# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Dec 22 12:14:49 2022
#   Inital geometry file: a 279 line input string
#   Ligand name: (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CO[P](O)(=O)O[P](O)(O)=O
#
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
 ZTP  ZTP  "(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate"  ligand  117  49  .  2023-02-16  2023-02-16
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_ZTP
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
 ZTP  C1    C  CH3   0  -0.729  10.1863  37.6268  -23.8445
 ZTP  O1    O  O2    0  -0.648  10.6882  25.0980   -5.3172
 ZTP  P1    P  P     0   1.453  10.3368  26.4700   -4.6073
 ZTP  C2    C  C     0   0.032  10.4325  36.6161  -22.7642
 ZTP  O2    O  O     0  -0.702   9.1490  26.4875   -3.7375
 ZTP  P2    P  P     0   1.455   9.2460  28.7320   -6.1142
 ZTP  C3    C  CH3   0  -0.689  10.8209  35.2545  -23.2655
 ZTP  O3    O  OH1   0  -0.661  11.7378  26.9036   -3.9979
 ZTP  C4    C  C1    0  -0.199  10.3336  36.8611  -21.4557
 ZTP  O4    O  O2    0  -0.640  10.2902  27.5310   -5.8299
 ZTP  C5    C  CH2   0  -0.483   9.9917  38.1481  -20.7746
 ZTP  O5    O  OH1   0  -0.751   9.7739  29.2671   -7.5153
 ZTP  C6    C  CH2   0  -0.530  11.2210  38.7486  -20.0708
 ZTP  O6    O  OH1   0  -0.642   9.8039  29.8163   -5.0967
 ZTP  C7    C  C     0   0.101  10.8835  39.9282  -19.2019
 ZTP  O7    O  O     0  -0.701   7.8208  28.3812   -6.0358
 ZTP  C8    C  CH3   0  -0.705  10.3510  41.1297  -19.9304
 ZTP  C9    C  C1    0  -0.215  11.0260  39.9495  -17.8735
 ZTP  C10   C  CH2   0  -0.488  11.5588  38.8714  -16.9827
 ZTP  C11   C  CH2   0  -0.489  10.4874  38.1890  -16.1139
 ZTP  C12   C  C     0   0.140   9.4174  37.4759  -16.9058
 ZTP  C13   C  CH3   0  -0.727   8.0985  38.1828  -17.0081
 ZTP  C14   C  C1    0  -0.257   9.6108  36.2887  -17.4851
 ZTP  C15   C  CH2   0  -0.463  10.8706  35.4861  -17.4833
 ZTP  C16   C  CH2   0  -0.515  10.7144  34.1167  -16.8085
 ZTP  C17   C  C     0   0.075  10.3214  34.2102  -15.3530
 ZTP  C18   C  CH3   0  -0.710   8.8698  33.9799  -15.0538
 ZTP  C19   C  C1    0  -0.235  11.1870  34.5065  -14.3781
 ZTP  C20   C  CH2   0  -0.483  12.6524  34.7880  -14.5146
 ZTP  C21   C  CH2   0  -0.512  13.5414  33.7278  -13.8381
 ZTP  C22   C  C     0   0.032  13.5745  32.4112  -14.5674
 ZTP  C23   C  CH3   0  -0.691  14.4239  32.3921  -15.8065
 ZTP  C24   C  C1    0  -0.243  12.9390  31.3084  -14.1621
 ZTP  C25   C  CH2   0  -0.463  12.0516  31.1443  -12.9697
 ZTP  C26   C  CH2   0  -0.492  10.6952  30.5241  -13.3366
 ZTP  C27   C  C     0   0.108   9.8069  30.4010  -12.1308
 ZTP  C28   C  CH3   0  -0.724   8.9891  31.6204  -11.8142
 ZTP  C29   C  C1    0  -0.254   9.7722  29.3239  -11.3447
 ZTP  C30   C  CH2   0  -0.454  10.5577  28.0580  -11.4883
 ZTP  C31   C  CH2   0  -0.503  11.7938  28.0497  -10.5714
 ZTP  C32   C  C     0   0.046  12.4884  26.7128  -10.5641
 ZTP  C33   C  CH3   0  -0.679  13.5494  26.5256  -11.6081
 ZTP  C34   C  C1    0  -0.209  12.1608  25.7417   -9.7079
 ZTP  C35   C  CH2   0  -0.462  11.1015  25.8289   -8.6557
 ZTP  C36   C  CH2   0  -0.486  10.0540  24.7049   -8.7585
 ZTP  C37   C  C     0  -0.004   8.8162  25.0593   -7.9758
 ZTP  C38   C  CH3   0  -0.703   7.7769  25.8037   -8.7542
 ZTP  C39   C  C1    0  -0.167   8.6543  24.8247   -6.6680
 ZTP  C40   C  CH2   0  -0.329   9.6628  24.1754   -5.7796
 ZTP  H1    H  HCH3  0   0.184   9.3921  37.2866  -24.5141
 ZTP  H1A   H  HCH3  0   0.249   9.9068  38.6088  -23.4679
 ZTP  H1B   H  HCH3  0   0.220  11.0784  37.7494  -24.4644
