# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Apr 24 22:25:55 2020
#   Inital geometry file: a 163 line input string
#   Ligand name: N-{[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyl}-L-tryptophan
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[S](=O)(=O)c3ccc(cc3)N4CCC(CC4)c5ccccc5
#
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
 DPS  DPS  N-{[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyl}-L-tryptophan  ligand  64  36  .  2021-08-08  2021-08-08  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_DPS
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
 DPS  N1    N  NT     0  -0.510   0.1126   0.3182   2.6085
 DPS  C2    C  C1     0  -0.331   1.9284   0.4106   1.0082
 DPS  C3    C  C1     0  -0.218   2.3958   0.6362  -0.2670
 DPS  C4    C  C      0  -0.274   1.5100   0.9759  -1.2872
 DPS  C5    C  C1     0  -0.202   0.1542   1.0695  -1.0140
 DPS  N7    N  NC1    0  -0.692  -1.1896   0.8962  -5.9403
 DPS  C8    C  CH1    0  -0.230   1.6405  -1.4158  -3.2827
 DPS  C10   C  C1     0  -0.276  -1.5095   0.4120   9.4729
 DPS  C11   C  CH1    0  -0.354  -0.9274  -0.2913   5.2596
 DPS  C12   C  C1     0  -0.237  -2.1801  -0.6214   8.8341
 DPS  O1    O  OS     0  -0.691   3.3952   1.9316  -2.8468
 DPS  O2    O  OS     0  -0.643   1.0376   1.8530  -3.6804
 DPS  C1    C  C      0   0.397   0.5551   0.5073   1.3163
 DPS  C6    C  C1     0  -0.357  -0.3174   0.8330   0.2652
 DPS  C7    C  CH2    0  -0.417   0.5310  -0.5431   4.8796
 DPS  C13   C  CH2    0  -0.412  -1.4607   0.8625   4.4112
 DPS  C15   C  CH2    0  -0.312  -1.2758   0.6021   2.9238
 DPS  C18   C  CH2    0  -0.306   0.6662  -0.7848   3.3866
 DPS  C14   C  C1     0  -0.339  -1.9829  -0.8461   7.4770
 DPS  C16   C  C      0   0.199  -1.1181  -0.0467   6.7338
 DPS  C17   C  C1     0  -0.322  -0.4506   0.9889   7.3884
 DPS  C19   C  C1     0  -0.238  -0.6424   1.2168   8.7437
 DPS  N     N  NC1    0  -0.737   2.4691  -0.2444  -3.5463
 DPS  C20   C  CH2    0  -0.517   0.8205  -1.8408  -4.5061
 DPS  C9    C  C      0   0.442   2.5753  -2.5591  -2.7940
 DPS  O3    O  O      0  -0.590   2.0310  -3.6537  -2.5866
 DPS  O4    O  OC    -1  -0.590   3.7809  -2.2690  -2.6490
 DPS  C21   C  C1     0  -0.285  -3.6764   0.7556  -3.2120
 DPS  C22   C  C1     0  -0.312  -3.1171   1.2468  -4.3778
 DPS  C23   C  C      0   0.362  -1.9532   0.6362  -4.8422
 DPS  C24   C  C      0   0.032  -1.3557  -0.4507  -4.1652
 DPS  C25   C  C1     0  -0.365  -1.9500  -0.9316  -2.9939
 DPS  C26   C  C1     0  -0.268  -3.1009  -0.3260  -2.5260
 DPS  C27   C  C1     0  -0.073  -0.1299   0.0319  -5.9676
 DPS  C28   C  C      0   0.027  -0.1848  -0.8182  -4.9032
 DPS  H2    H  H      0   0.272   2.6479   0.1908   1.7846
 DPS  H3    H  H      0   0.272   3.4600   0.5677  -0.4533
