# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Aug  7 09:59:52 2022
#   Inital geometry file: a 235 line input string
#   Ligand name: 3,3-difluorocyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1ccc2nc(C)c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7CC(F)(F)C7)nc2c1
#
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
 ZJJ  ZJJ  "3,3-difluorocyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate"  ligand  101  55  .  2022-08-11  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_ZJJ
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
 ZJJ  C10   C  C     0   0.561  -15.8491  20.3970  -15.6262
 ZJJ  C17   C  C     0   0.035  -19.1121  17.7429  -12.9062
 ZJJ  C21   C  CR6   0   0.468  -13.3990  15.8568  -16.1336
 ZJJ  C24   C  CR66  0   0.180  -12.0788  13.5898  -15.6957
 ZJJ  C26   C  CR6   0   0.137  -13.8378  14.9339  -15.1189
 ZJJ  C28   C  CR6   0   0.390   -9.8318  13.0686  -17.2800
 ZJJ  C01   C  CH1   0  -0.178  -13.5337  19.7177  -15.6567
 ZJJ  C02   C  CH2   0  -0.507  -12.7211  18.8660  -16.6380
 ZJJ  C03   C  CH1   0  -0.042  -13.7677  17.9355  -17.2327
 ZJJ  C04   C  CH2   0  -0.284  -14.9684  18.8448  -17.3979
 ZJJ  C06   C  C     0   0.562  -13.0182  21.1463  -15.5675
 ZJJ  C09   C  CT    0   0.046  -12.1428  22.8706  -14.1400
 ZJJ  C11   C  CH1   0  -0.146  -17.2234  20.4854  -16.2968
 ZJJ  C18   C  CH2   0  -0.484  -17.4534  21.9238  -16.7686
 ZJJ  C19   C  CH2   0  -0.463  -16.5069  22.3544  -17.8856
 ZJJ  C23   C  CR66  0   0.278  -11.6621  14.5087  -16.6771
 ZJJ  C27   C  CR16  0  -0.458  -10.5305  14.2414  -17.4683
 ZJJ  C29   C  CR16  0  -0.335  -10.2465  12.1435  -16.2910
 ZJJ  C30   C  CR16  0  -0.293  -11.3432  12.4012  -15.5183
 ZJJ  C32   C  CH3   0  -0.438   -8.2801  13.5796  -18.9930
 ZJJ  C33   C  CH3   0  -0.731  -15.0426  15.2312  -14.2890
 ZJJ  C34   C  C     0   0.616  -10.8881  23.4222  -14.7350
 ZJJ  C40   C  CT    0  -0.281   -8.5383  21.4290  -17.1901
 ZJJ  C41   C  CH2   0  -0.465   -8.1129  20.1374  -16.5528
 ZJJ  C42   C  CH2   0  -0.461   -7.1520  20.8960  -17.4041
 ZJJ  C43   C  CH3   0  -0.654   -9.5371  21.4469  -18.3184
 ZJJ  C44   C  CH1   0  -0.288  -13.3714  23.7755  -13.9920
 ZJJ  C45   C  C1    0  -0.204  -13.4856  25.1387  -14.5449
 ZJJ  C46   C  C1    0  -0.200  -14.4467  25.5334  -15.3834
 ZJJ  C47   C  CH2   0  -0.500  -15.5414  24.7040  -15.9804
 ZJJ  C48   C  CH2   0  -0.426  -15.4715  24.6844  -17.5095
 ZJJ  C49   C  CH2   0  -0.472  -12.5493  23.4280  -12.8033
 ZJJ  C50   C  CH2   0  -0.431  -16.5605  23.8581  -18.1945
 ZJJ  C51   C  C     0  -0.599  -17.9282  17.5829  -11.9331
 ZJJ  C52   C  C     0   0.722  -18.9568  17.2846  -10.8533
 ZJJ  C53   C  C     0  -0.593  -20.0688  17.8691  -11.7118
 ZJJ  F54   F  F     0  -0.335  -18.7585  17.8378   -9.6330
 ZJJ  F55   F  F     0  -0.339  -19.1135  15.9486  -10.6354
 ZJJ  N05   N  NT    0  -0.469  -14.8676  19.7215  -16.2398
 ZJJ  N08   N  NH1   0  -0.690  -12.4275  21.4993  -14.4023
 ZJJ  N13   N  NH1   0  -0.676  -18.2435  20.1361  -15.3362
 ZJJ  N22   N  N     0  -0.469  -12.3564  15.6592  -16.8700
 ZJJ  N25   N  N     0  -0.397  -13.1708  13.8373  -14.9295
 ZJJ  N35   N  NC1   0  -0.841  -10.1321  22.4906  -15.4002
 ZJJ  O07   O  O     0  -0.446  -13.1027  21.9096  -16.5102
 ZJJ  O12   O  O     0  -0.488  -15.6484  20.9871  -14.5725
 ZJJ  O15   O  O2    0  -0.482  -19.1289  18.8939  -13.7272
 ZJJ  O16   O  O     0  -0.504  -17.3780  18.0913  -14.8980
 ZJJ  O20   O  O2    0  -0.472  -14.1528  16.9417  -16.2809
 ZJJ  O31   O  O2    0  -0.462   -8.7481  12.7077  -17.9824
 ZJJ  O36   O  O     0  -0.434  -10.5552  24.5809  -14.6285
 ZJJ  O38   O  OS    0  -0.638   -7.6075  22.7908  -15.1098
 ZJJ  O39   O  OS    0  -0.634   -8.7994  24.0392  -16.9143
 ZJJ  S37   S  S     0   1.413   -8.6484  22.8338  -16.1220
 ZJJ  H171  H  H     0   0.267  -19.2909  16.8438  -13.4980