 ZTP  H3    H  HCH3  0   0.211  10.9962  34.5515  -22.4513
 ZTP  H3A   H  HCH3  0   0.233  10.0441  34.8373  -23.9116
 ZTP  H3B   H  HCH3  0   0.283  11.7307  35.3048  -23.8702
 ZTP  HO3   H  HOH1  0   0.514  11.9611  26.4759   -3.1584
 ZTP  H4    H  H     0   0.178  10.5591  36.0409  -20.7766
 ZTP  H5    H  HCH2  0   0.268   9.5686  38.8722  -21.4725
 ZTP  H5A   H  HCH2  0   0.248   9.2259  37.9570  -20.0168
 ZTP  HO5   H  HOH1  0   0.496   9.3173  28.8971   -8.2824
 ZTP  H6    H  HCH2  0   0.242  11.7045  37.9607  -19.4889
 ZTP  H6A   H  HCH2  0   0.247  11.9399  39.0539  -20.8388
 ZTP  HO6   H  HOH1  0   0.499   9.1931  30.5440   -4.9112
 ZTP  H8    H  HCH3  0   0.270  10.1969  41.9760  -19.2612
 ZTP  H8A   H  HCH3  0   0.196  11.0380  41.4441  -20.7205
 ZTP  H8B   H  HCH3  0   0.236   9.3972  40.9161  -20.4191
 ZTP  H9    H  H     0   0.223  10.7278  40.8588  -17.3548
 ZTP  H10   H  HCH2  0   0.209  12.0866  38.1088  -17.5577
 ZTP  H10A  H  HCH2  0   0.219  12.3012  39.3115  -16.3094
 ZTP  H11   H  HCH2  0   0.254  10.9936  37.4888  -15.4436
 ZTP  H11A  H  HCH2  0   0.185  10.0207  38.9374  -15.4676
 ZTP  H13   H  HCH3  0   0.247   7.3833  37.6338  -17.6210
 ZTP  H13A  H  HCH3  0   0.238   7.6555  38.3262  -16.0190
 ZTP  H13B  H  HCH3  0   0.179   8.2204  39.1799  -17.4397
 ZTP  H14   H  H     0   0.191   8.7794  35.8422  -18.0280
 ZTP  H15   H  HCH2  0   0.282  11.1957  35.3243  -18.5178
 ZTP  H15A  H  HCH2  0   0.208  11.6774  36.0300  -16.9935
 ZTP  H16   H  HCH2  0   0.208   9.9621  33.5377  -17.3504
 ZTP  H16A  H  HCH2  0   0.267  11.6517  33.5664  -16.9154
 ZTP  H18   H  HCH3  0   0.244   8.6461  34.1056  -13.9942
 ZTP  H18A  H  HCH3  0   0.245   8.2396  34.6721  -15.6191
 ZTP  H18B  H  HCH3  0   0.232   8.5624  32.9721  -15.3462
 ZTP  H19   H  H     0   0.171  10.8030  34.5636  -13.3610
 ZTP  H20   H  HCH2  0   0.279  12.9449  34.9053  -15.5577
 ZTP  H20A  H  HCH2  0   0.216  12.8666  35.7501  -14.0390
 ZTP  H21   H  HCH2  0   0.237  14.5618  34.1211  -13.7857
 ZTP  H21A  H  HCH2  0   0.284  13.2137  33.6028  -12.8053
 ZTP  H23   H  HCH3  0   0.258  14.3932  31.4249  -16.3071
 ZTP  H23A  H  HCH3  0   0.164  14.1037  33.1487  -16.5275
 ZTP  H23B  H  HCH3  0   0.241  15.4668  32.6166  -15.5681
 ZTP  H24   H  H     0   0.246  13.0707  30.4045  -14.7549
 ZTP  H25   H  HCH2  0   0.224  12.5379  30.4832  -12.2437
 ZTP  H25A  H  HCH2  0   0.250  11.8926  32.0960  -12.4608
 ZTP  H26   H  HCH2  0   0.178  10.2092  31.1533  -14.0869
 ZTP  H26A  H  HCH2  0   0.270  10.8661  29.5531  -13.8077
 ZTP  H28   H  HCH3  0   0.218   8.4469  31.5200  -10.8741
 ZTP  H28A  H  HCH3  0   0.238   9.6166  32.5138  -11.7486
 ZTP  H28B  H  HCH3  0   0.216   8.2615  31.8160  -12.6061
 ZTP  H29   H  H     0   0.229   9.1463  29.3718  -10.4563
 ZTP  H30   H  HCH2  0   0.235   9.9207  27.2117  -11.2137
 ZTP  H30A  H  HCH2  0   0.239  10.8734  27.8874  -12.5205
 ZTP  H31   H  HCH2  0   0.232  12.4856  28.8275  -10.9071
 ZTP  H31A  H  HCH2  0   0.251  11.4885  28.3364   -9.5628
 ZTP  H33   H  HCH3  0   0.194  13.9640  25.5178  -11.5982
 ZTP  H33A  H  HCH3  0   0.244  13.1514  26.7166  -12.6085
 ZTP  H33B  H  HCH3  0   0.247  14.3706  27.2323  -11.4634
 ZTP  H34   H  H     0   0.150  12.6904  24.7931   -9.7711
 ZTP  H35   H  HCH2  0   0.277  11.5524  25.7782   -7.6632
 ZTP  H35A  H  HCH2  0   0.216  10.5922  26.7921   -8.7089
 ZTP  H36   H  HCH2  0   0.277   9.7805  24.5591   -9.8067
 ZTP  H36A  H  HCH2  0   0.209  10.4979  23.7664   -8.4207
 ZTP  H38   H  HCH3  0   0.240   6.9396  26.1182   -8.1336
