# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun May  3 16:40:55 2020
#   Inital geometry file: a 170 line input string
#   Ligand name: (1R)-1-cyclohexyl-3-phenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc2ccccc2)C3CCCCC3
#
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
 SBX  SBX  '(1R)-1-cyclohexyl-3-phenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate'  ligand  74  33  .  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_SBX
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
 SBX  C1    C  C     0   0.590   0.3331  -0.8155  -0.1889
 SBX  C2    C  CH1   0  -0.151   1.3356   0.0241   0.5942
 SBX  C3    C  CH2   0  -0.474   2.6805  -0.1510  -0.1292
 SBX  C4    C  CH2   0  -0.449   3.8592   0.3563   0.6821
 SBX  C5    C  CH2   0  -0.441   3.8806  -0.3714   2.0139
 SBX  C6    C  CH2   0  -0.312   2.5969  -0.0995   2.7690
 SBX  N7    N  NT    0  -0.475   1.3987  -0.4163   1.9852
 SBX  O1    O  O     0  -0.451   0.2683  -2.0149  -0.1116
 SBX  O2    O  O2    0  -0.466  -0.3267  -0.0645  -1.0529
 SBX  C8    C  C     0   0.511   0.2193  -0.5657   2.6165
 SBX  O3    O  O     0  -0.457  -0.8674  -0.4140   2.0814
 SBX  C9    C  C     0   0.334   0.2174  -1.0715   4.0618
 SBX  O4    O  O     0  -0.367   0.4794  -2.2374   4.2332
 SBX  C10   C  CT    0  -0.210  -0.2516  -0.1324   5.1625
 SBX  C11   C  CH2   0  -0.401   0.3350  -0.6206   6.5001
 SBX  C12   C  CH3   0  -0.680  -0.0486   0.2154   7.7139
 SBX  C13   C  CH3   0  -0.649  -1.7898  -0.2020   5.1856
 SBX  C14   C  CH3   0  -0.689   0.1879   1.3014   4.8557
 SBX  C15   C  CH1   0   0.016  -1.1602  -0.6565  -2.0725
 SBX  C16   C  CH2   0  -0.429  -0.7156  -0.0768  -3.4069
 SBX  C17   C  CH2   0  -0.527   0.7130  -0.4609  -3.7949
 SBX  C18   C  CR6   0   0.141   1.0708   0.0679  -5.1557
 SBX  C19   C  CR16  0  -0.313   1.6532   1.3252  -5.3007
 SBX  C20   C  CR16  0  -0.240   1.9387   1.8384  -6.5592
 SBX  C21   C  CR16  0  -0.274   1.6429   1.0981  -7.6966
 SBX  C22   C  CR16  0  -0.239   1.0641  -0.1578  -7.5649
 SBX  C23   C  CR16  0  -0.310   0.7809  -0.6660  -6.3041
 SBX  C24   C  CH1   0  -0.238  -2.6340  -0.4039  -1.7563
 SBX  C25   C  CH2   0  -0.443  -3.1336  -1.2627  -0.5930
 SBX  C26   C  CH2   0  -0.432  -4.6312  -1.0752  -0.3704
 SBX  C27   C  CH2   0  -0.429  -4.9727   0.3922  -0.1335
 SBX  C28   C  CH2   0  -0.430  -4.4683   1.2614  -1.2806
 SBX  C29   C  CH2   0  -0.427  -2.9719   1.0688  -1.5116
 SBX  H2    H  HCH1  0   0.278   1.0449   1.0795   0.5547
 SBX  H31   H  HCH2  0   0.265   2.6146   0.3708  -1.0856
 SBX  H32   H  HCH2  0   0.247   2.8403  -1.2102  -0.3466
 SBX  H41   H  HCH2  0   0.229   3.7786   1.4355   0.8442
 SBX  H42   H  HCH2  0   0.253   4.7827   0.1839   0.1277