 DPS  H5    H  H      0   0.284  -0.5534   1.2984  -1.7999
 DPS  H8    H  HCH1   0   0.256   0.9446  -1.2205  -2.4573
 DPS  H10   H  H      0   0.253  -1.6603   0.5902  10.5298
 DPS  H11   H  HCH1   0   0.241  -1.4960  -1.1901   4.9923
 DPS  H12   H  H      0   0.252  -2.8583  -1.2549   9.3917
 DPS  H6    H  H      0   0.272  -1.3850   0.8841   0.4214
 DPS  H71   H  HCH2   0   0.227   1.1499   0.3118   5.1663
 DPS  H72   H  HCH2   0   0.245   0.9173  -1.4141   5.4135
 DPS  H131  H  HCH2   0   0.228  -0.9464   1.7900   4.6806
 DPS  H132  H  HCH2   0   0.246  -2.5239   1.0194   4.6052
 DPS  H151  H  HCH2   0   0.258  -1.5908   1.4926   2.3809
 DPS  H152  H  HCH2   0   0.220  -1.9321  -0.2226   2.6072
 DPS  H181  H  HCH2   0   0.225   0.1500  -1.7186   3.1194
 DPS  H182  H  HCH2   0   0.262   1.7154  -0.9273   3.1413
 DPS  H14   H  H      0   0.246  -2.5093  -1.6576   6.9875
 DPS  H17   H  H      0   0.245   0.2283   1.6301   6.8377
 DPS  H19   H  H      0   0.252  -0.1149   2.0260   9.2326
 DPS  HN    H  HNC1   0   0.394   3.4307  -0.5082  -3.3081
 DPS  H201  H  HCH2   0   0.235   1.4998  -2.0444  -5.3381
 DPS  H202  H  HCH2   0   0.235   0.3292  -2.7841  -4.2592
 DPS  H22   H  H      0   0.252  -3.5674   2.0773  -4.9074
 DPS  H25   H  H      0   0.233  -1.5164  -1.7663  -2.4550
 DPS  H26   H  H      0   0.238  -3.5673  -0.6859  -1.6176
 DPS  H27   H  H      0   0.271   0.6067   0.0947  -6.7532
 DPS  HN7   H  HNC1   0   0.400  -1.3616   1.6170  -6.6196
 DPS  S     S  S      0   1.380   2.1124   1.2352  -2.9223
 DPS  H21   H  H      0   0.243  -4.5780   1.2122  -2.8238

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
 DPS  N1   C1    single    1.379  0.020  1.379
 DPS  N1   C15   single    1.452  0.020  1.452
 DPS  N1   C18   single    1.459  0.020  1.459
 DPS  C2   C3    aromatic  1.377  0.020  1.377
 DPS  C2   C1    aromatic  1.411  0.020  1.411
 DPS  C2   H2    single    0.930  0.020  1.080
 DPS  C3   C4    aromatic  1.393  0.020  1.393
 DPS  C3   H3    single    0.930  0.020  1.080
 DPS  C4   C5    aromatic  1.386  0.020  1.386
 DPS  C4   S     single    1.762  0.020  1.762
 DPS  C5   C6    aromatic  1.384  0.020  1.384
 DPS  C5   H5    single    0.930  0.020  1.080
 DPS  N7   C23   aromatic  1.363  0.020  1.363
 DPS  N7   C27   aromatic  1.368  0.020  1.368
 DPS  N7   HN7   single    0.860  0.020  1.020
 DPS  C8   N     single    1.459  0.020  1.459
 DPS  C8   C20   single    1.533  0.020  1.533
 DPS  C8   C9    single    1.556  0.020  1.556
 DPS  C8   H8    single    0.970  0.020  1.090
 DPS  C10  C12   aromatic  1.388  0.020  1.388
 DPS  C10  C19   aromatic  1.390  0.020  1.390
 DPS  C10  H10   single    0.930  0.020  1.080
 DPS  C11  C7    single    1.528  0.020  1.528
 DPS  C11  C13   single    1.528  0.020  1.528