 ZTP  H38A  H  HCH3  0   0.249   8.2099  26.6955   -9.2173
 ZTP  H38B  H  HCH3  0   0.247   7.3921  25.1864   -9.5693
 ZTP  H39   H  H     0   0.247   7.7486  25.1788   -6.1866
 ZTP  H40   H  HCH2  0   0.252  10.2260  23.4008   -6.2952
 ZTP  H40A  H  HCH2  0   0.265   9.1860  23.7218   -4.9102

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
 ZTP  C2   C1    single  1.500  0.020  1.500
 ZTP  C1   H1    single  0.970  0.020  1.090
 ZTP  C1   H1A   single  0.970  0.020  1.090
 ZTP  C1   H1B   single  0.970  0.020  1.090
 ZTP  C40  O1    single  1.455  0.020  1.455
 ZTP  O1   P1    single  1.584  0.020  1.584
 ZTP  O2   P1    double  1.472  0.020  1.472
 ZTP  P1   O3    single  1.588  0.020  1.588
 ZTP  P1   O4    single  1.619  0.020  1.619
 ZTP  C4   C2    double  1.335  0.020  1.335
 ZTP  C3   C2    single  1.502  0.020  1.502
 ZTP  O7   P2    double  1.470  0.020  1.470
 ZTP  O4   P2    single  1.617  0.020  1.617
 ZTP  P2   O5    single  1.590  0.020  1.590
 ZTP  P2   O6    single  1.588  0.020  1.588
 ZTP  C3   H3    single  0.970  0.020  1.090
 ZTP  C3   H3A   single  0.970  0.020  1.090
 ZTP  C3   H3B   single  0.970  0.020  1.090
 ZTP  O3   HO3   single  0.850  0.020  0.980
 ZTP  C4   C5    single  1.496  0.020  1.496
 ZTP  C4   H4    single  0.930  0.020  1.080
 ZTP  C5   C6    single  1.538  0.020  1.538
 ZTP  C5   H5    single  0.970  0.020  1.090
 ZTP  C5   H5A   single  0.970  0.020  1.090
 ZTP  O5   HO5   single  0.850  0.020  0.980
 ZTP  C7   C6    single  1.503  0.020  1.503
 ZTP  C6   H6    single  0.970  0.020  1.090
 ZTP  C6   H6A   single  0.970  0.020  1.090
 ZTP  O6   HO6   single  0.850  0.020  0.980
 ZTP  C8   C7    single  1.503  0.020  1.503
 ZTP  C7   C9    double  1.336  0.020  1.336
 ZTP  C8   H8    single  0.970  0.020  1.090
 ZTP  C8   H8A   single  0.970  0.020  1.090
 ZTP  C8   H8B   single  0.970  0.020  1.090
 ZTP  C9   C10   single  1.497  0.020  1.497
 ZTP  C9   H9    single  0.930  0.020  1.080
 ZTP  C11  C10   single  1.539  0.020  1.539
 ZTP  C10  H10   single  0.970  0.020  1.090
 ZTP  C10  H10A  single  0.970  0.020  1.090
 ZTP  C12  C11   single  1.510  0.020  1.510
 ZTP  C11  H11   single  0.970  0.020  1.090
 ZTP  C11  H11A  single  0.970  0.020  1.090
 ZTP  C13  C12   single  1.500  0.020  1.500
 ZTP  C12  C14   double  1.335  0.020  1.335
 ZTP  C13  H13   single  0.970  0.020  1.090
 ZTP  C13  H13A  single  0.970  0.020  1.090
 ZTP  C13  H13B  single  0.970  0.020  1.090
 ZTP  C14  C15   single  1.494  0.020  1.494
 ZTP  C14  H14   single  0.930  0.020  1.080
 ZTP  C15  C16   single  1.535  0.020  1.535
 ZTP  C15  H15   single  0.970  0.020  1.090
 ZTP  C15  H15A  single  0.970  0.020  1.090
 ZTP  C16  C17   single  1.511  0.020  1.511
 ZTP  C16  H16   single  0.970  0.020  1.090
 ZTP  C16  H16A  single  0.970  0.020  1.090
 ZTP  C18  C17   single  1.500  0.020  1.500
 ZTP  C17  C19   double  1.337  0.020  1.337
 ZTP  C18  H18   single  0.970  0.020  1.090
 ZTP  C18  H18A  single  0.970  0.020  1.090
 ZTP  C18  H18B  single  0.970  0.020  1.090
 ZTP  C19  C20   single  1.499  0.020  1.499
 ZTP  C19  H19   single  0.930  0.020  1.080
 ZTP  C20  C21   single  1.540  0.020  1.540
 ZTP  C20  H20   single  0.970  0.020  1.090
 ZTP  C20  H20A  single  0.970  0.020  1.090
 ZTP  C22  C21   single  1.506  0.020  1.506
 ZTP  C21  H21   single  0.970  0.020  1.090
 ZTP  C21  H21A  single  0.970  0.020  1.090
 ZTP  C23  C22   single  1.502  0.020  1.502
 ZTP  C22  C24   double  1.336  0.020  1.336
 ZTP  C23  H23   single  0.970  0.020  1.090
 ZTP  C23  H23A  single  0.970  0.020  1.090
