# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Wed Jun 24 20:35:15 2020
#   Inital geometry file: a 169 line input string
#   Ligand name: methyl (2S,3R,4S)-3-ethyl-2-(beta-D-glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC[C@@H]1[C@H](C[C@@H]2NCCc3c2[nH]c4ccccc34)C(=CO[C@H]1O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)OC
#
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
 S55  S55  'methyl (2S,3R,4S)-3-ethyl-2-(beta-D-glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate'  ligand  74  38  .  2021-08-23  2021-08-23  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_S55
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
 S55  O24   O  O     0  -0.462   -3.7533   -8.7552  -3.1583
 S55  C21   C  C     0   0.572   -2.9054   -8.9790  -2.3229
 S55  O22   O  O2    0  -0.468   -2.3146  -10.1674  -2.2031
 S55  C23   C  CH3   0  -0.420   -2.6840  -11.1802  -3.1348
 S55  C20   C  C     0  -0.166   -2.4223   -7.9843  -1.3606
 S55  C19   C  C1    0   0.083   -1.3106   -8.2235  -0.6454
 S55  O18   O  O2    0  -0.454   -0.7357   -7.3610   0.1870
 S55  C17   C  CH1   0   0.353   -1.2934   -6.0517   0.3417
 S55  O27   O  O2    0  -0.496   -0.2275   -5.2080   0.6038
 S55  C28   C  CH1   0   0.290    0.2308   -5.1895   1.9130
 S55  O33   O  O2    0  -0.501   -0.6990   -4.4749   2.6802
 S55  C32   C  CH1   0  -0.052   -0.3837   -4.4537   4.0601
 S55  C33   C  CH2   0  -0.163   -1.5493   -3.7952   4.7759
 S55  O34   O  OH1   0  -0.660   -2.7497   -4.5108   4.6170
 S55  C31   C  CH1   0  -0.009    0.9333   -3.7020   4.2483
 S55  O35   O  OH1   0  -0.658    1.3189   -3.6217   5.6003
 S55  C30   C  CH1   0  -0.013    2.0306   -4.3489   3.3988
 S55  O36   O  OH1   0  -0.661    3.2185   -3.6042   3.4293
 S55  C29   C  CH1   0  -0.024    1.5886   -4.4870   1.9442
 S55  O37   O  OH1   0  -0.652    2.5382   -5.1415   1.1498
 S55  C16   C  CH1   0  -0.336   -2.0250   -5.5980  -0.9105
 S55  C25   C  CH2   0  -0.432   -2.5515   -4.1702  -0.7499
 S55  C26   C  CH3   0  -0.686   -3.3304   -3.6845  -1.9639
 S55  C15   C  CH1   0  -0.313   -3.1012   -6.6433  -1.2573
 S55  C14   C  CH2   0  -0.429   -4.2653   -6.6580  -0.2524
 S55  C13   C  CH1   0  -0.180   -5.5454   -7.3188  -0.7819
 S55  N12   N  NH1   0  -0.581   -6.0638   -6.5994  -1.9387
 S55  C11   C  CH2   0  -0.330   -6.9195   -5.4662  -1.6206
 S55  C10   C  CH2   0  -0.523   -8.1748   -5.8284  -0.8213
 S55  C7    C  CR5   0  -0.040   -7.7788   -6.7430   0.2881
 S55  C8    C  CR5   0   0.348   -6.5850   -7.4046   0.2934
 S55  C5    C  CR56  0   0.049   -8.4580   -7.1084   1.4927
 S55  C4    C  CR56  0   0.325   -7.6053   -7.9979   2.1882
 S55  N9    N  NR15  0  -0.753   -6.4740   -8.1528   1.4368
 S55  C6    C  CR16  0  -0.377   -9.6934   -6.7713   2.0545
