C27   single    1.363  0.020  1.363
 EMQ  C2   C3    aromatic  1.393  0.020  1.393
 EMQ  C2   C5    aromatic  1.391  0.020  1.391
 EMQ  C2   C22   single    1.487  0.020  1.487
 EMQ  C3   C4    aromatic  1.379  0.020  1.379
 EMQ  C4   C7    aromatic  1.404  0.020  1.404
 EMQ  C5   C6    aromatic  1.382  0.020  1.382
 EMQ  C6   C7    aromatic  1.406  0.020  1.406
 EMQ  C6   C10   single    1.499  0.020  1.499
 EMQ  C7   N8    single    1.360  0.020  1.360
 EMQ  N8   C9    single    1.450  0.020  1.450
 EMQ  C9   C11   single    1.536  0.020  1.536
 EMQ  C9   C16   single    1.507  0.020  1.507
 EMQ  C10  C11   single    1.527  0.020  1.527
 EMQ  C10  O15   single    1.414  0.020  1.414
 EMQ  C11  C12   single    1.529  0.020  1.529
 EMQ  C12  C13   single    1.526  0.020  1.526
 EMQ  C13  C14   single    1.522  0.020  1.522
 EMQ  C14  O15   single    1.415  0.020  1.415
 EMQ  C14  C26   single    1.525  0.020  1.525
 EMQ  C16  C17   aromatic  1.390  0.020  1.390
 EMQ  C16  C21   aromatic  1.393  0.020  1.393
 EMQ  C17  C18   aromatic  1.389  0.020  1.389
 EMQ  C18  C19   aromatic  1.388  0.020  1.388
 EMQ  C19  C20   aromatic  1.390  0.020  1.390
 EMQ  C20  C21   aromatic  1.387  0.020  1.387
 EMQ  C22  F23   single    1.338  0.020  1.338
 EMQ  C22  F24   single    1.347  0.020  1.347
 EMQ  C22  F25   single    1.345  0.020  1.345
 EMQ  C27  N28   single    1.361  0.020  1.361
 EMQ  C27  O29   double    1.227  0.020  1.227
 EMQ  N28  C30   single    1.444  0.020  1.444
 EMQ  C30  C31   single    1.528  0.020  1.528
 EMQ  C31  N32   single    1.449  0.020  1.449
 EMQ  N32  C33   single    1.447  0.020  1.447
 EMQ  N32  C34   single    1.448  0.020  1.448
 EMQ  N1   HN1   single    0.890  0.020  1.040
 EMQ  C3   H3    single    0.930  0.020  1.080
 EMQ  C4   H4    single    0.930  0.020  1.080
 EMQ  C5   H5    single    0.930  0.020  1.080
 EMQ  N8   HN8   single    0.890  0.020  1.040
 EMQ  C9   H9    single    0.970  0.020  1.090
 EMQ  C10  H10   single    0.970  0.020  1.090
 EMQ  C11  H11   single    0.970  0.020  1.090
 EMQ  C12  H12   single    0.970  0.020  1.090
 EMQ  C12  H12A  single    0.970  0.020  1.090
 EMQ  C13  H13   single    0.970  0.020  1.090
 EMQ  C13  H13A  single    0.970  0.020  1.090
 EMQ  C14  H14   single    0.970  0.020  1.090
 EMQ  C17  H17   single    0.930  0.020  1.080
 EMQ  C18  H18   single    0.930  0.020  1.080
 EMQ  C19  H19   single    0.930  0.020  1.080
 EMQ  C20  H20   single    0.930  0.020  1.080
 EMQ  C21  H21   single    0.930  0.020  1.080
 EMQ  C26  H26   single    0.970  0.020  1.090
 EMQ  C26  H26A  single    0.970  0.020  1.090
 EMQ  N28  HN28  single    0.890  0.020  1.040
 EMQ  C30  H30   single    0.970  0.020  1.090