 ZTP  C23  H23B  single  0.970  0.020  1.090
 ZTP  C24  C25   single  1.495  0.020  1.495
 ZTP  C24  H24   single  0.930  0.020  1.080
 ZTP  C25  C26   single  1.536  0.020  1.536
 ZTP  C25  H25   single  0.970  0.020  1.090
 ZTP  C25  H25A  single  0.970  0.020  1.090
 ZTP  C26  C27   single  1.503  0.020  1.503
 ZTP  C26  H26   single  0.970  0.020  1.090
 ZTP  C26  H26A  single  0.970  0.020  1.090
 ZTP  C27  C29   double  1.334  0.020  1.334
 ZTP  C27  C28   single  1.502  0.020  1.502
 ZTP  C28  H28   single  0.970  0.020  1.090
 ZTP  C28  H28A  single  0.970  0.020  1.090
 ZTP  C28  H28B  single  0.970  0.020  1.090
 ZTP  C30  C29   single  1.497  0.020  1.497
 ZTP  C29  H29   single  0.930  0.020  1.080
 ZTP  C30  C31   single  1.539  0.020  1.539
 ZTP  C30  H30   single  0.970  0.020  1.090
 ZTP  C30  H30A  single  0.970  0.020  1.090
 ZTP  C32  C31   single  1.507  0.020  1.507
 ZTP  C31  H31   single  0.970  0.020  1.090
 ZTP  C31  H31A  single  0.970  0.020  1.090
 ZTP  C33  C32   single  1.500  0.020  1.500
 ZTP  C32  C34   double  1.335  0.020  1.335
 ZTP  C33  H33   single  0.970  0.020  1.090
 ZTP  C33  H33A  single  0.970  0.020  1.090
 ZTP  C33  H33B  single  0.970  0.020  1.090
 ZTP  C34  C35   single  1.496  0.020  1.496
 ZTP  C34  H34   single  0.930  0.020  1.080
 ZTP  C35  C36   single  1.540  0.020  1.540
 ZTP  C35  H35   single  0.970  0.020  1.090
 ZTP  C35  H35A  single  0.970  0.020  1.090
 ZTP  C36  C37   single  1.507  0.020  1.507
 ZTP  C36  H36   single  0.970  0.020  1.090
 ZTP  C36  H36A  single  0.970  0.020  1.090
 ZTP  C37  C38   single  1.497  0.020  1.497
 ZTP  C37  C39   double  1.338  0.020  1.338
 ZTP  C38  H38   single  0.970  0.020  1.090
 ZTP  C38  H38A  single  0.970  0.020  1.090
 ZTP  C38  H38B  single  0.970  0.020  1.090
 ZTP  C40  C39   single  1.493  0.020  1.493
 ZTP  C39  H39   single  0.930  0.020  1.080
 ZTP  C40  H40   single  0.970  0.020  1.090
 ZTP  C40  H40A  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
 ZTP  H1B   C1   H1A   107.74  3.000
 ZTP  H1B   C1   H1    106.29  3.000
 ZTP  H1A   C1   H1    107.83  3.000
 ZTP  H1B   C1   C2    110.49  3.000
 ZTP  H1A   C1   C2    113.64  3.000
 ZTP  H1    C1   C2    110.54  3.000
 ZTP  C40   O1   P1    122.37  3.000
 ZTP  O4    P1   O3     97.83  3.000
 ZTP  O4    P1   O2    114.52  3.000
 ZTP  O3    P1   O2    118.80  3.000
 ZTP  O4    P1   O1    103.62  3.000
 ZTP  O3    P1   O1    102.28  3.000
 ZTP  O2    P1   O1    117.00  3.000
 ZTP  C4    C2   C3    120.84  3.000
 ZTP  C3    C2   C1    114.39  3.000
 ZTP  C4    C2   C1    124.77  3.000
 ZTP  O7    P2   O6    117.99  3.000
 ZTP  O6    P2   O5    102.60  3.000
 ZTP  O7    P2   O5    116.69  3.000
 ZTP  O6    P2   O4     99.65  3.000
 ZTP  O5    P2   O4    100.99  3.000
 ZTP  O7    P2   O4    116.08  3.000
 ZTP  H3B   C3   H3A   106.38  3.000
 ZTP  H3B   C3   H3    107.99  3.000
 ZTP  H3A   C3   H3    108.04  3.000
 ZTP  H3B   C3   C2    110.97  3.000
 ZTP  H3A   C3   C2    111.07  3.000
 ZTP  H3    C3   C2    112.14  3.000
 ZTP  HO3   O3   P1    114.56  3.000
 ZTP  H4    C4   C5    114.31  3.000
 ZTP  H4    C4   C2    117.25  3.000
 ZTP  C5    C4   C2    128.40  3.000
 ZTP  P2    O4   P1    129.65  3.000
 ZTP  H5A   C5   H5    106.71  3.000
 ZTP  H5A   C5   C6    108.09  3.000
 ZTP  H5    C5   C6    110.09  3.000
 ZTP  H5A   C5   C4    108.97  3.000
 ZTP  H5    C5   C4    111.61  3.000
 ZTP  C6    C5   C4    111.19  3.000
 ZTP  HO5   O5   P2    114.44  3.000
 ZTP  H6A   C6   H6    106.51  3.000