 S55  C1    C  CR16  0  -0.271  -10.0500   -7.3228   3.2716
 S55  C2    C  CR16  0  -0.288   -9.1917   -8.2078   3.9427
 S55  C3    C  CR16  0  -0.315   -7.9617   -8.5565   3.4130
 S55  H231  H  HCH3  0   0.249   -2.1011  -12.0568  -2.8669
 S55  H232  H  HCH3  0   0.235   -2.4479  -10.8906  -4.1588
 S55  H233  H  HCH3  0   0.235   -3.7451  -11.4205  -3.0673
 S55  H19   H  H     0   0.290   -0.7555   -9.1519  -0.6907
 S55  H15   H  HCH1  0   0.279   -3.5131   -6.3879  -2.2350
 S55  H17   H  HCH1  0   0.223   -1.9837   -6.0937   1.1940
 S55  H16   H  HCH1  0   0.259   -1.3023   -5.5933  -1.7370
 S55  H28   H  HCH1  0   0.205    0.3353   -6.2134   2.3159
 S55  H29   H  HCH1  0   0.250    1.4599   -3.4864   1.5153
 S55  H32   H  HCH1  0   0.228   -0.2713   -5.4867   4.4334
 S55  H331  H  HCH2  0   0.205   -1.6443   -2.7565   4.4304
 S55  H332  H  HCH2  0   0.235   -1.3346   -3.7626   5.8442
 S55  H31   H  HCH1  0   0.246    0.7965   -2.6676   3.9121
 S55  H34   H  HOH1  0   0.442   -2.9692   -4.5211   3.6803
 S55  H35   H  HOH1  0   0.451    1.4097   -4.5147   5.9532
 S55  H30   H  HCH1  0   0.205    2.1971   -5.3678   3.7977
 S55  H36   H  HOH1  0   0.451    3.4882   -3.5140   4.3496
 S55  H37   H  HOH1  0   0.448    2.7516   -5.9934   1.5469
 S55  H251  H  HCH2  0   0.246   -1.7053   -3.5019  -0.5852
 S55  H252  H  HCH2  0   0.217   -3.1737   -4.0891   0.1458
 S55  H261  H  HCH3  0   0.224   -2.7150   -3.7194  -2.8651
 S55  H262  H  HCH3  0   0.238   -4.2217   -4.2836  -2.1524
 S55  H263  H  HCH3  0   0.235   -3.6535   -2.6525  -1.8258
 S55  H141  H  HCH2  0   0.244   -4.5240   -5.6369   0.0396
 S55  H142  H  HCH2  0   0.233   -3.9581   -7.1637   0.6676
 S55  H13   H  HCH1  0   0.263   -5.3064   -8.3325  -1.1144
 S55  H12   H  HNH1  0   0.350   -6.5657   -7.2443  -2.5351
 S55  H111  H  HCH2  0   0.239   -7.1948   -4.9762  -2.5560
 S55  H112  H  HCH2  0   0.226   -6.3341   -4.7386  -1.0511
 S55  H101  H  HCH2  0   0.229   -8.9147   -6.3023  -1.4763
 S55  H102  H  HCH2  0   0.232   -8.6451   -4.9179  -0.4382
 S55  H9    H  HNR5  0   0.401   -5.7017   -8.7554   1.6680
 S55  H6    H  HCR6  0   0.239  -10.3620   -6.0887   1.5436
 S55  H3    H  HCR6  0   0.255   -7.3022   -9.2390   3.9342
 S55  H1    H  HCR6  0   0.243  -11.0047   -7.0711   3.7158
 S55  H2    H  HCR6  0   0.246   -9.4962   -8.6255   4.8936

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
 S55  O24  C21   double    1.211  0.020  1.211
 S55  C21  O22   single    1.333  0.020  1.333
 S55  C21  C20   single    1.466  0.020  1.466
 S55  O22  C23   single    1.425  0.020  1.425
 S55  C23  H231  single    0.970  0.020  1.090
 S55  C23  H232  single    0.970  0.020  1.090
 S55  C23  H233  single    0.970  0.020  1.090
 S55  C20  C15   single    1.507  0.020  1.507
 S55  C20  C19   double    1.343  0.020  1.343