 DPS  C11  C16   single    1.507  0.020  1.507
 DPS  C11  H11   single    0.970  0.020  1.090
 DPS  C12  C14   aromatic  1.390  0.020  1.390
 DPS  C12  H12   single    0.930  0.020  1.080
 DPS  O1   S     double    1.462  0.020  1.462
 DPS  O2   S     double    1.453  0.020  1.453
 DPS  C1   C6    aromatic  1.404  0.020  1.404
 DPS  C6   H6    single    0.930  0.020  1.080
 DPS  S    N     single    1.645  0.020  1.645
 DPS  C7   C18   single    1.518  0.020  1.518
 DPS  C7   H71   single    0.970  0.020  1.090
 DPS  C7   H72   single    0.970  0.020  1.090
 DPS  C13  C15   single    1.521  0.020  1.521
 DPS  C13  H131  single    0.970  0.020  1.090
 DPS  C13  H132  single    0.970  0.020  1.090
 DPS  C15  H151  single    0.970  0.020  1.090
 DPS  C15  H152  single    0.970  0.020  1.090
 DPS  C18  H181  single    0.970  0.020  1.090
 DPS  C18  H182  single    0.970  0.020  1.090
 DPS  C14  C16   aromatic  1.393  0.020  1.393
 DPS  C14  H14   single    0.930  0.020  1.080
 DPS  C16  C17   aromatic  1.395  0.020  1.395
 DPS  C17  C19   aromatic  1.388  0.020  1.388
 DPS  C17  H17   single    0.930  0.020  1.080
 DPS  C19  H19   single    0.930  0.020  1.080
 DPS  N    HN    single    0.890  0.020  1.040
 DPS  C20  C28   single    1.488  0.020  1.488
 DPS  C20  H201  single    0.970  0.020  1.090
 DPS  C20  H202  single    0.970  0.020  1.090
 DPS  C9   O3    deloc     1.240  0.020  1.240
 DPS  C9   O4    deloc     1.248  0.020  1.248
 DPS  C21  C22   aromatic  1.383  0.020  1.383
 DPS  C21  C26   aromatic  1.404  0.020  1.404
 DPS  C21  H21   single    0.930  0.020  1.080
 DPS  C22  C23   aromatic  1.394  0.020  1.394
 DPS  C22  H22   single    0.930  0.020  1.080
 DPS  C23  C24   aromatic  1.413  0.020  1.413
 DPS  C24  C25   aromatic  1.399  0.020  1.399
 DPS  C24  C28   aromatic  1.432  0.020  1.432
 DPS  C25  C26   aromatic  1.382  0.020  1.382
 DPS  C25  H25   single    0.930  0.020  1.080
 DPS  C26  H26   single    0.930  0.020  1.080
 DPS  C27  C28   aromatic  1.363  0.020  1.363
 DPS  C27  H27   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
 DPS  C18   N1   C15   113.26  3.000
 DPS  C18   N1   C1    118.80  3.000
 DPS  C15   N1   C1    118.92  3.000
 DPS  H2    C2   C1    120.33  3.000
 DPS  H2    C2   C3    118.19  3.000
 DPS  C1    C2   C3    121.44  3.000
 DPS  H3    C3   C4    120.96  3.000
 DPS  H3    C3   C2    118.87  3.000
 DPS  C4    C3   C2    120.15  3.000
 DPS  S     C4   C5    120.49  3.000
 DPS  S     C4   C3    119.87  3.000
 DPS  C5    C4   C3    119.61  3.000
 DPS  H5    C5   C6    119.00  3.000
 DPS  H5    C5   C4    120.71  3.000
 DPS  C6    C5   C4    120.27  3.000
 DPS  HN7   N7   C27   124.90  3.000
 DPS  HN7   N7   C23   125.84  3.000
 DPS  C27   N7   C23   109.25  3.000