 SBX  H51   H  HCH2  0   0.254   4.7126  -0.0391   2.6364
 SBX  H52   H  HCH2  0   0.236   4.0038  -1.4458   1.8528
 SBX  H61   H  HCH2  0   0.247   2.5743   0.9579   3.0526
 SBX  H62   H  HCH2  0   0.275   2.5855  -0.6852   3.6872
 SBX  H111  H  HCH2  0   0.230   1.4265  -0.6396   6.4196
 SBX  H112  H  HCH2  0   0.235   0.0225  -1.6529   6.6691
 SBX  H121  H  HCH3  0   0.238   0.4126  -0.2022   8.6090
 SBX  H122  H  HCH3  0   0.226   0.2892   1.2481   7.6284
 SBX  H123  H  HCH3  0   0.226  -1.1255   0.2295   7.8830
 SBX  H131  H  HCH3  0   0.239  -2.1398  -1.2064   5.4290
 SBX  H132  H  HCH3  0   0.244  -2.1740   0.4827   5.9421
 SBX  H133  H  HCH3  0   0.251  -2.2242   0.0880   4.2301
 SBX  H141  H  HCH3  0   0.241   1.2732   1.4113   4.8841
 SBX  H142  H  HCH3  0   0.246  -0.1643   1.6423   3.8810
 SBX  H143  H  HCH3  0   0.259  -0.2286   1.9868   5.5929
 SBX  H15   H  HCH1  0   0.248  -0.9924  -1.7374  -2.0894
 SBX  H161  H  HCH2  0   0.242  -1.4033  -0.4513  -4.1697
 SBX  H162  H  HCH2  0   0.241  -0.8147   1.0120  -3.4074
 SBX  H171  H  HCH2  0   0.247   1.4166  -0.0685  -3.0576
 SBX  H172  H  HCH2  0   0.245   0.8130  -1.5498  -3.7802
 SBX  H19   H  HCR6  0   0.244   1.8876   1.9083  -4.4170
 SBX  H20   H  HCR6  0   0.253   2.3950   2.8159  -6.6518
 SBX  H21   H  HCR6  0   0.253   1.8638   1.4962  -8.6785
 SBX  H22   H  HCR6  0   0.252   0.8353  -0.7439  -8.4459
 SBX  H23   H  HCR6  0   0.245   0.3315  -1.6486  -6.2111
 SBX  H24   H  HCH1  0   0.221  -3.1768  -0.7271  -2.6551
 SBX  H251  H  HCH2  0   0.222  -2.9073  -2.3155  -0.7848
 SBX  H252  H  HCH2  0   0.239  -2.6027  -0.9872   0.3217
 SBX  H261  H  HCH2  0   0.207  -5.1802  -1.4374  -1.2468
 SBX  H262  H  HCH2  0   0.225  -4.9615  -1.6832   0.4757
 SBX  H271  H  HCH2  0   0.225  -6.0510   0.5179  -0.0073
 SBX  H272  H  HCH2  0   0.207  -4.5085   0.7233   0.8020
 SBX  H281  H  HCH2  0   0.209  -5.0118   1.0007  -2.1956
 SBX  H282  H  HCH2  0   0.226  -4.6812   2.3145  -1.0817
 SBX  H291  H  HCH2  0   0.217  -2.4231   1.4237  -0.6332
 SBX  H292  H  HCH2  0   0.229  -2.6485   1.6847  -2.3548

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
 SBX  C1   C2    single    1.524  0.020  1.524
 SBX  C1   O1    double    1.204  0.020  1.204
 SBX  C1   O2    single    1.321  0.020  1.321
 SBX  C2   C3    single    1.537  0.020  1.537
 SBX  C2   N7    single    1.460  0.020  1.460
 SBX  C2   H2    single    0.970  0.020  1.090
 SBX  C3   C4    single    1.518  0.020  1.518
 SBX  C3   H31   single    0.970  0.020  1.090
 SBX  C3   H32   single    0.970  0.020  1.090
 SBX  C4   C5    single    1.518  0.020  1.518
 SBX  C4   H41   single    0.970  0.020  1.090
 SBX  C4   H42   single    0.970  0.020  1.090
 SBX  C5   C6    single    1.514  0.020  1.514
