# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Mar 20 16:57:50 2022
#   Inital geometry file: a 172 line input string
#   Ligand name: N-[(2S,3R)-2-{[(1R,2S,3S,4R,6S)-6-amino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-lyxopyranosyl]oxy}-4-(ethylamino)-2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(=CC[C@H]2NC(C)=O)CN)[C@H](O)[C@H]1O[C@H]3OC[C@](C)(O)[C@@H](NC)[C@H]3O
#
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
 NTL  NTL  N-[(2S,3R)-2-{[(1R,2S,3S,4R,6S)-6-amino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-lyxopyranosyl]oxy}-4-(ethylamino)-2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide  ligand  79  36  .  2022-03-23  2022-03-23
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_NTL
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
 NTL  C01  C  CH3   0  -0.673  52.9758  47.9383  149.9760
 NTL  C02  C  CH2   0  -0.297  53.2544  47.4074  151.3706
 NTL  C04  C  CH1   0  -0.085  55.1324  46.6379  152.8154
 NTL  C05  C  CH2   0  -0.463  54.2354  45.7047  153.6272
 NTL  C06  C  CH1   0  -0.113  54.8531  45.3566  154.9756
 NTL  C08  C  CH1   0   0.040  55.0976  46.6634  155.7381
 NTL  C10  C  CH1   0   0.274  55.1915  47.0378  158.1109
 NTL  C12  C  C     0   0.395  53.6313  45.4663  158.9372
 NTL  C13  C  CH2   0  -0.382  52.1752  45.1172  158.9193
 NTL  C15  C  C1    0  -0.396  54.5979  44.7111  159.4543
 NTL  C16  C  CH2   0  -0.441  56.0215  45.1675  159.5340
 NTL  C17  C  CH1   0  -0.158  56.1067  46.6694  159.2762
 NTL  C20  C  CH3   0  -0.777  59.4953  48.3714  159.2696
 NTL  C22  C  CH1   0   0.021  56.0459  47.5759  154.9608
 NTL  C24  C  CH1   0   0.048  55.4543  47.9192  153.5966
 NTL  C26  C  CH1   0   0.210  55.9409  49.7562  152.1282
 NTL  C28  C  CH2   0  -0.200  57.4496  51.4102  152.8913
 NTL  C29  C  CT    0   0.182  58.0753  51.6552  151.5210
 NTL  C30  C  CH3   0  -0.695  59.5009  52.1652  151.6892
 NTL  C32  C  CH1   0  -0.133  58.0109  50.3743  150.6418
 NTL  C35  C  CH1   0   0.048  56.5900  49.7648  150.7294
 NTL  N03  N  NH1   0  -0.639  54.6360  46.9443  151.4751
 NTL  N07  N  NH2   0  -0.808  54.0415  44.3788  155.6715
 NTL  N14  N  NH2   0  -0.786  51.5935  45.2622  157.5888
 NTL  N18  N  NH1   0  -0.633  57.4565  47.1042  159.0207
 NTL  N33  N  NH1   0  -0.585  59.0989  49.4276  150.7595
 NTL  O09  O  O2    0  -0.512  55.6666  46.3546  156.9996
 NTL  O11  O  O2    0  -0.494  53.8562  46.7008  158.4046
 NTL  O21  O  O     0  -0.493  57.5637  48.6807  160.6401
 NTL  O23  O  OH1   0  -0.665  56.2913  48.7798  155.6477
 NTL  O25  O  O2    0  -0.500  56.4006  48.6864  152.8921
 NTL  O27  O  O2    0  -0.482  56.1120  50.9713  152.7890
