# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Aug  8 19:51:20 2021
#   Inital geometry file: a 155 line input string
#   Ligand name: 5'-O-[(R)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)OC(=O)c4cccc(c4)c5noc(n5)c6ccccc6F)[C@@H](O)[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
 M24  M24  5'-O-[(R)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine  ligand  64  43  .  2022-11-17  2022-11-17
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_M24
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
 M24  P     P  P     0   1.486  -30.1418  12.1277   -8.2414
 M24  N1    N  N     0  -0.466  -30.4400   4.2049  -12.7927
 M24  C2    C  CR16  0   0.039  -29.7832   5.1198  -13.5008
 M24  N3    N  N     0  -0.453  -29.8424   6.4363  -13.3959
 M24  C4    C  CR56  0   0.493  -30.6875   6.8152  -12.4417
 M24  C5    C  CR56  0   0.014  -31.4570   5.9848  -11.6423
 M24  C6    C  CR6   0   0.444  -31.2934   4.6042  -11.8435
 M24  N6    N  NH2   0  -0.813  -31.9671   3.6866  -11.1398
 M24  N7    N  N     0  -0.436  -32.2097   6.7169  -10.7626
 M24  C8    C  CR15  0   0.112  -31.9018   7.9517  -11.0224
 M24  N9    N  NR5   0  -0.535  -30.9843   8.0830  -12.0316
 M24  C1'   C  CH1   0   0.174  -30.4341   9.2952  -12.6020
 M24  O1P   O  O     0  -0.666  -28.9452  12.7643   -7.6791
 M24  C2'   C  CH1   0  -0.048  -31.3563   9.9486  -13.6373
 M24  O2'   O  OH1   0  -0.662  -30.5468  10.5427  -14.6141
 M24  C24   C  C     0   0.604  -29.2744   9.6860   -8.6801
 M24  O25   O  O     0  -0.398  -28.2787  10.1096   -9.1915
 M24  C26   C  CR6   0  -0.057  -29.6225   8.2580   -8.5312
 M24  C27   C  CR16  0  -0.251  -30.5975   7.8231   -7.6337
 M24  C28   C  CR16  0  -0.217  -30.8645   6.4702   -7.5154
 M24  C29   C  CR16  0  -0.269  -30.1864   5.5521   -8.3000
 M24  O2P   O  O2    0  -0.600  -30.2261  10.4946   -8.1569
 M24  C3'   C  CH1   0  -0.036  -32.0639  11.0190  -12.7957
 M24  O3'   O  OH1   0  -0.654  -32.5114  12.1180  -13.5336
 M24  C30   C  CR6   0   0.019  -29.2211   5.9829   -9.2065
 M24  C31   C  CR16  0  -0.297  -28.9328   7.3381   -9.3115
 M24  C32   C  CR5   0   0.332  -28.5399   5.0083  -10.0561
 M24  N33   N  N     0  -0.141  -27.6729   5.3407  -10.9663
 M24  O34   O  O     0  -0.334  -27.3145   4.1523  -11.5271
 M24  C35   C  CR5   0   0.619  -27.9992   3.1964  -10.9065
 M24  N36   N  N     0  -0.458  -28.7655   3.6671   -9.9788
 M24  C37   C  CR6   0  -0.268  -27.7861   1.8240  -11.3334
 M24  C38   C  CR16  0  -0.254  -26.6693   1.4812  -12.1029
 M24  C39   C  CR16  0  -0.253  -26.4625   0.1758  -12.5084
 M24  O3P   O  OH1   0  -0.724  -31.5323  12.3644   -7.5121
 M24  C4'   C  CH1   0   0.015  -30.9442  11.4345  -11.8462
 M24  O4'   O  O2    0  -0.494  -30.2425  10.2311  -11.5746
 M24  C40   C  CR16  0  -0.227  -27.3728  -0.8126  -12.1546
 M24  C41   C  CR16  0  -0.398  -28.4903  -0.4972  -11.3976