 ZJJ  H011  H  HCH1  0   0.289  -13.5550  19.2512  -14.6670
 ZJJ  H022  H  HCH2  0   0.288  -11.8933  18.3467  -16.1587
 ZJJ  H021  H  HCH2  0   0.281  -12.3120  19.4819  -17.4418
 ZJJ  H031  H  HCH1  0   0.289  -13.4575  17.4728  -18.1698
 ZJJ  H041  H  HCH2  0   0.267  -14.8869  19.4024  -18.3342
 ZJJ  H042  H  HCH2  0   0.279  -15.9022  18.2859  -17.4088
 ZJJ  H111  H  HCH1  0   0.275  -17.2909  19.8216  -17.1617
 ZJJ  H182  H  HCH2  0   0.247  -17.3725  22.5888  -15.9056
 ZJJ  H181  H  HCH2  0   0.257  -18.4842  22.0033  -17.1255
 ZJJ  H191  H  HCH2  0   0.235  -16.7612  21.7841  -18.7827
 ZJJ  H192  H  HCH2  0   0.242  -15.4754  22.0831  -17.6453
 ZJJ  H271  H  HCR6  0   0.282  -10.2487  14.9751  -18.2113
 ZJJ  H291  H  HCR6  0   0.270   -9.6820  11.2293  -16.1590
 ZJJ  H301  H  HCR6  0   0.266  -11.6642  11.6956  -14.7626
 ZJJ  H321  H  HCH3  0   0.263   -7.4042  13.1058  -19.4288
 ZJJ  H323  H  HCH3  0   0.231   -9.0280  13.7308  -19.7756
 ZJJ  H322  H  HCH3  0   0.231   -7.9921  14.5529  -18.5880
 ZJJ  H333  H  HCH3  0   0.254  -15.2069  14.4250  -13.5778
 ZJJ  H332  H  HCH3  0   0.255  -14.9257  16.1639  -13.7341
 ZJJ  H331  H  HCH3  0   0.255  -15.9367  15.3381  -14.9049
 ZJJ  H412  H  HCH2  0   0.285   -8.5800  19.2465  -16.9526
 ZJJ  H411  H  HCH2  0   0.285   -7.9291  20.1075  -15.4863
 ZJJ  H422  H  HCH2  0   0.286   -6.9434  20.5400  -18.4045
 ZJJ  H421  H  HCH2  0   0.284   -6.3160  21.3800  -16.9170
 ZJJ  H431  H  HCH3  0   0.255  -10.5644  21.4591  -17.9543
 ZJJ  H433  H  HCH3  0   0.257   -9.3883  22.3054  -18.9711
 ZJJ  H432  H  HCH3  0   0.257   -9.4108  20.5463  -18.9183
 ZJJ  H441  H  HCH1  0   0.299  -14.2709  23.1786  -14.0798
 ZJJ  H451  H  H     0   0.240  -12.7578  25.8698  -14.2173
 ZJJ  H461  H  H     0   0.233  -14.4384  26.5764  -15.6892
 ZJJ  H472  H  HCH2  0   0.229  -16.5104  25.1184  -15.6799
 ZJJ  H471  H  HCH2  0   0.236  -15.5091  23.6847  -15.5973
 ZJJ  H482  H  HCH2  0   0.218  -14.4930  24.3000  -17.8121
 ZJJ  H481  H  HCH2  0   0.223  -15.5221  25.7131  -17.8786
 ZJJ  H491  H  HCH2  0   0.285  -12.9532  22.7259  -12.0845
 ZJJ  H492  H  HCH2  0   0.280  -11.9028  24.1877  -12.3823
 ZJJ  H502  H  HCH2  0   0.233  -16.4543  24.0022  -19.2719
 ZJJ  H501  H  HCH2  0   0.219  -17.5472  24.2585  -17.9380
 ZJJ  H512  H  H     0   0.281  -17.4335  18.5374  -11.7467
 ZJJ  H532  H  H     0   0.282  -20.2470  18.9147  -11.4574
 ZJJ  H531  H  H     0   0.283  -21.0150  17.3319  -11.7485
 ZJJ  H081  H  HNH1  0   0.414  -12.4365  20.8533  -13.6265
 ZJJ  H131  H  HNH1  0   0.408  -18.8819  20.8525  -15.0259
 ZJJ  H351  H  HNC1  0   0.452  -10.3534  21.5079  -15.2787
 ZJJ  C14   C  C     0   0.767  -18.1854  18.9700  -14.6719
 ZJJ  H511  H  H     0   0.287  -17.1841  16.8172  -12.1458

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
 ZJJ  C32  O31   single    1.414  0.020  1.414
 ZJJ  C43  C40   single    1.507  0.020  1.507
 ZJJ  C42  C40   single    1.501  0.020  1.501
 ZJJ  C42  C41   single    1.491  0.020  1.491
 ZJJ  C50  C19   single    1.536  0.020  1.536
 ZJJ  C50  C48   single    1.529  0.020  1.529
 ZJJ  O31  C28   single    1.341  0.020  1.341
 ZJJ  C19  C18   single    1.526  0.020  1.526
 ZJJ  C40  C41   single    1.502  0.020  1.502
 ZJJ  C40  S37   single    1.768  0.020  1.768
 ZJJ  C48  C47   single    1.531  0.020  1.531
 ZJJ  C27  C28   aromatic  1.378  0.020  1.378
 ZJJ  C27  C23   aromatic  1.406  0.020  1.406
 ZJJ  C04  C03   single    1.515  0.020  1.515
 ZJJ  C04  N05   single    1.456  0.020  1.456
 ZJJ  O39  S37   double    1.450  0.020  1.450
 ZJJ  C28  C29   aromatic  1.416  0.020  1.416
 ZJJ  C03  C02   single    1.521  0.020  1.521
 ZJJ  C03  O20   single    1.429  0.020  1.429
 ZJJ  C02  C01   single    1.533  0.020  1.533
 ZJJ  C18  C11   single    1.531  0.020  1.531
 ZJJ  N22  C23   aromatic  1.357  0.020  1.357
 ZJJ  N22  C21   aromatic  1.292  0.020  1.292