 NTL  O31  O  OH1   0  -0.675  57.2998  52.6112  150.8109
 NTL  O36  O  OH1   0  -0.703  56.5564  48.5045  150.1302
 NTL  H1   H  HCH3  0   0.231  51.9376  48.2584  149.8898
 NTL  H2   H  HCH3  0   0.228  53.6125  48.7914  149.7402
 NTL  H3   H  HCH3  0   0.225  53.1487  47.1699  149.2202
 NTL  H4   H  HCH2  0   0.232  53.0899  48.2021  152.1007
 NTL  H5   H  HCH2  0   0.224  52.5328  46.6178  151.6101
 NTL  H6   H  HCH1  0   0.244  56.0889  46.1252  152.6589
 NTL  H7   H  HCH2  0   0.229  53.2533  46.1616  153.7948
 NTL  H8   H  HCH2  0   0.247  54.0633  44.7863  153.0610
 NTL  H9   H  HCH1  0   0.220  55.8307  44.8926  154.7904
 NTL  H10  H  HCH1  0   0.222  54.1324  47.1733  155.8674
 NTL  H11  H  HCH1  0   0.239  55.1750  48.1198  157.9493
 NTL  H13  H  HCH2  0   0.223  51.6617  45.7269  159.6767
 NTL  H14  H  HCH2  0   0.249  52.0713  44.0799  159.2383
 NTL  H15  H  H     0   0.247  54.3386  43.7343  159.8410
 NTL  H17  H  HCH2  0   0.254  56.4357  44.9506  160.5213
 NTL  H18  H  HCH2  0   0.244  56.6434  44.6188  158.8184
 NTL  H19  H  HCH1  0   0.280  55.7511  47.2080  160.1555
 NTL  H20  H  HCH3  0   0.265  60.1762  48.2299  160.1087
 NTL  H21  H  HCH3  0   0.248  59.8340  47.7522  158.4411
 NTL  H22  H  HCH3  0   0.265  59.5658  49.4169  158.9694
 NTL  H23  H  HCH1  0   0.215  56.9870  47.0287  154.7957
 NTL  H24  H  HCH1  0   0.226  54.5327  48.4978  153.7626
 NTL  H25  H  HCH1  0   0.232  54.8562  49.6722  151.9885
 NTL  H26  H  HCH2  0   0.214  58.0593  50.7118  153.4744
 NTL  H27  H  HCH2  0   0.236  57.4196  52.3471  153.4566
 NTL  H28  H  HCH3  0   0.235  59.4975  53.1251  152.2111
 NTL  H29  H  HCH3  0   0.231  60.1220  51.4847  152.2709
 NTL  H30  H  HCH3  0   0.238  59.9782  52.3152  150.7192
 NTL  H31  H  HCH1  0   0.239  58.1055  50.7434  149.6139
 NTL  H32  H  HCH3  0   0.224  60.2597  48.0997  151.8304
 NTL  H33  H  HCH3  0   0.186  59.6463  49.3876  152.8548
 NTL  H34  H  HCH3  0   0.238  58.5680  48.1108  152.2957
 NTL  H35  H  HCH1  0   0.196  55.9553  50.4702  150.1718
 NTL  H36  H  HNH1  0   0.366  54.7328  46.1099  150.9066
 NTL  H38  H  HNH2  0   0.342  54.5020  44.1191  156.5355
 NTL  H39  H  HNH2  0   0.345  53.1576  44.7858  155.9711
 NTL  H41  H  HNH2  0   0.360  50.6670  44.8553  157.5920
 NTL  H42  H  HNH2  0   0.350  51.4615  46.2433  157.3796
 NTL  H44  H  HNH1  0   0.399  57.9541  46.6491  158.2717
 NTL  H45  H  HNH1  0   0.349  59.9375  49.8600  150.3999
 NTL  H47  H  HOH1  0   0.453  56.9801  48.6267  156.3015
 NTL  H48  H  HOH1  0   0.441  57.2644  53.4234  151.3287
 NTL  H49  H  HOH1  0   0.459  55.8493  47.9666  150.5574