 S55  C19  H19   single    0.930  0.020  1.080
 S55  C19  O18   single    1.329  0.020  1.329
 S55  O18  C17   single    1.431  0.020  1.431
 S55  C17  H17   single    0.970  0.020  1.090
 S55  C17  O27   single    1.384  0.020  1.384
 S55  C17  C16   single    1.520  0.020  1.520
 S55  O27  C28   single    1.387  0.020  1.387
 S55  C28  H28   single    0.970  0.020  1.090
 S55  C28  O33   single    1.401  0.020  1.401
 S55  C28  C29   single    1.529  0.020  1.529
 S55  O33  C32   single    1.416  0.020  1.416
 S55  C32  H32   single    0.970  0.020  1.090
 S55  C32  C33   single    1.518  0.020  1.518
 S55  C32  C31   single    1.528  0.020  1.528
 S55  C33  H331  single    0.970  0.020  1.090
 S55  C33  H332  single    0.970  0.020  1.090
 S55  C33  O34   single    1.407  0.020  1.407
 S55  O34  H34   single    0.850  0.020  0.980
 S55  C31  H31   single    0.970  0.020  1.090
 S55  C31  O35   single    1.408  0.020  1.408
 S55  C31  C30   single    1.531  0.020  1.531
 S55  O35  H35   single    0.850  0.020  0.980
 S55  C30  H30   single    0.970  0.020  1.090
 S55  C30  O36   single    1.402  0.020  1.402
 S55  C30  C29   single    1.527  0.020  1.527
 S55  O36  H36   single    0.850  0.020  0.980
 S55  C29  H29   single    0.970  0.020  1.090
 S55  C29  O37   single    1.400  0.020  1.400
 S55  O37  H37   single    0.850  0.020  0.980
 S55  C16  C15   single    1.540  0.020  1.540
 S55  C16  H16   single    0.970  0.020  1.090
 S55  C16  C25   single    1.530  0.020  1.530
 S55  C25  H251  single    0.970  0.020  1.090
 S55  C25  H252  single    0.970  0.020  1.090
 S55  C25  C26   single    1.522  0.020  1.522
 S55  C26  H261  single    0.970  0.020  1.090
 S55  C26  H262  single    0.970  0.020  1.090
 S55  C26  H263  single    0.970  0.020  1.090
 S55  C15  C14   single    1.538  0.020  1.538
 S55  C15  H15   single    0.970  0.020  1.090
 S55  C14  C13   single    1.535  0.020  1.535
 S55  C14  H141  single    0.970  0.020  1.090
 S55  C14  H142  single    0.970  0.020  1.090
 S55  C13  N12   single    1.458  0.020  1.458
 S55  C13  C8    single    1.498  0.020  1.498
 S55  C13  H13   single    0.970  0.020  1.090
 S55  N12  C11   single    1.455  0.020  1.455
 S55  N12  H12   single    0.890  0.020  1.040
 S55  C11  C10   single    1.532  0.020  1.532
 S55  C11  H111  single    0.970  0.020  1.090
 S55  C11  H112  single    0.970  0.020  1.090
 S55  C10  C7    single    1.491  0.020  1.491
 S55  C10  H101  single    0.970  0.020  1.090
 S55  C10  H102  single    0.970  0.020  1.090
 S55  C7   C8    aromatic  1.365  0.020  1.365
 S55  C7   C5    aromatic  1.430  0.020  1.430
 S55  C8   N9    aromatic  1.371  0.020  1.371
 S55  C5   C4    aromatic  1.415  0.020  1.415
 S55  C5   C6    aromatic  1.398  0.020  1.398
 S55  C4   N9    aromatic  1.367  0.020  1.367