 ZJJ  S37  N35   single    1.685  0.020  1.685
 ZJJ  S37  O38   double    1.453  0.020  1.453
 ZJJ  O07  C06   double    1.216  0.020  1.216
 ZJJ  C23  C24   aromatic  1.408  0.020  1.408
 ZJJ  C11  C10   single    1.532  0.020  1.532
 ZJJ  C11  N13   single    1.444  0.020  1.444
 ZJJ  N05  C01   single    1.456  0.020  1.456
 ZJJ  N05  C10   single    1.340  0.020  1.340
 ZJJ  O20  C21   single    1.329  0.020  1.329
 ZJJ  C47  C46   single    1.498  0.020  1.498
 ZJJ  N35  C34   single    1.372  0.020  1.372
 ZJJ  C01  C06   single    1.521  0.020  1.521
 ZJJ  C29  C30   aromatic  1.366  0.020  1.366
 ZJJ  C21  C26   aromatic  1.440  0.020  1.440
 ZJJ  C06  N08   single    1.353  0.020  1.353
 ZJJ  C10  O12   double    1.224  0.020  1.224
 ZJJ  O16  C14   double    1.215  0.020  1.215
 ZJJ  C46  C45   double    1.335  0.020  1.335
 ZJJ  N13  C14   single    1.343  0.020  1.343
 ZJJ  C24  C30   aromatic  1.409  0.020  1.409
 ZJJ  C24  N25   aromatic  1.357  0.020  1.357
 ZJJ  C14  O15   single    1.337  0.020  1.337
 ZJJ  C34  O36   double    1.210  0.020  1.210
 ZJJ  C34  C09   single    1.494  0.020  1.494
 ZJJ  N08  C09   single    1.425  0.020  1.425
 ZJJ  C26  N25   aromatic  1.297  0.020  1.297
 ZJJ  C26  C33   single    1.493  0.020  1.493
 ZJJ  C45  C44   single    1.475  0.020  1.475
 ZJJ  C09  C44   single    1.533  0.020  1.533
 ZJJ  C09  C49   single    1.504  0.020  1.504
 ZJJ  O15  C17   single    1.414  0.020  1.414
 ZJJ  C44  C49   single    1.487  0.020  1.487
 ZJJ  C17  C51   single    1.541  0.020  1.541
 ZJJ  C17  C53   single    1.536  0.020  1.536
 ZJJ  C51  C52   single    1.521  0.020  1.521
 ZJJ  C53  C52   single    1.522  0.020  1.522
 ZJJ  C52  F55   single    1.363  0.020  1.363
 ZJJ  C52  F54   single    1.354  0.020  1.354
 ZJJ  C17  H171  single    0.970  0.020  1.090
 ZJJ  C01  H011  single    0.970  0.020  1.090
 ZJJ  C02  H022  single    0.970  0.020  1.090
 ZJJ  C02  H021  single    0.970  0.020  1.090
 ZJJ  C03  H031  single    0.970  0.020  1.090
 ZJJ  C04  H041  single    0.970  0.020  1.090
 ZJJ  C04  H042  single    0.970  0.020  1.090
 ZJJ  C11  H111  single    0.970  0.020  1.090
 ZJJ  C18  H182  single    0.970  0.020  1.090
 ZJJ  C18  H181  single    0.970  0.020  1.090
 ZJJ  C19  H191  single    0.970  0.020  1.090
 ZJJ  C19  H192  single    0.970  0.020  1.090
 ZJJ  C27  H271  single    0.930  0.020  1.080
 ZJJ  C29  H291  single    0.930  0.020  1.080
 ZJJ  C30  H301  single    0.930  0.020  1.080
 ZJJ  C32  H321  single    0.970  0.020  1.090
 ZJJ  C32  H323  single    0.970  0.020  1.090
 ZJJ  C32  H322  single    0.970  0.020  1.090
 ZJJ  C33  H333  single    0.970  0.020  1.090
 ZJJ  C33  H332  single    0.970  0.020  1.090
 ZJJ  C33  H331  single    0.970  0.020  1.090
 ZJJ  C41  H412  single    0.970  0.020  1.090
 ZJJ  C41  H411  single    0.970  0.020  1.090
 ZJJ  C42  H422  single    0.970  0.020  1.090
 ZJJ  C42  H421  single    0.970  0.020  1.090
 ZJJ  C43  H431  single    0.970  0.020  1.090
 ZJJ  C43  H433  single    0.970  0.020  1.090
 ZJJ  C43  H432  single    0.970  0.020  1.090
 ZJJ  C44  H441  single    0.970  0.020  1.090
 ZJJ  C45  H451  single    0.930  0.020  1.080
 ZJJ  C46  H461  single    0.930  0.020  1.080
 ZJJ  C47  H472  single    0.970  0.020  1.090
 ZJJ  C47  H471  single    0.970  0.020  1.090
 ZJJ  C48  H482  single    0.970  0.020  1.090
 ZJJ  C48  H481  single    0.970  0.020  1.090
 ZJJ  C49  H491  single    0.970  0.020  1.090
 ZJJ  C49  H492  single    0.970  0.020  1.090
 ZJJ  C50  H502  single    0.970  0.020  1.090
 ZJJ  C50  H501  single    0.970  0.020  1.090
 ZJJ  C51  H511  single    0.970  0.020  1.090
 ZJJ  C51  H512  single    0.970  0.020  1.090
 ZJJ  C53  H532  single    0.970  0.020  1.090
 ZJJ  C53  H531  single    0.970  0.020  1.090
 ZJJ  N08  H081  single    0.860  0.020  1.020