 M24  C42   C  CR6   0   0.549  -28.6795   0.8101  -10.9982
 M24  F43   F  F     0  -0.290  -29.7666   1.0993  -10.2804
 M24  C5'   C  CH2   0  -0.198  -31.4510  12.0328  -10.5610
 M24  O5'   O  O2    0  -0.579  -30.3322  12.4696   -9.7773
 M24  HN6   H  HNH2  0   0.395  -31.6551   2.7311  -11.1736
 M24  HN6A  H  HNH2  0   0.404  -32.4720   3.9660  -10.3161
 M24  H8    H  HCR5  0   0.288  -32.3112   8.8039  -10.5027
 M24  H1'   H  HCH1  0   0.281  -29.4835   9.0122  -13.0625
 M24  H2'   H  HCH1  0   0.264  -32.0541   9.2229  -14.0727
 M24  HO2'  H  HOH1  0   0.453  -31.0308  11.2946  -14.9781
 M24  H27   H  HCR6  0   0.276  -31.1421   8.5271   -7.0204
 M24  H28   H  HCR6  0   0.274  -31.6122   6.1288   -6.8129
 M24  H29   H  HCR6  0   0.273  -30.4094   4.4972   -8.2135
 M24  H3'   H  HCH1  0   0.249  -32.8821  10.5555  -12.2292
 M24  HO3'  H  HOH1  0   0.472  -33.3833  11.9201  -13.8909
 M24  H31   H  HCR6  0   0.272  -28.1795   7.6809  -10.0086
 M24  H38   H  HCR6  0   0.281  -25.9505   2.2410  -12.3778
 M24  H39   H  HCR6  0   0.275  -25.5899  -0.0713  -13.0966
 M24  HO3P  H  HOH1  0   0.511  -31.6692  13.2718   -7.2050
 M24  H4'   H  HCH1  0   0.260  -30.2846  12.1546  -12.3474
 M24  H40   H  HCR6  0   0.282  -27.2155  -1.8355  -12.4687
 M24  H41   H  HCR6  0   0.292  -29.2109  -1.2540  -11.1176
 M24  H5'   H  HCH2  0   0.274  -32.0692  12.9030  -10.7853
 M24  H5'A  H  HCH2  0   0.244  -32.0713  11.3111  -10.0220
 M24  H2    H  HCR6  0   0.252  -29.1131   4.7296  -14.2592

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
 M24  O5'  P     single    1.585  0.020  1.585
 M24  P    O1P   double    1.467  0.020  1.467
 M24  P    O2P   single    1.637  0.020  1.637
 M24  P    O3P   single    1.588  0.020  1.588
 M24  C2   N1    aromatic  1.330  0.020  1.330
 M24  N1   C6    aromatic  1.337  0.020  1.337
 M24  C2   N3    aromatic  1.322  0.020  1.322
 M24  C2   H2    single    0.930  0.020  1.080
 M24  N3   C4    aromatic  1.330  0.020  1.330
 M24  C4   C5    aromatic  1.386  0.020  1.386
 M24  C4   N9    aromatic  1.365  0.020  1.365
 M24  C6   C5    aromatic  1.405  0.020  1.405
 M24  C5   N7    aromatic  1.370  0.020  1.370
 M24  C6   N6    single    1.338  0.020  1.338
 M24  N6   HN6   single    0.890  0.020  1.040
 M24  N6   HN6A  single    0.890  0.020  1.040
 M24  N7   C8    aromatic  1.299  0.020  1.299
 M24  N9   C8    aromatic  1.370  0.020  1.370
 M24  C8   H8    single    0.930  0.020  1.080
 M24  N9   C1'   single    1.448  0.020  1.448
 M24  C2'  C1'   single    1.533  0.020  1.533
 M24  C1'  O4'   single    1.403  0.020  1.403
 M24  C1'  H1'   single    0.970  0.020  1.090
 M24  O2'  C2'   single    1.401  0.020  1.401
 M24  C2'  C3'   single    1.535  0.020  1.535
 M24  C2'  H2'   single    0.970  0.020  1.090
 M24  O2'  HO2'  single    0.850  0.020  0.980
 M24  O25  C24   double    1.197  0.020  1.197
 M24  C24  C26   single    1.477  0.020  1.477