 S55  C4   C3    aromatic  1.393  0.020  1.393
 S55  N9   H9    single    0.860  0.020  1.020
 S55  C6   C1    aromatic  1.383  0.020  1.383
 S55  C6   H6    single    0.930  0.020  1.080
 S55  C1   C2    aromatic  1.404  0.020  1.404
 S55  C1   H1    single    0.930  0.020  1.080
 S55  C2   C3    aromatic  1.384  0.020  1.384
 S55  C2   H2    single    0.930  0.020  1.080
 S55  C3   H3    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
 S55  C20   C21  O22   113.58  3.000
 S55  C20   C21  O24   123.93  3.000
 S55  O22   C21  O24   122.49  3.000
 S55  C23   O22  C21   117.40  3.000
 S55  H233  C23  H232  109.12  3.000
 S55  H233  C23  H231  109.22  3.000
 S55  H232  C23  H231  109.26  3.000
 S55  H233  C23  O22   111.63  3.000
 S55  H232  C23  O22   111.67  3.000
 S55  H231  C23  O22   105.86  3.000
 S55  C15   C20  C19   119.67  3.000
 S55  C19   C20  C21   120.09  3.000
 S55  C15   C20  C21   120.03  3.000
 S55  H19   C19  O18   111.15  3.000
 S55  O18   C19  C20   125.15  3.000
 S55  H19   C19  C20   123.70  3.000
 S55  C17   O18  C19   119.51  3.000
 S55  H17   C17  C16   110.40  3.000
 S55  C16   C17  O27   110.16  3.000
 S55  H17   C17  O27   111.13  3.000
 S55  C16   C17  O18   111.82  3.000
 S55  O27   C17  O18   106.13  3.000
 S55  H17   C17  O18   107.10  3.000
 S55  C28   O27  C17   116.18  3.000
 S55  H28   C28  C29   109.53  3.000
 S55  C29   C28  O33   110.10  3.000
 S55  H28   C28  O33   109.61  3.000
 S55  C29   C28  O27   108.59  3.000
 S55  O33   C28  O27   107.71  3.000
 S55  H28   C28  O27   111.28  3.000
 S55  C32   O33  C28   113.17  3.000
 S55  H32   C32  C31   109.32  3.000
 S55  C31   C32  C33   112.97  3.000
 S55  H32   C32  C33   108.94  3.000
 S55  C31   C32  O33   108.62  3.000
 S55  C33   C32  O33   107.16  3.000
 S55  H32   C32  O33   109.77  3.000
 S55  H332  C33  H331  107.27  3.000
 S55  H332  C33  O34   107.10  3.000
 S55  H331  C33  O34   111.81  3.000
 S55  O34   C33  C32   112.41  3.000
 S55  H332  C33  C32   108.90  3.000
 S55  H331  C33  C32   109.16  3.000
 S55  H34   O34  C33   108.07  3.000
 S55  H31   C31  C30   108.54  3.000
 S55  C30   C31  O35   111.14  3.000
 S55  H31   C31  O35   105.95  3.000
 S55  C30   C31  C32   109.97  3.000
 S55  O35   C31  C32   112.47  3.000
 S55  H31   C31  C32   108.59  3.000
 S55  H35   O35  C31   108.92  3.000
 S55  H30   C30  C29   107.68  3.000
 S55  C29   C30  O36   108.30  3.000
 S55  H30   C30  O36   110.70  3.000
 S55  C29   C30  C31   111.07  3.000
 S55  O36   C30  C31   111.76  3.000
 S55  H30   C30  C31   107.27  3.000
 S55  H36   O36  C30   107.92  3.000
 S55  H29   C29  O37   106.52  3.000
 S55  O37   C29  C30   112.74  3.000
 S55  H29   C29  C30   108.92  3.000
 S55  O37   C29  C28   112.07  3.000
 S55  H29   C29  C28   107.88  3.000