 DPS  H8    C8   C9    106.00  3.000
 DPS  H8    C8   C20   108.09  3.000
 DPS  C9    C8   C20   111.62  3.000
 DPS  H8    C8   N     110.69  3.000
 DPS  C9    C8   N     107.79  3.000
 DPS  C20   C8   N     112.47  3.000
 DPS  H10   C10  C19   120.26  3.000
 DPS  H10   C10  C12   120.32  3.000
 DPS  C19   C10  C12   119.42  3.000
 DPS  H11   C11  C16   107.81  3.000
 DPS  H11   C11  C13   107.61  3.000
 DPS  C16   C11  C13   112.12  3.000
 DPS  H11   C11  C7    107.41  3.000
 DPS  C16   C11  C7    113.01  3.000
 DPS  C13   C11  C7    108.63  3.000
 DPS  H12   C12  C14   119.82  3.000
 DPS  H12   C12  C10   120.09  3.000
 DPS  C14   C12  C10   120.09  3.000
 DPS  C6    C1   C2    117.21  3.000
 DPS  C6    C1   N1    122.26  3.000
 DPS  C2    C1   N1    120.51  3.000
 DPS  H6    C6   C1    121.12  3.000
 DPS  H6    C6   C5    117.54  3.000
 DPS  C1    C6   C5    121.32  3.000
 DPS  H72   C7   H71   107.16  3.000
 DPS  H72   C7   C18   108.79  3.000
 DPS  H71   C7   C18   109.37  3.000
 DPS  H72   C7   C11   110.34  3.000
 DPS  H71   C7   C11   110.25  3.000
 DPS  C18   C7   C11   110.84  3.000
 DPS  H132  C13  H131  106.98  3.000
 DPS  H132  C13  C15   108.46  3.000
 DPS  H131  C13  C15   109.19  3.000
 DPS  H132  C13  C11   110.46  3.000
 DPS  H131  C13  C11   109.83  3.000
 DPS  C15   C13  C11   111.79  3.000
 DPS  H152  C15  H151  107.26  3.000
 DPS  H152  C15  C13   109.70  3.000
 DPS  H151  C15  C13   108.19  3.000
 DPS  H152  C15  N1    111.17  3.000
 DPS  H151  C15  N1    109.16  3.000
 DPS  C13   C15  N1    111.23  3.000
 DPS  H182  C18  H181  106.68  3.000
 DPS  H182  C18  C7    109.19  3.000
 DPS  H181  C18  C7    109.40  3.000
 DPS  H182  C18  N1    110.18  3.000
 DPS  H181  C18  N1    109.52  3.000
 DPS  C7    C18  N1    111.73  3.000
 DPS  H14   C14  C16   119.36  3.000
 DPS  H14   C14  C12   119.54  3.000
 DPS  C16   C14  C12   121.10  3.000
 DPS  C17   C16  C14   118.22  3.000
 DPS  C17   C16  C11   121.27  3.000
 DPS  C14   C16  C11   120.51  3.000
 DPS  H17   C17  C19   119.05  3.000
 DPS  H17   C17  C16   120.02  3.000
 DPS  C19   C17  C16   120.93  3.000
 DPS  H19   C19  C17   119.77  3.000
 DPS  H19   C19  C10   119.99  3.000
 DPS  C17   C19  C10   120.24  3.000
 DPS  HN    N    S     110.28  3.000
 DPS  HN    N    C8    106.51  3.000
 DPS  S     N    C8    122.04  3.000
 DPS  H202  C20  H201  106.90  3.000
 DPS  H202  C20  C28   110.49  3.000
 DPS  H201  C20  C28   110.16  3.000
 DPS  H202  C20  C8    107.45  3.000
 DPS  H201  C20  C8    109.07  3.000
 DPS  C28   C20  C8    112.58  3.000
 DPS  O4    C9   O3    127.56  3.000
 DPS  O4    C9   C8    116.49  3.000
 DPS  O3    C9   C8    115.95  3.000
 DPS  H21   C21  C26   119.41  3.000
 DPS  H21   C21  C22   119.29  3.000
 DPS  C26   C21  C22   121.31  3.000