 M24  C24  O2P   single    1.354  0.020  1.354
 M24  C31  C26   aromatic  1.390  0.020  1.390
 M24  C26  C27   aromatic  1.395  0.020  1.395
 M24  C27  C28   aromatic  1.384  0.020  1.384
 M24  C27  H27   single    0.930  0.020  1.080
 M24  C29  C28   aromatic  1.385  0.020  1.385
 M24  C28  H28   single    0.930  0.020  1.080
 M24  C30  C29   aromatic  1.393  0.020  1.393
 M24  C29  H29   single    0.930  0.020  1.080
 M24  C3'  O3'   single    1.397  0.020  1.397
 M24  C3'  C4'   single    1.526  0.020  1.526
 M24  C3'  H3'   single    0.970  0.020  1.090
 M24  O3'  HO3'  single    0.850  0.020  0.980
 M24  C32  C30   single    1.461  0.020  1.461
 M24  C31  C30   aromatic  1.389  0.020  1.389
 M24  C31  H31   single    0.930  0.020  1.080
 M24  N33  C32   aromatic  1.300  0.020  1.300
 M24  C32  N36   aromatic  1.362  0.020  1.362
 M24  O34  N33   aromatic  1.362  0.020  1.362
 M24  O34  C35   aromatic  1.329  0.020  1.329
 M24  C37  C35   single    1.453  0.020  1.453
 M24  C35  N36   aromatic  1.292  0.020  1.292
 M24  C38  C37   aromatic  1.399  0.020  1.399
 M24  C37  C42   aromatic  1.392  0.020  1.392
 M24  C38  C39   aromatic  1.383  0.020  1.383
 M24  C38  H38   single    0.930  0.020  1.080
 M24  C39  C40   aromatic  1.390  0.020  1.390
 M24  C39  H39   single    0.930  0.020  1.080
 M24  O3P  HO3P  single    0.850  0.020  0.980
 M24  O4'  C4'   single    1.419  0.020  1.419
 M24  C4'  C5'   single    1.505  0.020  1.505
 M24  C4'  H4'   single    0.970  0.020  1.090
 M24  C40  C41   aromatic  1.386  0.020  1.386
 M24  C40  H40   single    0.930  0.020  1.080
 M24  C42  C41   aromatic  1.380  0.020  1.380
 M24  C41  H41   single    0.930  0.020  1.080
 M24  C42  F43   single    1.334  0.020  1.334
 M24  C5'  O5'   single    1.434  0.020  1.434
 M24  C5'  H5'   single    0.970  0.020  1.090
 M24  C5'  H5'A  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
 M24  O5'   P    O3P  107.92  3.000
 M24  O3P   P    O2P   94.59  3.000
 M24  O5'   P    O2P  105.01  3.000
 M24  O3P   P    O1P  118.26  3.000
 M24  O2P   P    O1P  117.06  3.000
 M24  O5'   P    O1P  112.06  3.000
 M24  C6    N1   C2   119.18  3.000
 M24  H2    C2   N3   116.19  3.000
 M24  H2    C2   N1   115.46  3.000
 M24  N3    C2   N1   128.35  3.000
 M24  C4    N3   C2   111.66  3.000
 M24  N9    C4   C5   105.21  3.000
 M24  N9    C4   N3   128.19  3.000
 M24  C5    C4   N3   126.59  3.000
 M24  N7    C5   C6   132.94  3.000
 M24  N7    C5   C4   110.82  3.000
 M24  C6    C5   C4   116.20  3.000
 M24  N6    C6   C5   122.68  3.000
 M24  N6    C6   N1   119.32  3.000
 M24  C5    C6   N1   118.00  3.000
 M24  HN6A  N6   HN6  116.57  3.000
 M24  HN6A  N6   C6   119.53  3.000
 M24  HN6   N6   C6   118.53  3.000
 M24  C8    N7   C5   104.44  3.000
 M24  H8    C8   N9   122.23  3.000
 M24  H8    C8   N7   124.37  3.000
 M24  N9    C8   N7   113.40  3.000
 M24  C1'   N9   C8   128.65  3.000