 S55  C30   C29  C28   108.55  3.000
 S55  H37   O37  C29   109.24  3.000
 S55  H16   C16  C15   107.06  3.000
 S55  H16   C16  C25   107.55  3.000
 S55  C15   C16  C25   114.62  3.000
 S55  C25   C16  C17   110.97  3.000
 S55  H16   C16  C17   107.74  3.000
 S55  C15   C16  C17   108.63  3.000
 S55  H252  C25  H251  105.80  3.000
 S55  H252  C25  C26   109.79  3.000
 S55  H251  C25  C26   108.78  3.000
 S55  C26   C25  C16   112.97  3.000
 S55  H252  C25  C16   110.54  3.000
 S55  H251  C25  C16   108.70  3.000
 S55  H263  C26  H262  107.44  3.000
 S55  H263  C26  H261  107.57  3.000
 S55  H262  C26  H261  107.49  3.000
 S55  H263  C26  C25   110.65  3.000
 S55  H262  C26  C25   112.39  3.000
 S55  H261  C26  C25   111.09  3.000
 S55  H15   C15  C14   107.58  3.000
 S55  H15   C15  C16   107.86  3.000
 S55  C14   C15  C16   112.85  3.000
 S55  H15   C15  C20   108.48  3.000
 S55  C14   C15  C20   112.18  3.000
 S55  C16   C15  C20   107.74  3.000
 S55  H142  C14  H141  105.89  3.000
 S55  H142  C14  C13   108.99  3.000
 S55  H141  C14  C13   107.28  3.000
 S55  H142  C14  C15   109.96  3.000
 S55  H141  C14  C15   110.17  3.000
 S55  C13   C14  C15   114.20  3.000
 S55  H13   C13  C8    108.48  3.000
 S55  H13   C13  N12   107.10  3.000
 S55  C8    C13  N12   110.55  3.000
 S55  H13   C13  C14   108.78  3.000
 S55  C8    C13  C14   110.84  3.000
 S55  N12   C13  C14   110.97  3.000
 S55  H12   N12  C11   109.48  3.000
 S55  H12   N12  C13   109.25  3.000
 S55  C11   N12  C13   114.83  3.000
 S55  H112  C11  H111  106.42  3.000
 S55  H112  C11  C10   108.92  3.000
 S55  H111  C11  C10   110.29  3.000
 S55  H112  C11  N12   108.49  3.000
 S55  H111  C11  N12   108.10  3.000
 S55  C10   C11  N12   114.33  3.000
 S55  H102  C10  H101  106.19  3.000
 S55  H102  C10  C7    111.35  3.000
 S55  H101  C10  C7    111.01  3.000
 S55  H102  C10  C11   109.78  3.000
 S55  H101  C10  C11   110.10  3.000
 S55  C7    C10  C11   108.40  3.000
 S55  C5    C7   C8    106.75  3.000
 S55  C5    C7   C10   131.08  3.000
 S55  C8    C7   C10   122.17  3.000
 S55  N9    C8   C7    109.80  3.000
 S55  N9    C8   C13   125.01  3.000
 S55  C7    C8   C13   125.20  3.000
 S55  C6    C5   C4    119.11  3.000
 S55  C6    C5   C7    134.13  3.000
 S55  C4    C5   C7    106.76  3.000
 S55  C3    C4   N9    130.53  3.000
 S55  C3    C4   C5    122.02  3.000
 S55  N9    C4   C5    107.45  3.000
 S55  H9    N9   C4    125.21  3.000
 S55  H9    N9   C8    125.49  3.000
 S55  C4    N9   C8    109.24  3.000
 S55  H6    C6   C1    120.47  3.000
 S55  H6    C6   C5    120.50  3.000
 S55  C1    C6   C5    119.03  3.000
 S55  H1    C1   C2    119.32  3.000
 S55  H1    C1   C6    119.72  3.000
 S55  C2    C1   C6    120.96  3.000
 S55  H2    C2   C3    119.28  3.000
 S55  H2    C2   C1    119.43  3.000