 ZJJ  N13  H131  single    0.860  0.020  1.020
 ZJJ  N35  H351  single    0.860  0.020  1.020

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
 ZJJ  O12   C10  N05   121.13  3.000
 ZJJ  O12   C10  C11   119.74  3.000
 ZJJ  N05   C10  C11   119.06  3.000
 ZJJ  H171  C17  O15   110.73  3.000
 ZJJ  H171  C17  C53   112.80  3.000
 ZJJ  O15   C17  C53   112.17  3.000
 ZJJ  H171  C17  C51   112.51  3.000
 ZJJ  C53   C17  C51    89.77  3.000
 ZJJ  O15   C17  C51   117.41  3.000
 ZJJ  O20   C21  N22   121.29  3.000
 ZJJ  O20   C21  C26   115.36  3.000
 ZJJ  N22   C21  C26   123.34  3.000
 ZJJ  N25   C24  C30   120.19  3.000
 ZJJ  N25   C24  C23   120.86  3.000
 ZJJ  C30   C24  C23   118.95  3.000
 ZJJ  N25   C26  C33   120.13  3.000
 ZJJ  C33   C26  C21   120.67  3.000
 ZJJ  N25   C26  C21   119.20  3.000
 ZJJ  O31   C28  C29   115.26  3.000
 ZJJ  C29   C28  C27   120.19  3.000
 ZJJ  O31   C28  C27   124.56  3.000
 ZJJ  H011  C01  N05   110.21  3.000
 ZJJ  H011  C01  C06   110.72  3.000
 ZJJ  N05   C01  C06   109.36  3.000
 ZJJ  H011  C01  C02   110.64  3.000
 ZJJ  C06   C01  C02   112.32  3.000
 ZJJ  N05   C01  C02   103.35  3.000
 ZJJ  H021  C02  H022  107.96  3.000
 ZJJ  H021  C02  C03   108.36  3.000
 ZJJ  H022  C02  C03   113.80  3.000
 ZJJ  H021  C02  C01   110.88  3.000
 ZJJ  H022  C02  C01   112.73  3.000
 ZJJ  C03   C02  C01   103.02  3.000
 ZJJ  H031  C03  O20   110.73  3.000
 ZJJ  H031  C03  C04   112.73  3.000
 ZJJ  O20   C03  C04   106.05  3.000
 ZJJ  H031  C03  C02   113.57  3.000
 ZJJ  O20   C03  C02   110.51  3.000
 ZJJ  C04   C03  C02   102.75  3.000
 ZJJ  H042  C04  H041  108.51  3.000
 ZJJ  H042  C04  N05   112.12  3.000
 ZJJ  H041  C04  N05   111.66  3.000
 ZJJ  H042  C04  C03   111.89  3.000
 ZJJ  H041  C04  C03   109.91  3.000
 ZJJ  N05   C04  C03   102.69  3.000
 ZJJ  O07   C06  N08   122.29  3.000
 ZJJ  N08   C06  C01   116.31  3.000
 ZJJ  O07   C06  C01   121.37  3.000
 ZJJ  N08   C09  C49   117.79  3.000
 ZJJ  C49   C09  C44    58.60  3.000
 ZJJ  N08   C09  C44   115.20  3.000
 ZJJ  C49   C09  C34   116.36  3.000
 ZJJ  C44   C09  C34   119.57  3.000
 ZJJ  N08   C09  C34   116.73  3.000
 ZJJ  H111  C11  N13   109.64  3.000
 ZJJ  H111  C11  C18   108.52  3.000
 ZJJ  N13   C11  C18   109.03  3.000
 ZJJ  H111  C11  C10   111.53  3.000
 ZJJ  N13   C11  C10   109.18  3.000
 ZJJ  C18   C11  C10   108.90  3.000
 ZJJ  H181  C18  H182  106.46  3.000
 ZJJ  H181  C18  C19   108.98  3.000
 ZJJ  H182  C18  C19   111.13  3.000
 ZJJ  H181  C18  C11   108.08  3.000
 ZJJ  H182  C18  C11   108.50  3.000
 ZJJ  C19   C18  C11   113.42  3.000
 ZJJ  H192  C19  H191  105.69  3.000
 ZJJ  H192  C19  C50   108.67  3.000
 ZJJ  H191  C19  C50   109.73  3.000
 ZJJ  H192  C19  C18   110.75  3.000
 ZJJ  H191  C19  C18   108.01  3.000
 ZJJ  C50   C19  C18   113.69  3.000
 ZJJ  N22   C23  C27   119.52  3.000
 ZJJ  N22   C23  C24   120.06  3.000
 ZJJ  C27   C23  C24   120.42  3.000
 ZJJ  H271  C27  C23   117.85  3.000
 ZJJ  H271  C27  C28   122.62  3.000
 ZJJ  C23   C27  C28   119.53  3.000
 ZJJ  H291  C29  C30   120.60  3.000
 ZJJ  H291  C29  C28   118.95  3.000
 ZJJ  C30   C29  C28   120.45  3.000
 ZJJ  H301  C30  C29   120.66  3.000
 ZJJ  H301  C30  C24   118.88  3.000
 ZJJ  C29   C30  C24   120.47  3.000
 ZJJ  H322  C32  H323  108.81  3.000
 ZJJ  H322  C32  H321  108.93  3.000
 ZJJ  H323  C32  H321  108.94  3.000
 ZJJ  H322  C32  O31   111.80  3.000
 ZJJ  H323  C32  O31   111.74  3.000
 ZJJ  H321  C32  O31   106.53  3.000
 ZJJ  H331  C33  H332  106.92  3.000
 ZJJ  H331  C33  H333  108.55  3.000
 ZJJ  H332  C33  H333  108.49  3.000
 ZJJ  H331  C33  C26   111.54  3.000
 ZJJ  H332  C33  C26   111.49  3.000
 ZJJ  H333  C33  C26   109.75  3.000
 ZJJ  O36   C34  N35   122.77  3.000
 ZJJ  O36   C34  C09   123.32  3.000
 ZJJ  N35   C34  C09   113.90  3.000
 ZJJ  S37   C40  C43   113.68  3.000
 ZJJ  S37   C40  C42   115.21  3.000