 SBX  C5   H51   single    0.970  0.020  1.090
 SBX  C5   H52   single    0.970  0.020  1.090
 SBX  C6   N7    single    1.466  0.020  1.466
 SBX  C6   H61   single    0.970  0.020  1.090
 SBX  C6   H62   single    0.970  0.020  1.090
 SBX  N7   C8    single    1.346  0.020  1.346
 SBX  O2   C15   single    1.444  0.020  1.444
 SBX  C8   O3    double    1.221  0.020  1.221
 SBX  C8   C9    single    1.531  0.020  1.531
 SBX  C9   O4    double    1.207  0.020  1.207
 SBX  C9   C10   single    1.521  0.020  1.521
 SBX  C10  C11   single    1.540  0.020  1.540
 SBX  C10  C13   single    1.540  0.020  1.540
 SBX  C10  C14   single    1.531  0.020  1.531
 SBX  C11  C12   single    1.523  0.020  1.523
 SBX  C11  H111  single    0.970  0.020  1.090
 SBX  C11  H112  single    0.970  0.020  1.090
 SBX  C12  H121  single    0.970  0.020  1.090
 SBX  C12  H122  single    0.970  0.020  1.090
 SBX  C12  H123  single    0.970  0.020  1.090
 SBX  C13  H131  single    0.970  0.020  1.090
 SBX  C13  H132  single    0.970  0.020  1.090
 SBX  C13  H133  single    0.970  0.020  1.090
 SBX  C14  H141  single    0.970  0.020  1.090
 SBX  C14  H142  single    0.970  0.020  1.090
 SBX  C14  H143  single    0.970  0.020  1.090
 SBX  C15  C16   single    1.521  0.020  1.521
 SBX  C15  C24   single    1.528  0.020  1.528
 SBX  C15  H15   single    0.970  0.020  1.090
 SBX  C16  C17   single    1.529  0.020  1.529
 SBX  C16  H161  single    0.970  0.020  1.090
 SBX  C16  H162  single    0.970  0.020  1.090
 SBX  C17  C18   single    1.503  0.020  1.503
 SBX  C17  H171  single    0.970  0.020  1.090
 SBX  C17  H172  single    0.970  0.020  1.090
 SBX  C18  C19   aromatic  1.393  0.020  1.393
 SBX  C18  C23   aromatic  1.393  0.020  1.393
 SBX  C19  C20   aromatic  1.389  0.020  1.389
 SBX  C19  H19   single    0.930  0.020  1.080
 SBX  C20  C21   aromatic  1.389  0.020  1.389
 SBX  C20  H20   single    0.930  0.020  1.080
 SBX  C21  C22   aromatic  1.389  0.020  1.389
 SBX  C21  H21   single    0.930  0.020  1.080
 SBX  C22  C23   aromatic  1.389  0.020  1.389
 SBX  C22  H22   single    0.930  0.020  1.080
 SBX  C23  H23   single    0.930  0.020  1.080
 SBX  C24  C25   single    1.530  0.020  1.530
 SBX  C24  C29   single    1.531  0.020  1.531
 SBX  C24  H24   single    0.970  0.020  1.090
 SBX  C25  C26   single    1.526  0.020  1.526
 SBX  C25  H251  single    0.970  0.020  1.090
 SBX  C25  H252  single    0.970  0.020  1.090
 SBX  C26  C27   single    1.525  0.020  1.525
 SBX  C26  H261  single    0.970  0.020  1.090
 SBX  C26  H262  single    0.970  0.020  1.090
 SBX  C27  C28   single    1.525  0.020  1.525
 SBX  C27  H271  single    0.970  0.020  1.090
 SBX  C27  H272  single    0.970  0.020  1.090