 ZTP  H6A   C6   C7    109.50  3.000
 ZTP  H6    C6   C7    110.94  3.000
 ZTP  H6A   C6   C5    108.21  3.000
 ZTP  H6    C6   C5    108.41  3.000
 ZTP  C7    C6   C5    113.03  3.000
 ZTP  HO6   O6   P2    114.48  3.000
 ZTP  C9    C7   C8    120.47  3.000
 ZTP  C9    C7   C6    124.27  3.000
 ZTP  C8    C7   C6    115.26  3.000
 ZTP  H8B   C8   H8A   106.35  3.000
 ZTP  H8B   C8   H8    107.63  3.000
 ZTP  H8A   C8   H8    108.02  3.000
 ZTP  H8B   C8   C7    111.70  3.000
 ZTP  H8A   C8   C7    110.96  3.000
 ZTP  H8    C8   C7    111.92  3.000
 ZTP  H9    C9   C10   114.56  3.000
 ZTP  H9    C9   C7    117.24  3.000
 ZTP  C10   C9   C7    128.19  3.000
 ZTP  H10A  C10  H10   106.08  3.000
 ZTP  H10A  C10  C11   107.65  3.000
 ZTP  H10   C10  C11   108.92  3.000
 ZTP  H10A  C10  C9    108.54  3.000
 ZTP  H10   C10  C9    111.22  3.000
 ZTP  C11   C10  C9    114.05  3.000
 ZTP  H11A  C11  H11   105.87  3.000
 ZTP  H11A  C11  C12   109.32  3.000
 ZTP  H11   C11  C12   110.30  3.000
 ZTP  H11A  C11  C10   109.11  3.000
 ZTP  H11   C11  C10   107.92  3.000
 ZTP  C12   C11  C10   114.00  3.000
 ZTP  C14   C12  C13   121.12  3.000
 ZTP  C14   C12  C11   123.01  3.000
 ZTP  C13   C12  C11   115.86  3.000
 ZTP  H13B  C13  H13A  106.42  3.000
 ZTP  H13B  C13  H13   108.09  3.000
 ZTP  H13A  C13  H13   107.99  3.000
 ZTP  H13B  C13  C12   111.02  3.000
 ZTP  H13A  C13  C12   110.88  3.000
 ZTP  H13   C13  C12   112.21  3.000
 ZTP  H14   C14  C15   115.10  3.000
 ZTP  H14   C14  C12   118.07  3.000
 ZTP  C15   C14  C12   126.83  3.000
 ZTP  H15A  C15  H15   106.16  3.000
 ZTP  H15A  C15  C16   108.86  3.000
 ZTP  H15   C15  C16   108.26  3.000
 ZTP  H15A  C15  C14   110.91  3.000
 ZTP  H15   C15  C14   109.16  3.000
 ZTP  C16   C15  C14   113.21  3.000
 ZTP  H16A  C16  H16   105.97  3.000
 ZTP  H16A  C16  C17   110.42  3.000
 ZTP  H16   C16  C17   109.36  3.000
 ZTP  H16A  C16  C15   108.61  3.000
 ZTP  H16   C16  C15   108.95  3.000
 ZTP  C17   C16  C15   113.26  3.000
 ZTP  C19   C17  C18   121.01  3.000
 ZTP  C19   C17  C16   123.22  3.000
 ZTP  C18   C17  C16   115.75  3.000
 ZTP  H18B  C18  H18A  106.45  3.000
 ZTP  H18B  C18  H18   107.97  3.000
 ZTP  H18A  C18  H18   108.13  3.000
 ZTP  H18B  C18  C17   111.12  3.000
 ZTP  H18A  C18  C17   110.94  3.000
 ZTP  H18   C18  C17   112.00  3.000
 ZTP  H19   C19  C20   114.84  3.000
 ZTP  H19   C19  C17   117.68  3.000
 ZTP  C20   C19  C17   127.47  3.000
 ZTP  H20A  C20  H20   105.60  3.000
 ZTP  H20A  C20  C21   107.54  3.000
 ZTP  H20   C20  C21   109.86  3.000
 ZTP  H20A  C20  C19   108.48  3.000
 ZTP  H20   C20  C19   111.71  3.000
 ZTP  C21   C20  C19   113.27  3.000
 ZTP  H21A  C21  H21   106.01  3.000
 ZTP  H21A  C21  C22   111.41  3.000
 ZTP  H21   C21  C22   108.47  3.000
 ZTP  H21A  C21  C20   108.75  3.000
 ZTP  H21   C21  C20   108.16  3.000
 ZTP  C22   C21  C20   113.70  3.000
 ZTP  C24   C22  C23   120.58  3.000
 ZTP  C24   C22  C21   124.37  3.000
 ZTP  C23   C22  C21   115.03  3.000
 ZTP  H23B  C23  H23A  106.33  3.000
 ZTP  H23B  C23  H23   108.02  3.000
 ZTP  H23A  C23  H23   107.65  3.000
 ZTP  H23B  C23  C22   110.91  3.000
 ZTP  H23A  C23  C22   111.69  3.000
 ZTP  H23   C23  C22   111.98  3.000
 ZTP  H24   C24  C25   114.51  3.000
 ZTP  H24   C24  C22   117.55  3.000
 ZTP  C25   C24  C22   127.94  3.000
 ZTP  H25A  C25  H25   106.38  3.000
 ZTP  H25A  C25  C26   109.57  3.000
 ZTP  H25   C25  C26   107.86  3.000
 ZTP  H25A  C25  C24   111.27  3.000
 ZTP  H25   C25  C24   109.34  3.000
 ZTP  C26   C25  C24   112.20  3.000
 ZTP  H26A  C26  H26   106.56  3.000