 ZJJ  C43   C40  C42   120.65  3.000
 ZJJ  S37   C40  C41   116.40  3.000
 ZJJ  C42   C40  C41    59.56  3.000
 ZJJ  C43   C40  C41   121.04  3.000
 ZJJ  H411  C41  H412  114.48  3.000
 ZJJ  H411  C41  C42   117.84  3.000
 ZJJ  H412  C41  C42   119.08  3.000
 ZJJ  H411  C41  C40   119.33  3.000
 ZJJ  H412  C41  C40   115.40  3.000
 ZJJ  C42   C41  C40    60.18  3.000
 ZJJ  H421  C42  H422  114.48  3.000
 ZJJ  H421  C42  C41   117.94  3.000
 ZJJ  H422  C42  C41   118.99  3.000
 ZJJ  H421  C42  C40   119.40  3.000
 ZJJ  H422  C42  C40   115.26  3.000
 ZJJ  C41   C42  C40    60.26  3.000
 ZJJ  H432  C43  H433  107.81  3.000
 ZJJ  H432  C43  H431  107.60  3.000
 ZJJ  H433  C43  H431  108.68  3.000
 ZJJ  H432  C43  C40   109.00  3.000
 ZJJ  H433  C43  C40   111.57  3.000
 ZJJ  H431  C43  C40   112.01  3.000
 ZJJ  H441  C44  C49   113.28  3.000
 ZJJ  H441  C44  C45   114.49  3.000
 ZJJ  C49   C44  C45   123.95  3.000
 ZJJ  H441  C44  C09   109.42  3.000
 ZJJ  C49   C44  C09    59.73  3.000
 ZJJ  C45   C44  C09   124.84  3.000
 ZJJ  H451  C45  C46   118.32  3.000
 ZJJ  H451  C45  C44   117.30  3.000
 ZJJ  C46   C45  C44   124.35  3.000
 ZJJ  H461  C46  C47   115.15  3.000
 ZJJ  H461  C46  C45   117.06  3.000
 ZJJ  C47   C46  C45   127.79  3.000
 ZJJ  H471  C47  H472  106.47  3.000
 ZJJ  H471  C47  C48   109.75  3.000
 ZJJ  H472  C47  C48   108.61  3.000
 ZJJ  H471  C47  C46   110.88  3.000
 ZJJ  H472  C47  C46   109.13  3.000
 ZJJ  C48   C47  C46   111.83  3.000
 ZJJ  H481  C48  H482  106.16  3.000
 ZJJ  H481  C48  C50   108.91  3.000
 ZJJ  H482  C48  C50   108.86  3.000
 ZJJ  H481  C48  C47   108.84  3.000
 ZJJ  H482  C48  C47   108.76  3.000
 ZJJ  C50   C48  C47   114.96  3.000
 ZJJ  H492  C49  H491  114.80  3.000
 ZJJ  H492  C49  C44   118.49  3.000
 ZJJ  H491  C49  C44   118.43  3.000
 ZJJ  H492  C49  C09   116.37  3.000
 ZJJ  H491  C49  C09   116.77  3.000
 ZJJ  C44   C49  C09    61.67  3.000
 ZJJ  H501  C50  H502  105.68  3.000
 ZJJ  H501  C50  C48   109.82  3.000
 ZJJ  H502  C50  C48   107.54  3.000
 ZJJ  H501  C50  C19   110.02  3.000
 ZJJ  H502  C50  C19   108.91  3.000
 ZJJ  C48   C50  C19   114.46  3.000
 ZJJ  H512  C51  H511  109.80  3.000
 ZJJ  H512  C51  C52   110.91  3.000
 ZJJ  H511  C51  C52   117.58  3.000
 ZJJ  H512  C51  C17   111.44  3.000
 ZJJ  H511  C51  C17   118.34  3.000
 ZJJ  C52   C51  C17    87.08  3.000
 ZJJ  F55   C52  F54   105.86  3.000
 ZJJ  F54   C52  C53   117.29  3.000
 ZJJ  F55   C52  C53   112.51  3.000
 ZJJ  F54   C52  C51   117.42  3.000
 ZJJ  F55   C52  C51   112.56  3.000
 ZJJ  C53   C52  C51    91.05  3.000
 ZJJ  H531  C53  H532  109.81  3.000
 ZJJ  H531  C53  C52   117.68  3.000
 ZJJ  H532  C53  C52   110.86  3.000
 ZJJ  H531  C53  C17   118.34  3.000
 ZJJ  H532  C53  C17   111.23  3.000
 ZJJ  C52   C53  C17    87.25  3.000
 ZJJ  C04   N05  C01   112.36  3.000
 ZJJ  C01   N05  C10   119.27  3.000
 ZJJ  C04   N05  C10   128.09  3.000
 ZJJ  H081  N08  C09   118.43  3.000
 ZJJ  H081  N08  C06   119.40  3.000
 ZJJ  C09   N08  C06   119.78  3.000
 ZJJ  H131  N13  C14   119.47  3.000
 ZJJ  H131  N13  C11   118.68  3.000
 ZJJ  C14   N13  C11   120.55  3.000
 ZJJ  C23   N22  C21   117.48  3.000
 ZJJ  C26   N25  C24   119.04  3.000
 ZJJ  H351  N35  S37   116.14  3.000
 ZJJ  H351  N35  C34   118.66  3.000
 ZJJ  S37   N35  C34   123.68  3.000
 ZJJ  C14   O15  C17   116.62  3.000
 ZJJ  C03   O20  C21   119.25  3.000
 ZJJ  C32   O31  C28   118.41  3.000
 ZJJ  O39   S37  O38   118.68  3.000
 ZJJ  O38   S37  N35   109.05  3.000
 ZJJ  O39   S37  N35   108.15  3.000
 ZJJ  O38   S37  C40   110.66  3.000
 ZJJ  N35   S37  C40    98.73  3.000
 ZJJ  O39   S37  C40   109.68  3.000
 ZJJ  O16   C14  O15   124.01  3.000
 ZJJ  O15   C14  N13   111.60  3.000
 ZJJ  O16   C14  N13   124.38  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
 ZJJ  CONST_01  C27   C23  N22  C21    180.00   0.0  0