 SBX  C28  C29   single    1.526  0.020  1.526
 SBX  C28  H281  single    0.970  0.020  1.090
 SBX  C28  H282  single    0.970  0.020  1.090
 SBX  C29  H291  single    0.970  0.020  1.090
 SBX  C29  H292  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
 SBX  O2    C1   O1    125.55  3.000
 SBX  O2    C1   C2    110.57  3.000
 SBX  O1    C1   C2    123.46  3.000
 SBX  H2    C2   N7    109.66  3.000
 SBX  H2    C2   C3    108.96  3.000
 SBX  N7    C2   C3    112.09  3.000
 SBX  H2    C2   C1    109.74  3.000
 SBX  N7    C2   C1    110.59  3.000
 SBX  C3    C2   C1    105.72  3.000
 SBX  H32   C3   H31   107.33  3.000
 SBX  H32   C3   C4    108.46  3.000
 SBX  H31   C3   C4    110.81  3.000
 SBX  H32   C3   C2    109.39  3.000
 SBX  H31   C3   C2    107.77  3.000
 SBX  C4    C3   C2    112.94  3.000
 SBX  H42   C4   H41   107.07  3.000
 SBX  H42   C4   C5    110.99  3.000
 SBX  H41   C4   C5    110.11  3.000
 SBX  H42   C4   C3    109.45  3.000
 SBX  H41   C4   C3    110.59  3.000
 SBX  C5    C4   C3    108.64  3.000
 SBX  H52   C5   H51   107.31  3.000
 SBX  H52   C5   C6    110.22  3.000
 SBX  H51   C5   C6    107.90  3.000
 SBX  H52   C5   C4    110.08  3.000
 SBX  H51   C5   C4    111.43  3.000
 SBX  C6    C5   C4    109.85  3.000
 SBX  H62   C6   H61   107.51  3.000
 SBX  H62   C6   N7    109.02  3.000
 SBX  H61   C6   N7    109.28  3.000
 SBX  H62   C6   C5    109.43  3.000
 SBX  H61   C6   C5    108.67  3.000
 SBX  N7    C6   C5    112.80  3.000
 SBX  C8    N7   C6    119.29  3.000
 SBX  C8    N7   C2    116.25  3.000
 SBX  C6    N7   C2    118.64  3.000
 SBX  C15   O2   C1    121.13  3.000
 SBX  C9    C8   O3    116.98  3.000
 SBX  C9    C8   N7    118.71  3.000
 SBX  O3    C8   N7    124.10  3.000
 SBX  C10   C9   O4    124.08  3.000
 SBX  C10   C9   C8    118.65  3.000
 SBX  O4    C9   C8    116.92  3.000
 SBX  C14   C10  C13   109.40  3.000
 SBX  C14   C10  C11   111.20  3.000
 SBX  C13   C10  C11   110.68  3.000
 SBX  C14   C10  C9    110.17  3.000
 SBX  C13   C10  C9    106.92  3.000
 SBX  C11   C10  C9    108.38  3.000
 SBX  H112  C11  H111  106.28  3.000
 SBX  H112  C11  C12   108.88  3.000
 SBX  H111  C11  C12   108.62  3.000
 SBX  H112  C11  C10   108.98  3.000
 SBX  H111  C11  C10   108.75  3.000
 SBX  C12   C11  C10   114.98  3.000
 SBX  H123  C12  H122  107.82  3.000
 SBX  H123  C12  H121  107.18  3.000
 SBX  H122  C12  H121  107.23  3.000
 SBX  H123  C12  C11   112.31  3.000
 SBX  H122  C12  C11   112.31  3.000
 SBX  H121  C12  C11   109.73  3.000
 SBX  H133  C13  H132  107.52  3.000
 SBX  H133  C13  H131  108.23  3.000
 SBX  H132  C13  H131  108.08  3.000
 SBX  H133  C13  C10   111.92  3.000
 SBX  H132  C13  C10   109.51  3.000
 SBX  H131  C13  C10   111.43  3.000