 S55  C3    C2   C1    121.29  3.000
 S55  H3    C3   C2    121.06  3.000
 S55  H3    C3   C4    121.35  3.000
 S55  C2    C3   C4    117.59  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
 S55  CONST_01  C4    N9   C8   C7      0.00   0.0  0
 S55  CONST_02  N9    C4   C5   C7      0.00   0.0  0
 S55  CONST_03  C3    C4   C5   C7    180.00   0.0  0
 S55  CONST_04  C1    C6   C5   C7    180.00   0.0  0
 S55  CONST_05  C4    C5   C7   C8      0.00   0.0  0
 S55  CONST_06  C6    C5   C7   C8    180.00   0.0  0
 S55  CONST_07  C5    C4   N9   C8      0.00   0.0  0
 S55  CONST_08  C3    C4   N9   C8    180.00   0.0  0
 S55  CONST_09  N9    C8   C7   C5      0.00   0.0  0
 S55  CONST_10  C2    C3   C4   C5      0.00   0.0  0
 S55  CONST_11  C2    C1   C6   C5      0.00   0.0  0
 S55  CONST_12  C1    C6   C5   C4      0.00   0.0  0
 S55  CONST_13  C1    C2   C3   C4      0.00   0.0  0
 S55  CONST_14  C6    C5   C4   N9    180.00   0.0  0
 S55  CONST_15  C2    C3   C4   N9    180.00   0.0  0
 S55  CONST_16  C3    C4   C5   C6      0.00   0.0  0
 S55  CONST_17  C3    C2   C1   C6      0.00   0.0  0
 S55  CONST_18  H9    N9   C8   C13     0.00   0.0  0
 S55  CONST_19  H6    C6   C5   C7      0.00   0.0  0
 S55  CONST_20  H3    C3   C4   C5    180.00   0.0  0
 S55  CONST_21  H1    C1   C6   C5    180.00   0.0  0
 S55  CONST_22  H2    C2   C3   C4    180.00   0.0  0
 S55  Var_01    C15   C20  C19  O18     0.66  30.0  1
 S55  Var_02    C10   C11  N12  C13   -60.08  30.0  1
 S55  Var_03    C7    C10  C11  N12    45.95  30.0  1
 S55  Var_04    C8    C7   C10  C11   -16.96  30.0  1
 S55  Var_05    H19   C19  O18  C17   177.49  30.0  1
 S55  Var_06    C20   C21  O22  C23  -177.50  30.0  1
 S55  Var_07    H261  C26  C25  C16   -58.35  30.0  3
 S55  Var_08    H231  C23  O22  C21  -179.83  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
 S55  chir_01  C17  O18  O27  C16  negativ
 S55  chir_02  C28  O27  O33  C29  positiv
 S55  chir_03  C32  O33  C33  C31  positiv
 S55  chir_04  C31  O35  C32  C30  positiv
 S55  chir_05  C30  O36  C29  C31  positiv
 S55  chir_06  C29  O37  C30  C28  positiv
 S55  chir_07  C16  C25  C15  C17  positiv
 S55  chir_08  C15  C20  C16  C14  positiv
 S55  chir_09  C13  N12  C8   C14  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
 S55  plan-1  O24  0.020
 S55  plan-1  C21  0.020
 S55  plan-1  O22  0.020
 S55  plan-1  C20  0.020
 S55  plan-2  C13  0.020
 S55  plan-2  C10  0.020
 S55  plan-2  C7   0.020
 S55  plan-2  C8   0.020
 S55  plan-2  C5   0.020
 S55  plan-2  C4   0.020
 S55  plan-2  N9   0.020
 S55  plan-2  C6   0.020
 S55  plan-2  C1   0.020
 S55  plan-2  C2   0.020
 S55  plan-2  C3   0.020
 S55  plan-2  H9   0.020
 S55  plan-2  H6   0.020
 S55  plan-2  H3   0.020
 S55  plan-2  H1   0.020
 S55  plan-2  H2   0.020