 EMQ  C30  H30A  single    0.970  0.020  1.090
 EMQ  C31  H31   single    0.970  0.020  1.090
 EMQ  C31  H31A  single    0.970  0.020  1.090
 EMQ  C33  H33   single    0.970  0.020  1.090
 EMQ  C33  H33A  single    0.970  0.020  1.090
 EMQ  C33  H33B  single    0.970  0.020  1.090
 EMQ  C34  H34   single    0.970  0.020  1.090
 EMQ  C34  H34A  single    0.970  0.020  1.090
 EMQ  C34  H34B  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
 EMQ  HN1   N1   C27   117.15  3.000
 EMQ  HN1   N1   C26   115.14  3.000
 EMQ  C27   N1   C26   121.24  3.000
 EMQ  C22   C2   C5    119.32  3.000
 EMQ  C22   C2   C3    121.97  3.000
 EMQ  C5    C2   C3    118.70  3.000
 EMQ  H3    C3   C4    118.49  3.000
 EMQ  H3    C3   C2    120.98  3.000
 EMQ  C4    C3   C2    120.53  3.000
 EMQ  H4    C4   C7    119.52  3.000
 EMQ  H4    C4   C3    119.59  3.000
 EMQ  C7    C4   C3    120.89  3.000
 EMQ  H5    C5   C6    117.95  3.000
 EMQ  H5    C5   C2    120.44  3.000
 EMQ  C6    C5   C2    121.61  3.000
 EMQ  C10   C6   C7    119.68  3.000
 EMQ  C10   C6   C5    120.60  3.000
 EMQ  C7    C6   C5    119.71  3.000
 EMQ  N8    C7   C6    120.77  3.000
 EMQ  N8    C7   C4    120.65  3.000
 EMQ  C6    C7   C4    118.56  3.000
 EMQ  HN8   N8   C9    116.20  3.000
 EMQ  HN8   N8   C7    116.51  3.000
 EMQ  C9    N8   C7    122.16  3.000
 EMQ  H9    C9   C16   108.11  3.000
 EMQ  H9    C9   C11   108.67  3.000
 EMQ  C16   C9   C11   111.78  3.000
 EMQ  H9    C9   N8    109.97  3.000
 EMQ  C16   C9   N8    109.89  3.000
 EMQ  C11   C9   N8    108.42  3.000
 EMQ  H10   C10  O15   109.32  3.000
 EMQ  H10   C10  C11   108.45  3.000
 EMQ  O15   C10  C11   110.51  3.000
 EMQ  H10   C10  C6    109.02  3.000
 EMQ  O15   C10  C6    107.75  3.000
 EMQ  C11   C10  C6    111.75  3.000
 EMQ  H11   C11  C12   108.71  3.000
 EMQ  H11   C11  C10   108.18  3.000
 EMQ  C12   C11  C10   109.07  3.000
 EMQ  H11   C11  C9    107.70  3.000
 EMQ  C12   C11  C9    113.95  3.000
 EMQ  C10   C11  C9    109.09  3.000
 EMQ  H12A  C12  H12   106.26  3.000
 EMQ  H12A  C12  C13   109.04  3.000
 EMQ  H12   C12  C13   110.67  3.000
 EMQ  H12A  C12  C11   107.72  3.000
 EMQ  H12   C12  C11   110.89  3.000
 EMQ  C13   C12  C11   112.04  3.000
 EMQ  H13A  C13  H13   106.64  3.000
 EMQ  H13A  C13  C14   109.74  3.000
 EMQ  H13   C13  C14   109.78  3.000
 EMQ  H13A  C13  C12   110.04  3.000
 EMQ  H13   C13  C12   110.46  3.000
 EMQ  C14   C13  C12   110.12  3.000
 EMQ  H14   C14  C26   109.11  3.000
 EMQ  H14   C14  O15   108.79  3.000
 EMQ  C26   C14  O15   107.59  3.000
 EMQ  H14   C14  C13   108.36  3.000
 EMQ  C26   C14  C13   112.11  3.000
 EMQ  O15   C14  C13   110.82  3.000
 EMQ  C14   O15  C10   112.57  3.000
 EMQ  C21   C16  C17   118.90  3.000