 M24  C1'   N9   C4   125.20  3.000
 M24  C8    N9   C4   106.13  3.000
 M24  H1'   C1'  O4'  111.24  3.000
 M24  H1'   C1'  C2'  110.42  3.000
 M24  O4'   C1'  C2'  107.01  3.000
 M24  H1'   C1'  N9   106.23  3.000
 M24  O4'   C1'  N9   108.78  3.000
 M24  C2'   C1'  N9   113.22  3.000
 M24  H2'   C2'  C3'  112.70  3.000
 M24  H2'   C2'  O2'  111.81  3.000
 M24  C3'   C2'  O2'  110.67  3.000
 M24  H2'   C2'  C1'  111.65  3.000
 M24  C3'   C2'  C1'  101.79  3.000
 M24  O2'   C2'  C1'  107.70  3.000
 M24  HO2'  O2'  C2'  107.67  3.000
 M24  O2P   C24  C26  111.88  3.000
 M24  O2P   C24  O25  122.58  3.000
 M24  C26   C24  O25  125.53  3.000
 M24  C31   C26  C27  120.13  3.000
 M24  C27   C26  C24  122.07  3.000
 M24  C31   C26  C24  117.80  3.000
 M24  H27   C27  C28  119.40  3.000
 M24  H27   C27  C26  120.95  3.000
 M24  C28   C27  C26  119.65  3.000
 M24  H28   C28  C29  119.82  3.000
 M24  H28   C28  C27  119.84  3.000
 M24  C29   C28  C27  120.34  3.000
 M24  H29   C29  C30  119.78  3.000
 M24  H29   C29  C28  120.02  3.000
 M24  C30   C29  C28  120.20  3.000
 M24  C24   O2P  P    122.65  3.000
 M24  H3'   C3'  C4'  109.92  3.000
 M24  H3'   C3'  O3'  111.46  3.000
 M24  C4'   C3'  O3'  110.45  3.000
 M24  H3'   C3'  C2'  109.40  3.000
 M24  C4'   C3'  C2'  101.12  3.000
 M24  O3'   C3'  C2'  114.00  3.000
 M24  HO3'  O3'  C3'  108.92  3.000
 M24  C32   C30  C31  120.65  3.000
 M24  C31   C30  C29  119.65  3.000
 M24  C32   C30  C29  119.69  3.000
 M24  H31   C31  C30  120.14  3.000
 M24  H31   C31  C26  119.84  3.000
 M24  C30   C31  C26  120.02  3.000
 M24  N36   C32  N33  113.70  3.000
 M24  N36   C32  C30  123.12  3.000
 M24  N33   C32  C30  123.18  3.000
 M24  O34   N33  C32  103.92  3.000
 M24  C35   O34  N33  107.44  3.000
 M24  C37   C35  N36  129.94  3.000
 M24  N36   C35  O34  112.25  3.000
 M24  C37   C35  O34  117.81  3.000
 M24  C35   N36  C32  102.69  3.000
 M24  C42   C37  C38  117.79  3.000
 M24  C42   C37  C35  121.53  3.000
 M24  C38   C37  C35  120.67  3.000
 M24  H38   C38  C39  119.30  3.000
 M24  H38   C38  C37  119.89  3.000
 M24  C39   C38  C37  120.81  3.000
 M24  H39   C39  C40  120.32  3.000
 M24  H39   C39  C38  119.75  3.000
 M24  C40   C39  C38  119.93  3.000
 M24  HO3P  O3P  P    114.17  3.000
 M24  H4'   C4'  C5'  109.35  3.000
 M24  H4'   C4'  O4'  110.27  3.000
 M24  C5'   C4'  O4'  109.88  3.000
 M24  H4'   C4'  C3'  109.60  3.000
 M24  C5'   C4'  C3'  113.11  3.000
 M24  O4'   C4'  C3'  104.54  3.000
 M24  C4'   O4'  C1'  110.97  3.000
 M24  H40   C40  C41  119.41  3.000
 M24  H40   C40  C39  120.23  3.000
 M24  C41   C40  C39  120.35  3.000
 M24  H41   C41  C42  119.76  3.000
 M24  H41   C41  C40  121.27  3.000
 M24  C42   C41  C40  118.96  3.000
 M24  F43   C42  C41  118.21  3.000
 M24  F43   C42  C37  119.63  3.000
 M24  C41   C42  C37  122.15  3.000
 M24  H5'A  C5'  H5'  107.84  3.000
 M24  H5'A  C5'  O5'  111.97  3.000