 SBX  H143  C14  H142  106.53  3.000
 SBX  H143  C14  H141  107.41  3.000
 SBX  H142  C14  H141  108.23  3.000
 SBX  H143  C14  C10   110.12  3.000
 SBX  H142  C14  C10   112.28  3.000
 SBX  H141  C14  C10   112.01  3.000
 SBX  H15   C15  C24   108.33  3.000
 SBX  H15   C15  C16   108.54  3.000
 SBX  C24   C15  C16   113.60  3.000
 SBX  H15   C15  O2    109.12  3.000
 SBX  C24   C15  O2    110.05  3.000
 SBX  C16   C15  O2    107.13  3.000
 SBX  H162  C16  H161  106.49  3.000
 SBX  H162  C16  C17   109.55  3.000
 SBX  H161  C16  C17   108.94  3.000
 SBX  H162  C16  C15   110.69  3.000
 SBX  H161  C16  C15   107.32  3.000
 SBX  C17   C16  C15   113.56  3.000
 SBX  H172  C17  H171  106.85  3.000
 SBX  H172  C17  C18   109.92  3.000
 SBX  H171  C17  C18   109.35  3.000
 SBX  H172  C17  C16   109.40  3.000
 SBX  H171  C17  C16   109.90  3.000
 SBX  C18   C17  C16   111.32  3.000
 SBX  C23   C18  C19   118.46  3.000
 SBX  C23   C18  C17   120.75  3.000
 SBX  C19   C18  C17   120.75  3.000
 SBX  H19   C19  C20   119.69  3.000
 SBX  H19   C19  C18   119.39  3.000
 SBX  C20   C19  C18   120.91  3.000
 SBX  H20   C20  C21   120.06  3.000
 SBX  H20   C20  C19   119.85  3.000
 SBX  C21   C20  C19   120.09  3.000
 SBX  H21   C21  C22   120.24  3.000
 SBX  H21   C21  C20   120.23  3.000
 SBX  C22   C21  C20   119.53  3.000
 SBX  H22   C22  C23   119.84  3.000
 SBX  H22   C22  C21   120.02  3.000
 SBX  C23   C22  C21   120.14  3.000
 SBX  H23   C23  C22   119.61  3.000
 SBX  H23   C23  C18   119.52  3.000
 SBX  C22   C23  C18   120.87  3.000
 SBX  H24   C24  C29   107.74  3.000
 SBX  H24   C24  C25   107.19  3.000
 SBX  C29   C24  C25   110.27  3.000
 SBX  H24   C24  C15   104.99  3.000
 SBX  C29   C24  C15   113.89  3.000
 SBX  C25   C24  C15   112.30  3.000
 SBX  H252  C25  H251  106.79  3.000
 SBX  H252  C25  C26   108.89  3.000
 SBX  H251  C25  C26   110.30  3.000
 SBX  H252  C25  C24   109.65  3.000
 SBX  H251  C25  C24   109.84  3.000
 SBX  C26   C25  C24   111.25  3.000
 SBX  H262  C26  H261  106.48  3.000
 SBX  H262  C26  C27   110.32  3.000
 SBX  H261  C26  C27   109.27  3.000
 SBX  H262  C26  C25   109.96  3.000
 SBX  H261  C26  C25   109.54  3.000
 SBX  C27   C26  C25   111.15  3.000
 SBX  H272  C27  H271  106.55  3.000
 SBX  H272  C27  C28   109.26  3.000
 SBX  H271  C27  C28   110.34  3.000
 SBX  H272  C27  C26   109.18  3.000
 SBX  H271  C27  C26   110.46  3.000
 SBX  C28   C27  C26   110.94  3.000
 SBX  H282  C28  H281  106.54  3.000
 SBX  H282  C28  C29   109.89  3.000
 SBX  H281  C28  C29   109.27  3.000
 SBX  H282  C28  C27   110.36  3.000
 SBX  H281  C28  C27   109.18  3.000
 SBX  C29   C28  C27   111.48  3.000
 SBX  H292  C29  H291  106.74  3.000
 SBX  H292  C29  C28   109.61  3.000