 NTL  C19  C  C     0   0.518  58.0846  48.0755  159.7146
 NTL  C34  C  CH3   0  -0.541  59.3970  48.7457  151.9993

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
 NTL  N33  C34  single  1.446  0.020  1.446
 NTL  N33  C32  single  1.447  0.020  1.447
 NTL  C01  C02  single  1.518  0.020  1.518
 NTL  O36  C35  single  1.396  0.020  1.396
 NTL  C32  C35  single  1.549  0.020  1.549
 NTL  C32  C29  single  1.555  0.020  1.555
 NTL  C35  C26  single  1.542  0.020  1.542
 NTL  C02  N03  single  1.461  0.020  1.461
 NTL  N03  C04  single  1.462  0.020  1.462
 NTL  C30  C29  single  1.523  0.020  1.523
 NTL  O31  C29  single  1.421  0.020  1.421
 NTL  C29  C28  single  1.526  0.020  1.526
 NTL  C26  O25  single  1.393  0.020  1.393
 NTL  C26  O27  single  1.394  0.020  1.394
 NTL  C04  C24  single  1.535  0.020  1.535
 NTL  C04  C05  single  1.528  0.020  1.528
 NTL  O25  C24  single  1.407  0.020  1.407
 NTL  C28  O27  single  1.411  0.020  1.411
 NTL  C24  C22  single  1.526  0.020  1.526
 NTL  C05  C06  single  1.523  0.020  1.523
 NTL  C22  O23  single  1.408  0.020  1.408
 NTL  C22  C08  single  1.528  0.020  1.528
 NTL  C06  N07  single  1.449  0.020  1.449
 NTL  C06  C08  single  1.533  0.020  1.533
 NTL  C08  O09  single  1.418  0.020  1.418
 NTL  N14  C13  single  1.459  0.020  1.459
 NTL  O09  C10  single  1.388  0.020  1.388
 NTL  O11  C10  single  1.408  0.020  1.408
 NTL  O11  C12  single  1.363  0.020  1.363
 NTL  C10  C17  single  1.527  0.020  1.527
 NTL  C13  C12  single  1.497  0.020  1.497
 NTL  C12  C15  double  1.331  0.020  1.331
 NTL  C15  C16  single  1.497  0.020  1.497
 NTL  C17  N18  single  1.441  0.020  1.441
 NTL  C17  C16  single  1.526  0.020  1.526
 NTL  N18  C19  single  1.349  0.020  1.349
 NTL  C19  C20  single  1.509  0.020  1.509
 NTL  C19  O21  double  1.222  0.020  1.222
 NTL  C01  H1   single  0.970  0.020  1.090
 NTL  C01  H2   single  0.970  0.020  1.090
 NTL  C01  H3   single  0.970  0.020  1.090
 NTL  C02  H4   single  0.970  0.020  1.090
 NTL  C02  H5   single  0.970  0.020  1.090
 NTL  C04  H6   single  0.970  0.020  1.090
 NTL  C05  H7   single  0.970  0.020  1.090
 NTL  C05  H8   single  0.970  0.020  1.090
 NTL  C06  H9   single  0.970  0.020  1.090
 NTL  C08  H10  single  0.970  0.020  1.090
 NTL  C10  H11  single  0.970  0.020  1.090
 NTL  C13  H13  single  0.970  0.020  1.090
 NTL  C13  H14  single  0.970  0.020  1.090
 NTL  C15  H15  single  0.930  0.020  1.080
 NTL  C16  H17  single  0.970  0.020  1.090
 NTL  C16  H18  single  0.970  0.020  1.090
 NTL  C17  H19  single  0.970  0.020  1.090
 NTL  C20  H20  single  0.970  0.020  1.090