 ZJJ  CONST_02  C24   C23  N22  C21      0.00   0.0  0
 ZJJ  CONST_03  C24   N25  C26  C21      0.00   0.0  0
 ZJJ  CONST_04  C28   C27  C23  C24      0.00   0.0  0
 ZJJ  CONST_05  C28   C29  C30  C24      0.00   0.0  0
 ZJJ  CONST_06  C23   N22  C21  C26      0.00   0.0  0
 ZJJ  CONST_07  C23   C24  N25  C26      0.00   0.0  0
 ZJJ  CONST_08  C30   C24  N25  C26    180.00   0.0  0
 ZJJ  CONST_09  N22   C23  C27  C28    180.00   0.0  0
 ZJJ  CONST_10  C29   C28  C27  C23      0.00   0.0  0
 ZJJ  CONST_11  C29   C30  C24  C23      0.00   0.0  0
 ZJJ  CONST_12  C30   C29  C28  C27      0.00   0.0  0
 ZJJ  CONST_13  C30   C24  C23  C27      0.00   0.0  0
 ZJJ  CONST_14  N25   C24  C23  C27    180.00   0.0  0
 ZJJ  CONST_15  N25   C24  C30  C29    180.00   0.0  0
 ZJJ  CONST_16  N22   C23  C24  C30    180.00   0.0  0
 ZJJ  CONST_17  N25   C24  C23  N22      0.00   0.0  0
 ZJJ  CONST_18  N25   C26  C21  N22      0.00   0.0  0
 ZJJ  CONST_19  C11   C10  N05  C01    180.00   0.0  0
 ZJJ  CONST_20  C09   N08  C06  C01    180.00   0.0  0
 ZJJ  CONST_21  C11   C10  N05  C04      0.00   0.0  0
 ZJJ  CONST_22  C33   C26  N25  C24    180.00   0.0  0
 ZJJ  CONST_23  O31   C28  C27  C23    180.00   0.0  0
 ZJJ  CONST_24  O20   C21  N22  C23    180.00   0.0  0
 ZJJ  CONST_25  O31   C28  C29  C30    180.00   0.0  0
 ZJJ  CONST_26  N22   C21  C26  C33    180.00   0.0  0
 ZJJ  CONST_27  O20   C21  C26  N25    180.00   0.0  0
 ZJJ  CONST_28  O12   C10  N05  C01      0.00   0.0  0
 ZJJ  CONST_29  O12   C10  N05  C04    180.00   0.0  0
 ZJJ  CONST_30  O07   C06  N08  C09      0.00   0.0  0
 ZJJ  CONST_31  H271  C27  C23  C24    180.00   0.0  0
 ZJJ  CONST_32  H291  C29  C30  C24    180.00   0.0  0
 ZJJ  CONST_33  H301  C30  C29  C28    180.00   0.0  0
 ZJJ  CONST_34  H301  C30  C24  C23    180.00   0.0  0
 ZJJ  CONST_35  H291  C29  C28  C27    180.00   0.0  0
 ZJJ  CONST_36  H271  C27  C28  C29    180.00   0.0  0
 ZJJ  CONST_37  H271  C27  C23  N22      0.00   0.0  0
 ZJJ  CONST_38  H301  C30  C24  N25      0.00   0.0  0
 ZJJ  CONST_39  H081  N08  C06  C01      0.00   0.0  0
 ZJJ  CONST_40  H081  N08  C06  O07    180.00   0.0  0
 ZJJ  CONST_41  S37   N35  C34  C09    180.00   0.0  0
 ZJJ  CONST_42  H351  N35  C34  C09      0.00   0.0  0
 ZJJ  CONST_43  S37   N35  C34  O36      0.00   0.0  0
 ZJJ  CONST_44  H351  N35  C34  O36    180.00   0.0  0
 ZJJ  Var_01    C47   C46  C45  C44     -3.10   0.0  0
 ZJJ  Var_02    C03   C04  N05  C10   -155.26  30.0  3
 ZJJ  Var_03    C53   C52  C51  C17    -16.62  30.0  1
 ZJJ  Var_04    C03   C04  N05  C01     18.63  30.0  3
 ZJJ  Var_05    C44   C09  N08  C06     65.61  30.0  1
 ZJJ  Var_06    C49   C09  N08  C06    131.84  30.0  1
 ZJJ  Var_07    C46   C45  C44  C09    122.95  30.0  1
 ZJJ  Var_08    C45   C44  C49  C09   -113.85  30.0  3
 ZJJ  Var_09    C50   C19  C18  C11   -169.86  30.0  1
 ZJJ  Var_10    C48   C50  C19  C18     96.89  30.0  1
 ZJJ  Var_11    C47   C48  C50  C19    -64.02  30.0  1
 ZJJ  Var_12    N08   C09  C49  C44   -104.01  30.0  3
 ZJJ  Var_13    C48   C47  C46  C45   -119.64  30.0  1
 ZJJ  Var_14    N08   C09  C44  C45   -139.12  30.0  1
 ZJJ  Var_15    C50   C48  C47  C46   -179.90  30.0  1
 ZJJ  Var_16    C49   C44  C45  C46   -162.82  30.0  1
 ZJJ  Var_17    F55   C52  C51  C17     98.35  30.0  1
 ZJJ  Var_18    F54   C52  C51  C17   -138.36  30.0  1
 ZJJ  Var_19    F55   C52  C53  C17    -98.34  30.0  1
 ZJJ  Var_20    F54   C52  C53  C17    138.53  30.0  1
 ZJJ  Var_21    C03   O20  C21  C26    177.86  30.0  2
 ZJJ  Var_22    N22   C21  O20  C03     -2.77  30.0  2
 ZJJ  Var_23    C34   C09  N08  C06    -82.33  30.0  1
 ZJJ  Var_24    C45   C44  C09  C34      7.85  30.0  1
 ZJJ  Var_25    C49   C44  C09  C34   -104.58  30.0  1
 ZJJ  Var_26    C43   C40  C42  C41   -110.31  30.0  1
 ZJJ  Var_27    S37   C40  C42  C41    107.06  30.0  1
 ZJJ  Var_28    H461  C46  C45  C44    177.82   0.0  0