 ZTP  H26A  C26  C27   111.45  3.000
 ZTP  H26   C26  C27   109.58  3.000
 ZTP  H26A  C26  C25   108.89  3.000
 ZTP  H26   C26  C25   108.92  3.000
 ZTP  C27   C26  C25   111.31  3.000
 ZTP  C29   C27  C28   121.14  3.000
 ZTP  C28   C27  C26   115.12  3.000
 ZTP  C29   C27  C26   123.67  3.000
 ZTP  H28B  C28  H28A  106.21  3.000
 ZTP  H28B  C28  H28   108.07  3.000
 ZTP  H28A  C28  H28   108.00  3.000
 ZTP  H28B  C28  C27   110.79  3.000
 ZTP  H28A  C28  C27   111.31  3.000
 ZTP  H28   C28  C27   112.21  3.000
 ZTP  H29   C29  C30   114.68  3.000
 ZTP  H29   C29  C27   117.44  3.000
 ZTP  C30   C29  C27   127.79  3.000
 ZTP  H30A  C30  H30   106.53  3.000
 ZTP  H30A  C30  C31   109.26  3.000
 ZTP  H30   C30  C31   108.29  3.000
 ZTP  H30A  C30  C29   111.98  3.000
 ZTP  H30   C30  C29   108.94  3.000
 ZTP  C31   C30  C29   111.65  3.000
 ZTP  H31A  C31  H31   105.88  3.000
 ZTP  H31A  C31  C32   110.94  3.000
 ZTP  H31   C31  C32   109.93  3.000
 ZTP  H31A  C31  C30   108.92  3.000
 ZTP  H31   C31  C30   108.74  3.000
 ZTP  C32   C31  C30   112.21  3.000
 ZTP  C34   C32  C33   121.93  3.000
 ZTP  C34   C32  C31   122.36  3.000
 ZTP  C33   C32  C31   115.69  3.000
 ZTP  H33B  C33  H33A  106.36  3.000
 ZTP  H33B  C33  H33   108.11  3.000
 ZTP  H33A  C33  H33   107.96  3.000
 ZTP  H33B  C33  C32   111.01  3.000
 ZTP  H33A  C33  C32   110.94  3.000
 ZTP  H33   C33  C32   112.22  3.000
 ZTP  H34   C34  C35   115.87  3.000
 ZTP  H34   C34  C32   118.51  3.000
 ZTP  C35   C34  C32   125.62  3.000
 ZTP  H35A  C35  H35   106.16  3.000
 ZTP  H35A  C35  C36   108.89  3.000
 ZTP  H35   C35  C36   107.93  3.000
 ZTP  H35A  C35  C34   110.36  3.000
 ZTP  H35   C35  C34   110.14  3.000
 ZTP  C36   C35  C34   113.10  3.000
 ZTP  H36A  C36  H36   106.48  3.000
 ZTP  H36A  C36  C37   112.05  3.000
 ZTP  H36   C36  C37   108.91  3.000
 ZTP  H36A  C36  C35   109.28  3.000
 ZTP  H36   C36  C35   109.37  3.000
 ZTP  C37   C36  C35   110.64  3.000
 ZTP  C39   C37  C38   120.75  3.000
 ZTP  C39   C37  C36   124.45  3.000
 ZTP  C38   C37  C36   114.66  3.000
 ZTP  H38B  C38  H38A  106.50  3.000
 ZTP  H38B  C38  H38   108.52  3.000
 ZTP  H38A  C38  H38   108.07  3.000
 ZTP  H38B  C38  C37   110.59  3.000
 ZTP  H38A  C38  C37   110.53  3.000
 ZTP  H38   C38  C37   112.41  3.000
 ZTP  H39   C39  C40   116.22  3.000
 ZTP  H39   C39  C37   118.51  3.000
 ZTP  C40   C39  C37   125.18  3.000
 ZTP  H40A  C40  H40   107.95  3.000
 ZTP  H40A  C40  C39   111.10  3.000
 ZTP  H40   C40  C39   112.17  3.000
 ZTP  H40A  C40  O1    108.58  3.000
 ZTP  H40   C40  O1    103.73  3.000
 ZTP  C39   C40  O1    112.93  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
 ZTP  Var_01   C5    C4   C2   C1     -1.09   0.0  2
 ZTP  Var_02   C5    C4   C2   C3    178.58   0.0  2
 ZTP  Var_03   C10   C9   C7   C6      1.53   0.0  2
 ZTP  Var_04   C10   C9   C7   C8   -178.72   0.0  2
 ZTP  Var_05   C15   C14  C12  C11    -1.15   0.0  2
 ZTP  Var_06   C15   C14  C12  C13   178.96   0.0  2
 ZTP  Var_07   C20   C19  C17  C16    -0.25   0.0  2
 ZTP  Var_08   C20   C19  C17  C18  -178.77   0.0  2
 ZTP  Var_09   C25   C24  C22  C21     2.12   0.0  2
 ZTP  Var_10   C25   C24  C22  C23  -179.57   0.0  2
 ZTP  Var_11   C30   C29  C27  C26    -0.69   0.0  2
 ZTP  Var_12   C30   C29  C27  C28  -177.50   0.0  2
 ZTP  Var_13   C35   C34  C32  C31    -0.49   0.0  2
 ZTP  Var_14   C35   C34  C32  C33  -178.73   0.0  2
 ZTP  Var_15   C40   C39  C37  C36    -0.20   0.0  2
 ZTP  Var_16   C40   C39  C37  C38  -175.72   0.0  2