 DPS  H22   C22  C23   121.34  3.000
 DPS  H22   C22  C21   121.08  3.000
 DPS  C23   C22  C21   117.57  3.000
 DPS  C24   C23  C22   122.03  3.000
 DPS  C24   C23  N7    107.21  3.000
 DPS  C22   C23  N7    130.76  3.000
 DPS  C28   C24  C25   133.69  3.000
 DPS  C28   C24  C23   107.23  3.000
 DPS  C25   C24  C23   119.08  3.000
 DPS  H25   C25  C26   120.14  3.000
 DPS  H25   C25  C24   120.74  3.000
 DPS  C26   C25  C24   119.12  3.000
 DPS  H26   C26  C25   119.81  3.000
 DPS  H26   C26  C21   119.30  3.000
 DPS  C25   C26  C21   120.89  3.000
 DPS  H27   C27  C28   129.23  3.000
 DPS  H27   C27  N7    120.45  3.000
 DPS  C28   C27  N7    110.32  3.000
 DPS  C27   C28  C24   105.98  3.000
 DPS  C27   C28  C20   127.57  3.000
 DPS  C24   C28  C20   126.25  3.000
 DPS  N     S    O2    110.18  3.000
 DPS  N     S    O1    104.94  3.000
 DPS  O2    S    O1    118.27  3.000
 DPS  N     S    C4    107.09  3.000
 DPS  O2    S    C4    107.09  3.000
 DPS  O1    S    C4    108.81  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
 DPS  CONST_01  C5   C4   C3   C2      0.00   0.0  0
 DPS  CONST_02  C5   C6   C1   C2      0.00   0.0  0
 DPS  CONST_03  C6   C1   C2   C3      0.00   0.0  0
 DPS  CONST_04  C6   C5   C4   C3      0.00   0.0  0
 DPS  CONST_05  C1   C2   C3   C4      0.00   0.0  0
 DPS  CONST_06  C1   C6   C5   C4      0.00   0.0  0
 DPS  CONST_07  C21  C22  C23  N7    180.00   0.0  0
 DPS  CONST_08  C25  C24  C23  N7    180.00   0.0  0
 DPS  CONST_09  C28  C24  C23  N7      0.00   0.0  0
 DPS  CONST_10  C24  C28  C27  N7      0.00   0.0  0
 DPS  CONST_11  C16  C14  C12  C10     0.00   0.0  0
 DPS  CONST_12  C16  C17  C19  C10     0.00   0.0  0
 DPS  CONST_13  C17  C19  C10  C12     0.00   0.0  0
 DPS  CONST_14  C17  C16  C14  C12     0.00   0.0  0
 DPS  CONST_15  C19  C10  C12  C14     0.00   0.0  0
 DPS  CONST_16  C19  C17  C16  C14     0.00   0.0  0
 DPS  CONST_17  C24  C23  C22  C21     0.00   0.0  0
 DPS  CONST_18  C24  C25  C26  C21     0.00   0.0  0
 DPS  CONST_19  C25  C26  C21  C22     0.00   0.0  0
 DPS  CONST_20  C27  N7   C23  C22   180.00   0.0  0
 DPS  CONST_21  C25  C24  C23  C22     0.00   0.0  0
 DPS  CONST_22  C28  C24  C23  C22   180.00   0.0  0
 DPS  CONST_23  C28  C27  N7   C23     0.00   0.0  0
 DPS  CONST_24  C26  C21  C22  C23     0.00   0.0  0
 DPS  CONST_25  C26  C25  C24  C23     0.00   0.0  0
 DPS  CONST_26  C27  C28  C24  C23     0.00   0.0  0
 DPS  CONST_27  C27  N7   C23  C24     0.00   0.0  0
 DPS  CONST_28  C27  C28  C24  C25   180.00   0.0  0
 DPS  CONST_29  C28  C24  C25  C26   180.00   0.0  0
 DPS  CONST_30  C3   C2   C1   N1    180.00   0.0  0
 DPS  CONST_31  C5   C6   C1   N1    180.00   0.0  0
 DPS  CONST_32  C12  C14  C16  C11   180.00   0.0  0
 DPS  CONST_33  C19  C17  C16  C11   180.00   0.0  0