 ZJJ  Var_29    H451  C45  C46  C47    179.12   0.0  0
 ZJJ  Var_30    H041  C04  N05  C10     87.03  30.0  3
 ZJJ  Var_31    H042  C04  N05  C10    -34.99  30.0  3
 ZJJ  Var_32    H041  C04  N05  C01    -99.08  30.0  3
 ZJJ  Var_33    H042  C04  N05  C01    138.89  30.0  3
 ZJJ  Var_34    H451  C45  C44  C09    -59.25  30.0  1
 ZJJ  Var_35    H491  C49  C44  C09   -106.86  30.0  3
 ZJJ  Var_36    H492  C49  C44  C09    106.35  30.0  3
 ZJJ  Var_37    H441  C44  C49  C09     99.67  30.0  3
 ZJJ  Var_38    H191  C19  C18  C11     68.12  30.0  1
 ZJJ  Var_39    H192  C19  C18  C11    -47.17  30.0  1
 ZJJ  Var_40    H502  C50  C19  C18   -142.72  30.0  1
 ZJJ  Var_41    H501  C50  C19  C18    -27.32  30.0  1
 ZJJ  Var_42    H482  C48  C50  C19     58.24  30.0  1
 ZJJ  Var_43    H481  C48  C50  C19    173.58  30.0  1
 ZJJ  Var_44    H412  C41  C42  C40    104.29  30.0  1
 ZJJ  Var_45    H411  C41  C42  C40   -109.62  30.0  1
 ZJJ  Var_46    H422  C42  C41  C40   -104.20  30.0  1
 ZJJ  Var_47    H421  C42  C41  C40    109.69  30.0  1
 ZJJ  Var_48    H081  N08  C09  C44    -96.76  30.0  1
 ZJJ  Var_49    H472  C47  C46  C45    120.18  30.0  1
 ZJJ  Var_50    H471  C47  C46  C45      3.21  30.0  1
 ZJJ  Var_51    H491  C49  C44  C45    139.29  30.0  3
 ZJJ  Var_52    H492  C49  C44  C45     -7.51  30.0  3
 ZJJ  Var_53    H482  C48  C47  C46     57.79  30.0  1
 ZJJ  Var_54    H481  C48  C47  C46    -57.46  30.0  1
 ZJJ  Var_55    H441  C44  C45  C46    -16.70  30.0  1
 ZJJ  Var_56    H502  C50  C48  C47    174.83  30.0  1
 ZJJ  Var_57    H501  C50  C48  C47     60.29  30.0  1
 ZJJ  Var_58    H191  C19  C50  C48   -142.05  30.0  1
 ZJJ  Var_59    H192  C19  C50  C48    -26.93  30.0  1
 ZJJ  Var_60    H461  C46  C47  C48     59.45  30.0  1
 ZJJ  Var_61    H081  N08  C09  C49    -30.53  30.0  1
 ZJJ  Var_62    H451  C45  C44  C49     14.98  30.0  1
 ZJJ  Var_63    H182  C18  C19  C50    -47.30  30.0  1
 ZJJ  Var_64    H181  C18  C19  C50     69.71  30.0  1
 ZJJ  Var_65    H472  C47  C48  C50    -59.42  30.0  1
 ZJJ  Var_66    H471  C47  C48  C50     56.61  30.0  1
 ZJJ  Var_67    H532  C53  C52  C51    -95.01  30.0  1
 ZJJ  Var_68    H531  C53  C52  C51    137.44  30.0  1
 ZJJ  Var_69    H511  C51  C52  C53   -137.27  30.0  1
 ZJJ  Var_70    H512  C51  C52  C53     95.23  30.0  1
 ZJJ  Var_71    H441  C44  C09  N08      2.22  30.0  1
 ZJJ  Var_72    H491  C49  C09  N08      5.50  30.0  3
 ZJJ  Var_73    H492  C49  C09  N08    146.25  30.0  3
 ZJJ  Var_74    C32   O31  C28  C27     -0.20  30.0  3
 ZJJ  Var_75    C32   O31  C28  C29    179.66  30.0  3
 ZJJ  Var_76    O39   S37  C40  C41    168.46  30.0  3
 ZJJ  Var_77    N35   S37  C40  C41    -78.60  30.0  3
 ZJJ  Var_78    O38   S37  C40  C41     35.65  30.0  3
 ZJJ  Var_79    O39   S37  C40  C42    101.51  30.0  3
 ZJJ  Var_80    N35   S37  C40  C42   -145.55  30.0  3
 ZJJ  Var_81    O38   S37  C40  C42    -31.29  30.0  3
 ZJJ  Var_82    N35   C34  C09  C44   -150.10  30.0  2
 ZJJ  Var_83    O36   C34  C09  C44     30.80  30.0  2
 ZJJ  Var_84    N35   C34  C09  C49    142.69  30.0  2
 ZJJ  Var_85    O36   C34  C09  C49    -36.40  30.0  2
 ZJJ  Var_86    N35   C34  C09  N08     -3.62  30.0  2
 ZJJ  Var_87    O36   C34  C09  N08    177.28  30.0  2
 ZJJ  Var_88    H333  C33  C26  C21   -179.51  30.0  2
 ZJJ  Var_89    H332  C33  C26  C21    -59.28  30.0  2
 ZJJ  Var_90    H331  C33  C26  C21     60.16  30.0  2
 ZJJ  Var_91    H081  N08  C09  C34    115.30  30.0  1
 ZJJ  Var_92    H441  C44  C09  C34    149.19  30.0  1
 ZJJ  Var_93    H491  C49  C09  C34   -140.45  30.0  3
 ZJJ  Var_94    H492  C49  C09  C34      0.31  30.0  3
 ZJJ  Var_95    H431  C43  C40  C41     85.78  30.0  3
 ZJJ  Var_96    H433  C43  C40  C41   -152.13  30.0  3
 ZJJ  Var_97    H432  C43  C40  C41    -33.17  30.0  3
 ZJJ  Var_98    H431  C43  C40  C42    156.47  30.0  3