 NTL  C20  H21  single  0.970  0.020  1.090
 NTL  C20  H22  single  0.970  0.020  1.090
 NTL  C22  H23  single  0.970  0.020  1.090
 NTL  C24  H24  single  0.970  0.020  1.090
 NTL  C26  H25  single  0.970  0.020  1.090
 NTL  C28  H26  single  0.970  0.020  1.090
 NTL  C28  H27  single  0.970  0.020  1.090
 NTL  C30  H28  single  0.970  0.020  1.090
 NTL  C30  H29  single  0.970  0.020  1.090
 NTL  C30  H30  single  0.970  0.020  1.090
 NTL  C32  H31  single  0.970  0.020  1.090
 NTL  C34  H32  single  0.970  0.020  1.090
 NTL  C34  H33  single  0.970  0.020  1.090
 NTL  C34  H34  single  0.970  0.020  1.090
 NTL  C35  H35  single  0.970  0.020  1.090
 NTL  N03  H36  single  0.890  0.020  1.040
 NTL  N07  H38  single  0.890  0.020  1.040
 NTL  N07  H39  single  0.890  0.020  1.040
 NTL  N14  H41  single  0.890  0.020  1.040
 NTL  N14  H42  single  0.890  0.020  1.040
 NTL  N18  H44  single  0.860  0.020  1.020
 NTL  N33  H45  single  0.890  0.020  1.040
 NTL  O23  H47  single  0.850  0.020  0.980
 NTL  O31  H48  single  0.850  0.020  0.980
 NTL  O36  H49  single  0.850  0.020  0.980

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
 NTL  H3   C01  H2   107.97  3.000
 NTL  H3   C01  H1   107.63  3.000
 NTL  H2   C01  H1   108.02  3.000
 NTL  H3   C01  C02  111.16  3.000
 NTL  H2   C01  C02  111.42  3.000
 NTL  H1   C01  C02  110.50  3.000
 NTL  H5   C02  H4   106.20  3.000
 NTL  H5   C02  N03  112.24  3.000
 NTL  H4   C02  N03  108.99  3.000
 NTL  H5   C02  C01  109.38  3.000
 NTL  H4   C02  C01  109.40  3.000
 NTL  N03  C02  C01  110.49  3.000
 NTL  H6   C04  N03  105.28  3.000
 NTL  H6   C04  C24  106.26  3.000
 NTL  N03  C04  C24  111.28  3.000
 NTL  H6   C04  C05  107.60  3.000
 NTL  C24  C04  C05  111.26  3.000
 NTL  N03  C04  C05  114.57  3.000
 NTL  H8   C05  H7   106.77  3.000
 NTL  H8   C05  C06  109.30  3.000
 NTL  H7   C05  C06  108.86  3.000
 NTL  H8   C05  C04  109.30  3.000
 NTL  H7   C05  C04  110.65  3.000
 NTL  C06  C05  C04  111.82  3.000
 NTL  H9   C06  N07  107.13  3.000
 NTL  H9   C06  C08  107.60  3.000
 NTL  N07  C06  C08  115.21  3.000
 NTL  H9   C06  C05  107.96  3.000
 NTL  C08  C06  C05  108.07  3.000
 NTL  N07  C06  C05  110.62  3.000
 NTL  H10  C08  O09  110.41  3.000
 NTL  H10  C08  C22  109.13  3.000
 NTL  O09  C08  C22  109.48  3.000
 NTL  H10  C08  C06  108.30  3.000
 NTL  O09  C08  C06  108.72  3.000
 NTL  C22  C08  C06  110.79  3.000
 NTL  H11  C10  O11  104.67  3.000
 NTL  H11  C10  O09  111.93  3.000
 NTL  O11  C10  O09  111.94  3.000
 NTL  H11  C10  C17  111.12  3.000
 NTL  O11  C10  C17  110.58  3.000
 NTL  O09  C10  C17  106.68  3.000