 M24  H5'   C5'  O5'  108.15  3.000
 M24  H5'A  C5'  C4'  110.45  3.000
 M24  H5'   C5'  C4'  109.41  3.000
 M24  O5'   C5'  C4'  108.96  3.000
 M24  C5'   O5'  P    123.89  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
 M24  CONST_01  C4    N3   C2   N1      0.00   0.0  0
 M24  CONST_02  C4    C5   C6   N1      0.00   0.0  0
 M24  CONST_03  N7    C5   C6   N1    180.00   0.0  0
 M24  CONST_04  C5    C6   N1   C2      0.00   0.0  0
 M24  CONST_05  C5    C4   N3   C2      0.00   0.0  0
 M24  CONST_06  N9    C4   N3   C2    180.00   0.0  0
 M24  CONST_07  C6    N1   C2   N3      0.00   0.0  0
 M24  CONST_08  C6    C5   C4   N3      0.00   0.0  0
 M24  CONST_09  N7    C5   C4   N3    180.00   0.0  0
 M24  CONST_10  C8    N9   C4   N3    180.00   0.0  0
 M24  CONST_11  C8    N7   C5   C4      0.00   0.0  0
 M24  CONST_12  N7    C8   N9   C4      0.00   0.0  0
 M24  CONST_13  C8    N9   C4   C5      0.00   0.0  0
 M24  CONST_14  N9    C8   N7   C5      0.00   0.0  0
 M24  CONST_15  N9    C4   C5   C6    180.00   0.0  0
 M24  CONST_16  C8    N7   C5   C6    180.00   0.0  0
 M24  CONST_17  N9    C4   C5   N7      0.00   0.0  0
 M24  CONST_18  C29   C30  C31  C26     0.00   0.0  0
 M24  CONST_19  C32   C30  C31  C26   180.00   0.0  0
 M24  CONST_20  C29   C28  C27  C26     0.00   0.0  0
 M24  CONST_21  C30   C31  C26  C27     0.00   0.0  0
 M24  CONST_22  C30   C29  C28  C27     0.00   0.0  0
 M24  CONST_23  C31   C26  C27  C28     0.00   0.0  0
 M24  CONST_24  C32   C30  C29  C28   180.00   0.0  0
 M24  CONST_25  C31   C30  C29  C28     0.00   0.0  0
 M24  CONST_26  N33   C32  C30  C29   180.00   0.0  0
 M24  CONST_27  N36   C32  C30  C29     0.00   0.0  0
 M24  CONST_28  O34   N33  C32  C30   180.00   0.0  0
 M24  CONST_29  C35   N36  C32  C30   180.00   0.0  0
 M24  CONST_30  N33   C32  C30  C31     0.00   0.0  0
 M24  CONST_31  N36   C32  C30  C31   180.00   0.0  0
 M24  CONST_32  C35   O34  N33  C32     0.00   0.0  0
 M24  CONST_33  O34   C35  N36  C32     0.00   0.0  0
 M24  CONST_34  C37   C35  N36  C32   180.00   0.0  0
 M24  CONST_35  C35   N36  C32  N33     0.00   0.0  0
 M24  CONST_36  C37   C35  O34  N33   180.00   0.0  0
 M24  CONST_37  N36   C35  O34  N33     0.00   0.0  0
 M24  CONST_38  N36   C32  N33  O34     0.00   0.0  0
 M24  CONST_41  C39   C38  C37  C35   180.00   0.0  0
 M24  CONST_42  C41   C42  C37  C35   180.00   0.0  0
 M24  CONST_45  C40   C39  C38  C37     0.00   0.0  0
 M24  CONST_46  C40   C41  C42  C37     0.00   0.0  0
 M24  CONST_47  C41   C42  C37  C38     0.00   0.0  0
 M24  CONST_48  C41   C40  C39  C38     0.00   0.0  0
 M24  CONST_49  C42   C37  C38  C39     0.00   0.0  0
 M24  CONST_50  C42   C41  C40  C39     0.00   0.0  0
 M24  CONST_51  C1'   N9   C4   N3      0.00   0.0  0
 M24  CONST_52  C1'   N9   C4   C5    180.00   0.0  0
 M24  CONST_53  C1'   N9   C8   N7    180.00   0.0  0