 SBX  H291  C29  C28   109.21  3.000
 SBX  H292  C29  C24   110.70  3.000
 SBX  H291  C29  C24   109.24  3.000
 SBX  C28   C29  C24   111.22  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
 SBX  CONST_01  C21   C20  C19  C18     0.00   0.0  0
 SBX  CONST_02  C21   C22  C23  C18     0.00   0.0  0
 SBX  CONST_03  C22   C23  C18  C19     0.00   0.0  0
 SBX  CONST_04  C22   C21  C20  C19     0.00   0.0  0
 SBX  CONST_05  C23   C18  C19  C20     0.00   0.0  0
 SBX  CONST_06  C23   C22  C21  C20     0.00   0.0  0
 SBX  CONST_07  C20   C19  C18  C17   180.00   0.0  0
 SBX  CONST_08  C22   C23  C18  C17   180.00   0.0  0
 SBX  CONST_09  H20   C20  C19  C18   180.00   0.0  0
 SBX  CONST_10  H22   C22  C23  C18   180.00   0.0  0
 SBX  CONST_11  H23   C23  C18  C19   180.00   0.0  0
 SBX  CONST_12  H21   C21  C20  C19   180.00   0.0  0
 SBX  CONST_13  H19   C19  C20  C21   180.00   0.0  0
 SBX  CONST_14  O3    C8   N7   C2      0.00   0.0  0
 SBX  CONST_15  C9    C8   N7   C2    180.00   0.0  0
 SBX  Var_01    C5    C4   C3   C2     57.37  30.0  1
 SBX  Var_02    C5    C6   N7   C2    -45.22  30.0  1
 SBX  Var_03    C6    C5   C4   C3    -60.40  30.0  1
 SBX  Var_04    N7    C6   C5   C4     54.10  30.0  1
 SBX  Var_05    C27   C26  C25  C24   -56.50  30.0  1
 SBX  Var_06    C27   C28  C29  C24    55.79  30.0  1
 SBX  Var_07    C28   C27  C26  C25    55.50  30.0  1
 SBX  Var_08    C29   C28  C27  C26   -55.25  30.0  1
 SBX  Var_09    C19   C18  C17  C16    90.31  30.0  2
 SBX  Var_10    O4    C9   C8   N7    -72.60  30.0  2
 SBX  Var_11    C18   C17  C16  C15   176.57  30.0  3
 SBX  Var_12    C11   C10  C9   C8   -158.13  30.0  3
 SBX  Var_13    C12   C11  C10  C9   -179.73  30.0  3
 SBX  Var_14    H131  C13  C10  C9     62.27  30.0  3
 SBX  Var_15    H141  C14  C10  C9    -65.94  30.0  3
 SBX  Var_16    H121  C12  C11  C10  -179.84  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
 SBX  chir_01  C2   C1   C3   N7   positiv
 SBX  chir_02  C15  O2   C16  C24  positiv
 SBX  chir_03  C24  C29  C25  C15  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
 SBX  plan-1  C17  0.020
 SBX  plan-1  C18  0.020
 SBX  plan-1  C19  0.020
 SBX  plan-1  C20  0.020
 SBX  plan-1  C21  0.020
 SBX  plan-1  C22  0.020
 SBX  plan-1  C23  0.020
 SBX  plan-1  H19  0.020
 SBX  plan-1  H20  0.020
 SBX  plan-1  H21  0.020
 SBX  plan-1  H22  0.020
 SBX  plan-1  H23  0.020
 SBX  plan-2  C2   0.020
 SBX  plan-2  C6   0.020
 SBX  plan-2  N7   0.020
 SBX  plan-2  C8   0.020
 SBX  plan-2  O3   0.020
 SBX  plan-2  C9   0.020
 SBX  plan-3  C8   0.020
 SBX  plan-3  C9   0.020
 SBX  plan-3  O4   0.020
 SBX  plan-3  C10  0.020
 SBX  plan-4  C1   0.020
 SBX  plan-4  C2   0.020
 SBX  plan-4  O1   0.020
 SBX  plan-4  O2   0.020