 EMQ  C21   C16  C9    120.98  3.000
 EMQ  C17   C16  C9    120.09  3.000
 EMQ  H17   C17  C18   119.70  3.000
 EMQ  H17   C17  C16   119.54  3.000
 EMQ  C18   C17  C16   120.76  3.000
 EMQ  H18   C18  C19   120.19  3.000
 EMQ  H18   C18  C17   119.82  3.000
 EMQ  C19   C18  C17   119.99  3.000
 EMQ  H19   C19  C20   120.11  3.000
 EMQ  H19   C19  C18   120.26  3.000
 EMQ  C20   C19  C18   119.63  3.000
 EMQ  H20   C20  C21   119.79  3.000
 EMQ  H20   C20  C19   119.98  3.000
 EMQ  C21   C20  C19   120.24  3.000
 EMQ  H21   C21  C20   119.64  3.000
 EMQ  H21   C21  C16   119.88  3.000
 EMQ  C20   C21  C16   120.48  3.000
 EMQ  H26A  C26  H26   106.81  3.000
 EMQ  H26A  C26  C14   109.55  3.000
 EMQ  H26   C26  C14   108.68  3.000
 EMQ  H26A  C26  N1    106.83  3.000
 EMQ  H26   C26  N1    110.38  3.000
 EMQ  C14   C26  N1    114.32  3.000
 EMQ  O29   C27  N28   122.72  3.000
 EMQ  O29   C27  N1    122.53  3.000
 EMQ  N28   C27  N1    114.69  3.000
 EMQ  HN28  N28  C30   116.10  3.000
 EMQ  HN28  N28  C27   118.13  3.000
 EMQ  C30   N28  C27   121.98  3.000
 EMQ  H30A  C30  H30   106.80  3.000
 EMQ  H30A  C30  C31   109.67  3.000
 EMQ  H30   C30  C31   111.27  3.000
 EMQ  H30A  C30  N28   109.86  3.000
 EMQ  H30   C30  N28   107.03  3.000
 EMQ  C31   C30  N28   112.04  3.000
 EMQ  H31A  C31  H31   106.51  3.000
 EMQ  H31A  C31  N32   112.01  3.000
 EMQ  H31   C31  N32   108.43  3.000
 EMQ  H31A  C31  C30   109.13  3.000
 EMQ  H31   C31  C30   107.60  3.000
 EMQ  N32   C31  C30   112.86  3.000
 EMQ  C34   N32  C33   110.48  3.000
 EMQ  C34   N32  C31   112.40  3.000
 EMQ  C33   N32  C31   111.43  3.000
 EMQ  H33B  C33  H33A  107.83  3.000
 EMQ  H33B  C33  H33   107.76  3.000
 EMQ  H33A  C33  H33   107.59  3.000
 EMQ  H33B  C33  N32   110.27  3.000
 EMQ  H33A  C33  N32   110.05  3.000
 EMQ  H33   C33  N32   113.17  3.000
 EMQ  H34B  C34  H34A  107.70  3.000
 EMQ  H34B  C34  H34   107.61  3.000
 EMQ  H34A  C34  H34   107.26  3.000
 EMQ  H34B  C34  N32   112.96  3.000
 EMQ  H34A  C34  N32   109.95  3.000
 EMQ  H34   C34  N32   111.13  3.000
 EMQ  F25   C22  F24   105.69  3.000
 EMQ  F25   C22  F23   106.78  3.000
 EMQ  F24   C22  F23   106.52  3.000
 EMQ  F25   C22  C2    112.20  3.000
 EMQ  F24   C22  C2    112.31  3.000
 EMQ  F23   C22  C2    112.84  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
 EMQ  CONST_01  C7    C4   C3   C2      0.00   0.0  0
 EMQ  CONST_02  C7    C6   C5   C2      0.00   0.0  0
 EMQ  CONST_03  C6    C5   C2   C3      0.00   0.0  0
 EMQ  CONST_04  C6    C7   C4   C3      0.00   0.0  0
 EMQ  CONST_05  C5    C2   C3   C4      0.00   0.0  0
 EMQ  CONST_06  C5    C6   C7   C4      0.00   0.0  0
 EMQ  CONST_07  C19   C18  C17  C16     0.00   0.0  0