 NTL  O11  C12  C15  123.08  3.000
 NTL  C15  C12  C13  125.34  3.000
 NTL  O11  C12  C13  111.52  3.000
 NTL  H14  C13  H13  106.35  3.000
 NTL  H14  C13  N14  108.86  3.000
 NTL  H13  C13  N14  112.75  3.000
 NTL  H14  C13  C12  108.12  3.000
 NTL  H13  C13  C12  108.46  3.000
 NTL  N14  C13  C12  112.05  3.000
 NTL  H15  C15  C16  118.95  3.000
 NTL  H15  C15  C12  118.48  3.000
 NTL  C16  C15  C12  122.56  3.000
 NTL  H18  C16  H17  106.01  3.000
 NTL  H18  C16  C17  110.54  3.000
 NTL  H17  C16  C17  109.08  3.000
 NTL  H18  C16  C15  110.64  3.000
 NTL  H17  C16  C15  110.37  3.000
 NTL  C17  C16  C15  110.13  3.000
 NTL  H19  C17  N18  107.42  3.000
 NTL  H19  C17  C16  109.36  3.000
 NTL  N18  C17  C16  112.29  3.000
 NTL  H19  C17  C10  107.50  3.000
 NTL  C16  C17  C10  109.44  3.000
 NTL  N18  C17  C10  110.69  3.000
 NTL  H22  C20  H21  108.41  3.000
 NTL  H22  C20  H20  107.23  3.000
 NTL  H21  C20  H20  108.53  3.000
 NTL  H22  C20  C19  109.26  3.000
 NTL  H21  C20  C19  113.83  3.000
 NTL  H20  C20  C19  109.37  3.000
 NTL  H23  C22  O23  110.44  3.000
 NTL  H23  C22  C24  108.00  3.000
 NTL  O23  C22  C24  108.15  3.000
 NTL  H23  C22  C08  108.05  3.000
 NTL  O23  C22  C08  111.75  3.000
 NTL  C24  C22  C08  110.39  3.000
 NTL  H24  C24  O25  110.60  3.000
 NTL  H24  C24  C22  107.94  3.000
 NTL  O25  C24  C22  108.03  3.000
 NTL  H24  C24  C04  109.88  3.000
 NTL  C22  C24  C04  110.40  3.000
 NTL  O25  C24  C04  109.96  3.000
 NTL  H25  C26  O27  104.39  3.000
 NTL  H25  C26  O25  109.72  3.000
 NTL  O27  C26  O25  111.66  3.000
 NTL  H25  C26  C35  107.53  3.000
 NTL  O27  C26  C35  111.93  3.000
 NTL  O25  C26  C35  111.28  3.000
 NTL  H27  C28  H26  106.63  3.000
 NTL  H27  C28  O27  106.12  3.000
 NTL  H26  C28  O27  111.59  3.000
 NTL  H27  C28  C29  109.72  3.000
 NTL  H26  C28  C29  110.61  3.000
 NTL  O27  C28  C29  111.92  3.000
 NTL  O31  C29  C32  104.42  3.000
 NTL  O31  C29  C30  109.92  3.000
 NTL  C32  C29  C30  112.15  3.000
 NTL  O31  C29  C28  109.44  3.000
 NTL  C30  C29  C28  109.78  3.000
 NTL  C32  C29  C28  111.00  3.000
 NTL  H30  C30  H29  108.13  3.000
 NTL  H30  C30  H28  107.77  3.000
 NTL  H29  C30  H28  107.18  3.000
 NTL  H30  C30  C29  110.92  3.000
 NTL  H29  C30  C29  112.54  3.000
 NTL  H28  C30  C29  110.11  3.000
 NTL  H31  C32  N33  103.39  3.000
 NTL  H31  C32  C35  105.36  3.000
 NTL  N33  C32  C35  115.33  3.000
 NTL  H31  C32  C29  104.43  3.000
 NTL  C35  C32  C29  109.29  3.000
 NTL  N33  C32  C29  117.50  3.000
 NTL  H35  C35  O36  110.32  3.000
 NTL  H35  C35  C32  104.37  3.000
 NTL  O36  C35  C32  110.68  3.000