 ZTP  Var_17   C37   C39  C40  O1     81.58  30.0  3
 ZTP  Var_18   P2    O4   P1   O1    138.17  30.0  3
 ZTP  Var_19   C39   C40  O1   P1     52.98  30.0  1
 ZTP  Var_20   O7    P2   O4   P1    -49.49  30.0  3
 ZTP  Var_21   O5    P2   O4   P1   -176.69  30.0  3
 ZTP  Var_22   O6    P2   O4   P1     78.34  30.0  3
 ZTP  Var_23   C6    C5   C4   C2   -108.86  30.0  3
 ZTP  Var_24   C40   O1   P1   O2     35.02  30.0  2
 ZTP  Var_25   P2    O4   P1   O2      9.57  30.0  3
 ZTP  Var_26   O3    P1   O4   P2   -117.11  30.0  1
 ZTP  Var_27   C40   O1   P1   O3    166.65  30.0  2
 ZTP  Var_28   C7    C6   C5   C4   -171.29  30.0  3
 ZTP  Var_29   C40   O1   P1   O4    -92.04  30.0  2
 ZTP  Var_30   C8    C7   C6   C5    -64.39  30.0  1
 ZTP  Var_31   C9    C7   C6   C5    115.37  30.0  1
 ZTP  Var_32   C11   C10  C9   C7   -108.52  30.0  3
 ZTP  Var_33   C12   C11  C10  C9     62.13  30.0  1
 ZTP  Var_34   C13   C12  C11  C10  -103.17  30.0  2
 ZTP  Var_35   C14   C12  C11  C10    76.94  30.0  2
 ZTP  Var_36   C16   C15  C14  C12   118.56  30.0  3
 ZTP  Var_37   C17   C16  C15  C14   -61.17  30.0  3
 ZTP  Var_38   C18   C17  C16  C15   100.56  30.0  3
 ZTP  Var_39   C19   C17  C16  C15   -78.03  30.0  3
 ZTP  Var_40   C21   C20  C19  C17  -114.39  30.0  3
 ZTP  Var_41   C22   C21  C20  C19    72.17  30.0  3
 ZTP  Var_42   C23   C22  C21  C20    76.25  30.0  2
 ZTP  Var_43   C24   C22  C21  C20  -105.36  30.0  2
 ZTP  Var_44   C26   C25  C24  C22   127.91  30.0  3
 ZTP  Var_45   C27   C26  C25  C24  -178.54  30.0  3
 ZTP  Var_46   C29   C27  C26  C25   -90.50  30.0  3
 ZTP  Var_47   C28   C27  C26  C25    86.49  30.0  3
 ZTP  Var_48   C31   C30  C29  C27    98.50  30.0  1
 ZTP  Var_49   C32   C31  C30  C29   172.21  30.0  3
 ZTP  Var_50   C33   C32  C31  C30    89.33  30.0  2
 ZTP  Var_51   C34   C32  C31  C30   -89.02  30.0  2
 ZTP  Var_52   C36   C35  C34  C32   124.76  30.0  3
 ZTP  Var_53   C37   C36  C35  C34  -162.90  30.0  3
 ZTP  Var_54   C38   C37  C36  C35    89.80  30.0  3
 ZTP  Var_55   C39   C37  C36  C35   -85.96  30.0  3
 ZTP  Var_56   H4    C4   C2   C1   -178.81   0.0  2
 ZTP  Var_57   H4    C4   C2   C3      0.85   0.0  2
 ZTP  Var_58   H9    C9   C7   C6   -178.84   0.0  2
 ZTP  Var_59   H9    C9   C7   C8      0.90   0.0  2
 ZTP  Var_60   H14   C14  C12  C11   179.34   0.0  2
 ZTP  Var_61   H14   C14  C12  C13    -0.55   0.0  2
 ZTP  Var_62   H19   C19  C17  C16   179.17   0.0  2
 ZTP  Var_63   H19   C19  C17  C18     0.65   0.0  2
 ZTP  Var_64   H24   C24  C22  C21  -177.66   0.0  2
 ZTP  Var_65   H24   C24  C22  C23     0.65   0.0  2
 ZTP  Var_66   H29   C29  C27  C26   175.54   0.0  2
 ZTP  Var_67   H29   C29  C27  C28    -1.28   0.0  2
 ZTP  Var_68   H34   C34  C32  C31   178.79   0.0  2
 ZTP  Var_69   H34   C34  C32  C33     0.55   0.0  2
 ZTP  Var_70   H39   C39  C37  C36   176.04   0.0  2
 ZTP  Var_71   H39   C39  C37  C38     0.53   0.0  2
 ZTP  Var_72   H3    C3   C2   C1    179.68  30.0  3
 ZTP  Var_73   H3A   C3   C2   C1    -59.32  30.0  3
 ZTP  Var_74   H3B   C3   C2   C1     58.80  30.0  3
 ZTP  Var_75   H39   C39  C40  O1    -94.74  30.0  3
 ZTP  Var_76   H40   C40  O1   P1    174.67  30.0  1
 ZTP  Var_77   H40A  C40  O1   P1    -70.70  30.0  1
 ZTP  Var_78   H5    C5   C4   C2     14.49  30.0  3
 ZTP  Var_79   H5A   C5   C4   C2    132.09  30.0  3
 ZTP  Var_80   H1    C1   C2   C3     58.66  30.0  3
 ZTP  Var_81   H1A   C1   C2   C3   -179.95  30.0  3
 ZTP  Var_82   H1B   C1   C2   C3    -58.71  30.0  3
 ZTP  Var_83   H1    C1   C2   C4   -121.65  30.0  3
 ZTP  Var_84   H1A   C1   C2   C4     -0.26  30.0  3