 ZJJ  Var_99    H433  C43  C40  C42    -81.44  30.0  3
 ZJJ  Var_100   H432  C43  C40  C42     37.51  30.0  3
 ZJJ  Var_101   H422  C42  C40  C43      0.03  30.0  1
 ZJJ  Var_102   H421  C42  C40  C43    142.38  30.0  1
 ZJJ  Var_103   H412  C41  C40  C43     -0.70  30.0  1
 ZJJ  Var_104   H411  C41  C40  C43   -143.16  30.0  1
 ZJJ  Var_105   H511  C51  C52  F54    100.99  30.0  1
 ZJJ  Var_106   H512  C51  C52  F54    -26.50  30.0  1
 ZJJ  Var_107   H532  C53  C52  F54     26.84  30.0  1
 ZJJ  Var_108   H531  C53  C52  F54   -100.70  30.0  1
 ZJJ  Var_109   H511  C51  C52  F55    -22.30  30.0  1
 ZJJ  Var_110   H512  C51  C52  F55   -149.80  30.0  1
 ZJJ  Var_111   H532  C53  C52  F55    149.97  30.0  1
 ZJJ  Var_112   H531  C53  C52  F55     22.43  30.0  1
 ZJJ  Var_113   H333  C33  C26  N25      0.33  30.0  2
 ZJJ  Var_114   H332  C33  C26  N25    120.55  30.0  2
 ZJJ  Var_115   H331  C33  C26  N25   -120.01  30.0  2
 ZJJ  Var_116   H422  C42  C40  S37   -142.60  30.0  1
 ZJJ  Var_117   H421  C42  C40  S37     -0.25  30.0  1
 ZJJ  Var_118   H412  C41  C40  S37    144.58  30.0  1
 ZJJ  Var_119   H411  C41  C40  S37      2.13  30.0  1
 ZJJ  Var_120   H461  C46  C45  H451     0.04   0.0  0
 ZJJ  Var_121   O16   C14  O15  C17      3.80  30.0  1
 ZJJ  Var_122   N13   C14  O15  C17   -176.20  30.0  1
 ZJJ  Var_123   O16   C14  N13  C11     -6.89  30.0  2
 ZJJ  Var_124   O15   C14  N13  C11    173.11  30.0  2
 ZJJ  Var_125   C40   S37  N35  C34   -162.08  30.0  1
 ZJJ  Var_126   O39   S37  C40  C43    -43.73  30.0  3
 ZJJ  Var_127   N35   S37  C40  C43     69.21  30.0  3
 ZJJ  Var_128   O38   S37  C40  C43   -176.54  30.0  3
 ZJJ  Var_129   H321  C32  O31  C28    179.76  30.0  3
 ZJJ  Var_130   H323  C32  O31  C28    -61.37  30.0  3
 ZJJ  Var_131   H322  C32  O31  C28     60.87  30.0  3
 ZJJ  Var_132   H351  N35  S37  C40     32.25  30.0  3
 ZJJ  Var_133   H431  C43  C40  S37    -60.37  30.0  3
 ZJJ  Var_134   H433  C43  C40  S37     61.72  30.0  3
 ZJJ  Var_135   H432  C43  C40  S37   -179.33  30.0  3
 ZJJ  Var_136   O39   S37  N35  C34    -47.94  30.0  1
 ZJJ  Var_137   O38   S37  N35  C34     82.41  30.0  1
 ZJJ  Var_138   H131  N13  C14  O15      6.27  30.0  2
 ZJJ  Var_139   H131  N13  C14  O16   -173.73  30.0  2
 ZJJ  Var_140   H351  N35  S37  O38    -83.26  30.0  3
 ZJJ  Var_141   H351  N35  S37  O39    146.39  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
 ZJJ  chir_01  C17  O15  C51  C53  negativ
 ZJJ  chir_02  C01  C02  N05  C06  positiv
 ZJJ  chir_03  C03  O20  C04  C02  negativ
 ZJJ  chir_05  C11  C18  C10  N13  negativ
 ZJJ  chir_06  C09  N08  C44  C49  both
 ZJJ  chir_07  C40  C41  C42  C43  both
 ZJJ  chir_08  C44  C49  C09  C45  both

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
 ZJJ  plan-1  N13   0.020
 ZJJ  plan-1  O15   0.020
 ZJJ  plan-1  O16   0.020
 ZJJ  plan-1  C14   0.020
 ZJJ  plan-2  C44   0.020
 ZJJ  plan-2  C45   0.020
 ZJJ  plan-2  C46   0.020
 ZJJ  plan-2  C47   0.020
 ZJJ  plan-2  H451  0.020
 ZJJ  plan-2  H461  0.020
 ZJJ  plan-3  C10   0.020
 ZJJ  plan-3  C01   0.020
 ZJJ  plan-3  C04   0.020
 ZJJ  plan-3  C11   0.020
 ZJJ  plan-3  N05   0.020
 ZJJ  plan-3  O12   0.020
 ZJJ  plan-4  C01   0.020
 ZJJ  plan-4  C06   0.020
 ZJJ  plan-4  C09   0.020
 ZJJ  plan-4  N08   0.020
 ZJJ  plan-4  O07   0.020
 ZJJ  plan-4  H081  0.020
 ZJJ  plan-5  C09   0.020
 ZJJ  plan-5  C34   0.020
 ZJJ  plan-5  N35   0.020
 ZJJ  plan-5  O36   0.020
 ZJJ  plan-5  S37   0.020
 ZJJ  plan-5  H351  0.020
 ZJJ  plan-6  C21   0.020
 ZJJ  plan-6  C24   0.020
 ZJJ  plan-6  C26   0.020
 ZJJ  plan-6  C28   0.020
 ZJJ  plan-6  C23   0.020
 ZJJ  plan-6  C27   0.020
 ZJJ  plan-6  C29   0.020
 ZJJ  plan-6  C30   0.020
 ZJJ  plan-6  C33   0.020
 ZJJ  plan-6  N22   0.020
 ZJJ  plan-6  N25   0.020
 ZJJ  plan-6  O20   0.020
 ZJJ  plan-6  O31   0.020
 ZJJ  plan-6  H271  0.020
 ZJJ  plan-6  H291  0.020
 ZJJ  plan-6  H301  0.020