 M24  CONST_54  N6    C6   N1   C2    180.00   0.0  0
 M24  CONST_55  N6    C6   C5   C4    180.00   0.0  0
 M24  CONST_56  N7    C5   C6   N6      0.00   0.0  0
 M24  CONST_57  C30   C31  C26  C24   180.00   0.0  0
 M24  CONST_58  C28   C27  C26  C24   180.00   0.0  0
 M24  CONST_59  F43   C42  C37  C35     0.00   0.0  0
 M24  CONST_60  F43   C42  C37  C38   180.00   0.0  0
 M24  CONST_61  F43   C42  C41  C40   180.00   0.0  0
 M24  CONST_62  H2    C2   N3   C4    180.00   0.0  0
 M24  CONST_63  H8    C8   N9   C4    180.00   0.0  0
 M24  CONST_64  H28   C28  C27  C26   180.00   0.0  0
 M24  CONST_65  H31   C31  C26  C27   180.00   0.0  0
 M24  CONST_66  H29   C29  C28  C27   180.00   0.0  0
 M24  CONST_67  H27   C27  C28  C29   180.00   0.0  0
 M24  CONST_68  H38   C38  C37  C35     0.00   0.0  0
 M24  CONST_69  H39   C39  C38  C37   180.00   0.0  0
 M24  CONST_70  H41   C41  C42  C37   180.00   0.0  0
 M24  CONST_71  H40   C40  C39  C38   180.00   0.0  0
 M24  CONST_73  HN6A  N6   C6   N1    180.00   0.0  0
 M24  Var_01    C31   C26  C24  O25   -16.66  30.0  2
 M24  Var_02    C4'   C5'  O5'  P    -131.47  30.0  1
 M24  Var_03    C26   C24  O2P  P    -177.06  30.0  2
 M24  Var_04    O5'   P    O2P  C24    68.29  30.0  2

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
 M24  chir_02  C1'  N9   C2'  O4'  negativ
 M24  chir_03  C2'  O2'  C3'  C1'  positiv
 M24  chir_04  C3'  O3'  C4'  C2'  positiv
 M24  chir_05  C4'  O4'  C3'  C5'  negativ
 M24  chir_06  P    O1P  O2P  O3P  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
 M24  plan-1  C30   0.020
 M24  plan-1  C32   0.020
 M24  plan-1  N33   0.020
 M24  plan-1  O34   0.020
 M24  plan-1  C35   0.020
 M24  plan-1  N36   0.020
 M24  plan-1  C37   0.020
 M24  plan-2  C24   0.020
 M24  plan-2  C26   0.020
 M24  plan-2  C27   0.020
 M24  plan-2  C28   0.020
 M24  plan-2  C29   0.020
 M24  plan-2  C30   0.020
 M24  plan-2  C31   0.020
 M24  plan-2  C32   0.020
 M24  plan-2  H27   0.020
 M24  plan-2  H28   0.020
 M24  plan-2  H29   0.020
 M24  plan-2  H31   0.020
 M24  plan-3  C35   0.020
 M24  plan-3  C37   0.020
 M24  plan-3  C38   0.020
 M24  plan-3  C39   0.020
 M24  plan-3  C40   0.020
 M24  plan-3  C41   0.020
 M24  plan-3  C42   0.020
 M24  plan-3  F43   0.020
 M24  plan-3  H38   0.020
 M24  plan-3  H39   0.020
 M24  plan-3  H40   0.020
 M24  plan-3  H41   0.020
 M24  plan-4  N1    0.020
 M24  plan-4  C2    0.020
 M24  plan-4  N3    0.020
 M24  plan-4  C4    0.020
 M24  plan-4  C5    0.020
 M24  plan-4  C6    0.020
 M24  plan-4  N6    0.020
 M24  plan-4  N7    0.020
 M24  plan-4  C8    0.020
 M24  plan-4  N9    0.020
 M24  plan-4  C1'   0.020
 M24  plan-4  H8    0.020
 M24  plan-4  H2    0.020
 M24  plan-5  C6    0.020
 M24  plan-5  N6    0.020
 M24  plan-5  HN6   0.020
 M24  plan-5  HN6A  0.020
 M24  plan-6  C24   0.020
 M24  plan-6  O25   0.020
 M24  plan-6  C26   0.020
 M24  plan-6  O2P   0.020