 EMQ  CONST_08  C19   C20  C21  C16     0.00   0.0  0
 EMQ  CONST_09  C20   C21  C16  C17     0.00   0.0  0
 EMQ  CONST_10  C20   C19  C18  C17     0.00   0.0  0
 EMQ  CONST_11  C21   C16  C17  C18     0.00   0.0  0
 EMQ  CONST_12  C21   C20  C19  C18     0.00   0.0  0
 EMQ  CONST_13  C18   C17  C16  C9    180.00   0.0  0
 EMQ  CONST_14  C20   C21  C16  C9    180.00   0.0  0
 EMQ  CONST_15  C22   C2   C3   C4    180.00   0.0  0
 EMQ  CONST_16  C22   C2   C5   C6    180.00   0.0  0
 EMQ  CONST_17  H4    C4   C3   C2    180.00   0.0  0
 EMQ  CONST_18  H5    C5   C2   C3    180.00   0.0  0
 EMQ  CONST_19  H3    C3   C2   C5    180.00   0.0  0
 EMQ  CONST_20  H17   C17  C16  C9      0.00   0.0  0
 EMQ  CONST_21  H21   C21  C16  C9      0.00   0.0  0
 EMQ  CONST_22  H18   C18  C17  C16   180.00   0.0  0
 EMQ  CONST_23  H20   C20  C21  C16   180.00   0.0  0
 EMQ  CONST_24  H19   C19  C18  C17   180.00   0.0  0
 EMQ  CONST_27  C30   N28  C27  N1    180.00   0.0  0
 EMQ  CONST_28  N28   C27  N1   C26   180.00   0.0  0
 EMQ  CONST_29  HN1   N1   C27  O29   180.00   0.0  0
 EMQ  CONST_30  HN28  N28  C27  O29   180.00   0.0  0
 EMQ  Var_01    C9    N8   C7   C4   -169.37  30.0  1
 EMQ  Var_02    C14   C13  C12  C11   -49.78  30.0  1
 EMQ  Var_03    F23   C22  C2   C3     -7.51  30.0  2
 EMQ  Var_04    C27   N1   C26  C14   -64.67  30.0  2
 EMQ  Var_05    C31   C30  N28  C27    75.04  30.0  3
 EMQ  Var_06    N32   C31  C30  N28   176.27  30.0  3
 EMQ  Var_07    C33   N32  C31  C30   159.76  30.0  3
 EMQ  Var_08    H33   C33  N32  C31    61.97  30.0  3
 EMQ  Var_09    H34   C34  N32  C31    56.16  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
 EMQ  chir_01  C9   N8   C11  C16  positiv
 EMQ  chir_02  C10  O15  C11  C6   negativ
 EMQ  chir_03  C11  C9   C10  C12  negativ
 EMQ  chir_04  C14  O15  C13  C26  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
 EMQ  plan-1  C9    0.020
 EMQ  plan-1  C16   0.020
 EMQ  plan-1  C17   0.020
 EMQ  plan-1  C18   0.020
 EMQ  plan-1  C19   0.020
 EMQ  plan-1  C20   0.020
 EMQ  plan-1  C21   0.020
 EMQ  plan-1  H17   0.020
 EMQ  plan-1  H18   0.020
 EMQ  plan-1  H19   0.020
 EMQ  plan-1  H20   0.020
 EMQ  plan-1  H21   0.020
 EMQ  plan-2  C2    0.020
 EMQ  plan-2  C3    0.020
 EMQ  plan-2  C4    0.020
 EMQ  plan-2  C5    0.020
 EMQ  plan-2  C6    0.020
 EMQ  plan-2  C7    0.020
 EMQ  plan-2  N8    0.020
 EMQ  plan-2  C10   0.020
 EMQ  plan-2  H3    0.020
 EMQ  plan-2  H4    0.020
 EMQ  plan-2  H5    0.020
 EMQ  plan-2  C22   0.020
 EMQ  plan-3  N1    0.020
 EMQ  plan-3  C26   0.020
 EMQ  plan-3  C27   0.020
 EMQ  plan-3  N28   0.020
 EMQ  plan-3  O29   0.020
 EMQ  plan-3  C30   0.020
 EMQ  plan-3  HN1   0.020
 EMQ  plan-3  HN28  0.020