 NTL  H35  C35  C26  102.73  3.000
 NTL  C32  C35  C26  116.09  3.000
 NTL  O36  C35  C26  111.98  3.000
 NTL  H36  N03  C04  108.00  3.000
 NTL  H36  N03  C02  108.12  3.000
 NTL  C04  N03  C02  116.95  3.000
 NTL  H39  N07  H38  104.24  3.000
 NTL  H39  N07  C06  110.97  3.000
 NTL  H38  N07  C06  109.15  3.000
 NTL  H42  N14  H41  105.73  3.000
 NTL  H42  N14  C13  109.68  3.000
 NTL  H41  N14  C13  108.79  3.000
 NTL  H44  N18  C19  118.52  3.000
 NTL  H44  N18  C17  117.26  3.000
 NTL  C19  N18  C17  124.21  3.000
 NTL  H45  N33  C34  109.63  3.000
 NTL  H45  N33  C32  108.38  3.000
 NTL  C34  N33  C32  122.23  3.000
 NTL  C10  O09  C08  117.88  3.000
 NTL  C12  O11  C10  117.04  3.000
 NTL  H47  O23  C22  108.69  3.000
 NTL  C26  O25  C24  118.13  3.000
 NTL  C28  O27  C26  114.95  3.000
 NTL  H48  O31  C29  108.57  3.000
 NTL  H49  O36  C35  108.90  3.000
 NTL  O21  C19  N18  123.20  3.000
 NTL  O21  C19  C20  121.65  3.000
 NTL  N18  C19  C20  115.15  3.000
 NTL  H34  C34  H33  107.61  3.000
 NTL  H34  C34  H32  107.45  3.000
 NTL  H33  C34  H32  106.69  3.000
 NTL  H34  C34  N33  110.64  3.000
 NTL  H33  C34  N33  116.05  3.000
 NTL  H32  C34  N33  108.03  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
 NTL  CONST_01  C20  C19  N18  C17   180.00   0.0  0
 NTL  CONST_02  O21  C19  N18  C17     0.00   0.0  0
 NTL  CONST_03  H44  N18  C19  C20     0.00   0.0  0
 NTL  Var_01    C15  C12  O11  C10    15.29  30.0  1
 NTL  Var_02    C17  C16  C15  C12    13.79  30.0  1
 NTL  Var_03    O11  C12  C15  C16     1.81  30.0  1
 NTL  Var_04    C29  C28  O27  C26    62.15  30.0  1
 NTL  Var_05    N14  C13  C12  C15  -129.69  30.0  1
 NTL  Var_06    C04  N03  C02  C01   168.88  30.0  3
 NTL  Var_07    H41  N14  C13  C12   169.61  30.0  3
 NTL  Var_08    H32  C34  N33  C32  -179.47  30.0  3
 NTL  Var_09    H1   C01  C02  N03   178.44  30.0  3
 NTL  Var_10    H20  C20  C19  N18  -122.00  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
 NTL  chir_01  C04  N03  C24  C05  negativ
 NTL  chir_02  C06  N07  C08  C05  positiv
 NTL  chir_03  C08  O09  C22  C06  negativ
 NTL  chir_04  C10  O09  O11  C17  negativ
 NTL  chir_05  C17  N18  C16  C10  positiv
 NTL  chir_06  C22  O23  C24  C08  positiv
 NTL  chir_07  C24  O25  C04  C22  negativ
 NTL  chir_08  C26  O27  O25  C35  positiv
 NTL  chir_09  C29  C32  C30  C28  positiv
 NTL  chir_10  C32  N33  C35  C29  negativ
 NTL  chir_11  C35  O36  C32  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
 NTL  plan-1  C17  0.020
 NTL  plan-1  C20  0.020
 NTL  plan-1  N18  0.020
 NTL  plan-1  O21  0.020
 NTL  plan-1  H44  0.020
 NTL  plan-1  C19  0.020