 DPS  CONST_34  S    C4   C3   C2    180.00   0.0  0
 DPS  CONST_35  C20  C28  C27  N7    180.00   0.0  0
 DPS  CONST_36  S    C4   C5   C6    180.00   0.0  0
 DPS  CONST_37  C23  C24  C28  C20   180.00   0.0  0
 DPS  CONST_38  C25  C24  C28  C20     0.00   0.0  0
 DPS  CONST_39  H2   C2   C1   N1      0.00   0.0  0
 DPS  CONST_40  H6   C6   C1   N1      0.00   0.0  0
 DPS  CONST_41  H5   C5   C4   C3    180.00   0.0  0
 DPS  CONST_42  H3   C3   C4   C5    180.00   0.0  0
 DPS  CONST_43  H22  C22  C23  N7      0.00   0.0  0
 DPS  CONST_44  H14  C14  C12  C10   180.00   0.0  0
 DPS  CONST_45  H17  C17  C19  C10   180.00   0.0  0
 DPS  CONST_46  H19  C19  C10  C12   180.00   0.0  0
 DPS  CONST_47  H10  C10  C12  C14   180.00   0.0  0
 DPS  CONST_48  H12  C12  C14  C16   180.00   0.0  0
 DPS  CONST_49  H25  C25  C26  C21   180.00   0.0  0
 DPS  CONST_50  H26  C26  C21  C22   180.00   0.0  0
 DPS  CONST_51  HN7  N7   C23  C22     0.00   0.0  0
 DPS  CONST_52  H27  C27  N7   C23   180.00   0.0  0
 DPS  CONST_53  H21  C21  C22  C23   180.00   0.0  0
 DPS  Var_01    C11  C13  C15  N1    -55.11  30.0  1
 DPS  Var_02    C11  C7   C18  N1     55.97  30.0  1
 DPS  Var_03    C15  N1   C1   C2    171.73  30.0  2
 DPS  Var_04    C13  C15  N1   C1   -158.03  30.0  1
 DPS  Var_05    C7   C18  N1   C1    157.08  30.0  1
 DPS  Var_06    O1   S    C4   C3    -38.74  30.0  2
 DPS  Var_07    C24  C28  C20  C8    -68.57  30.0  2
 DPS  Var_08    C8   N    S    C4     38.28  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
 DPS  chir_01  C8   N   C20  C9   negativ
 DPS  chir_02  C11  C7  C13  C16  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
 DPS  plan-1  N1   0.020
 DPS  plan-1  C2   0.020
 DPS  plan-1  C3   0.020
 DPS  plan-1  C4   0.020
 DPS  plan-1  C5   0.020
 DPS  plan-1  C1   0.020
 DPS  plan-1  C6   0.020
 DPS  plan-1  H2   0.020
 DPS  plan-1  H3   0.020
 DPS  plan-1  H5   0.020
 DPS  plan-1  H6   0.020
 DPS  plan-1  S    0.020
 DPS  plan-2  C10  0.020
 DPS  plan-2  C11  0.020
 DPS  plan-2  C12  0.020
 DPS  plan-2  C14  0.020
 DPS  plan-2  C16  0.020
 DPS  plan-2  C17  0.020
 DPS  plan-2  C19  0.020
 DPS  plan-2  H10  0.020
 DPS  plan-2  H12  0.020
 DPS  plan-2  H14  0.020
 DPS  plan-2  H17  0.020
 DPS  plan-2  H19  0.020
 DPS  plan-3  N7   0.020
 DPS  plan-3  C20  0.020
 DPS  plan-3  C21  0.020
 DPS  plan-3  C22  0.020
 DPS  plan-3  C23  0.020
 DPS  plan-3  C24  0.020
 DPS  plan-3  C25  0.020
 DPS  plan-3  C26  0.020
 DPS  plan-3  C27  0.020
 DPS  plan-3  C28  0.020
 DPS  plan-3  H22  0.020
 DPS  plan-3  H25  0.020
 DPS  plan-3  H26  0.020
 DPS  plan-3  H27  0.020
 DPS  plan-3  HN7  0.020
 DPS  plan-3  H21  0.020
 DPS  plan-4  C8   0.020
 DPS  plan-4  C9   0.020
 DPS  plan-4  O3   0.020
 DPS  plan-4  O4   0.020