 ZTP  Var_85   H1B   C1   C2   C4    120.98  30.0  3
 ZTP  Var_86   H3    C3   C2   C4     -0.02  30.0  3
 ZTP  Var_87   H3A   C3   C2   C4    120.98  30.0  3
 ZTP  Var_88   H3B   C3   C2   C4   -120.90  30.0  3
 ZTP  Var_89   H6    C6   C5   C4    -47.87  30.0  3
 ZTP  Var_90   H6A   C6   C5   C4     67.26  30.0  3
 ZTP  Var_91   H4    C4   C5   C6     68.92  30.0  1
 ZTP  Var_92   H8    C8   C7   C6   -175.63  30.0  3
 ZTP  Var_93   H8A   C8   C7   C6    -54.89  30.0  3
 ZTP  Var_94   H8B   C8   C7   C6     63.59  30.0  3
 ZTP  Var_95   H5    C5   C6   C7     64.48  30.0  1
 ZTP  Var_96   H5A   C5   C6   C7    -51.72  30.0  1
 ZTP  Var_97   H10   C10  C9   C7     15.14  30.0  3
 ZTP  Var_98   H10A  C10  C9   C7    131.49  30.0  3
 ZTP  Var_99   H6    C6   C7   C8    173.59  30.0  3
 ZTP  Var_100  H6A   C6   C7   C8     56.32  30.0  3
 ZTP  Var_101  H6    C6   C7   C9     -6.65  30.0  3
 ZTP  Var_102  H6A   C6   C7   C9   -123.92  30.0  3
 ZTP  Var_103  H8    C8   C7   C9      4.60  30.0  3
 ZTP  Var_104  H8A   C8   C7   C9    125.34  30.0  3
 ZTP  Var_105  H8B   C8   C7   C9   -116.17  30.0  3
 ZTP  Var_106  H11   C11  C10  C9   -174.97  30.0  1
 ZTP  Var_107  H11A  C11  C10  C9    -60.38  30.0  1
 ZTP  Var_108  H9    C9   C10  C11    71.85  30.0  3
 ZTP  Var_109  H13   C13  C12  C11   177.93  30.0  3
 ZTP  Var_110  H13A  C13  C12  C11   -61.22  30.0  3
 ZTP  Var_111  H13B  C13  C12  C11    56.86  30.0  3
 ZTP  Var_112  H10   C10  C11  C12   -62.76  30.0  3
 ZTP  Var_113  H10A  C10  C11  C12  -177.37  30.0  3
 ZTP  Var_114  H15   C15  C14  C12  -120.78  30.0  3
 ZTP  Var_115  H15A  C15  C14  C12    -4.15  30.0  3
 ZTP  Var_116  H11   C11  C12  C13   135.25  30.0  3
 ZTP  Var_117  H11A  C11  C12  C13    19.22  30.0  3
 ZTP  Var_118  H11   C11  C12  C14   -44.65  30.0  3
 ZTP  Var_119  H11A  C11  C12  C14  -160.67  30.0  3
 ZTP  Var_120  H13   C13  C12  C14    -2.17  30.0  3
 ZTP  Var_121  H13A  C13  C12  C14   118.67  30.0  3
 ZTP  Var_122  H13B  C13  C12  C14  -123.25  30.0  3
 ZTP  Var_123  H16   C16  C15  C14    60.77  30.0  3
 ZTP  Var_124  H16A  C16  C15  C14   175.77  30.0  3
 ZTP  Var_125  H14   C14  C15  C16   -61.92  30.0  1
 ZTP  Var_126  H18   C18  C17  C16  -177.43  30.0  3
 ZTP  Var_127  H18A  C18  C17  C16   -56.50  30.0  3
 ZTP  Var_128  H18B  C18  C17  C16    61.72  30.0  3
 ZTP  Var_129  H15   C15  C16  C17   177.66  30.0  2
 ZTP  Var_130  H15A  C15  C16  C17    62.67  30.0  2
 ZTP  Var_131  H20   C20  C19  C17    10.30  30.0  3
 ZTP  Var_132  H20A  C20  C19  C17   126.29  30.0  3
 ZTP  Var_133  H16   C16  C17  C18   -21.15  30.0  2
 ZTP  Var_134  H16A  C16  C17  C18  -137.38  30.0  2
 ZTP  Var_135  H16   C16  C17  C19   160.26  30.0  2
 ZTP  Var_136  H16A  C16  C17  C19    44.02  30.0  2
 ZTP  Var_137  H18   C18  C17  C19     1.19  30.0  3
 ZTP  Var_138  H18A  C18  C17  C19   122.12  30.0  3
 ZTP  Var_139  H18B  C18  C17  C19  -119.66  30.0  3
 ZTP  Var_140  H21   C21  C20  C19  -167.29  30.0  3
 ZTP  Var_141  H21A  C21  C20  C19   -52.58  30.0  3
 ZTP  Var_142  H19   C19  C20  C21    66.18  30.0  1
 ZTP  Var_143  H23   C23  C22  C21  -178.63  30.0  3
 ZTP  Var_144  H23A  C23  C22  C21   -57.80  30.0  3
 ZTP  Var_145  H23B  C23  C22  C21    60.62  30.0  3
 ZTP  Var_146  H20   C20  C21  C22   -53.52  30.0  1
 ZTP  Var_147  H20A  C20  C21  C22  -167.97  30.0  1
 ZTP  Var_148  H25   C25  C24  C22  -112.47  30.0  3
 ZTP  Var_149  H25A  C25  C24  C22     4.74  30.0  3
 ZTP  Var_150  H21   C21  C22  C23   -44.12  30.0  3
 ZTP  Var_151  H21A  C21  C22  C23  -160.44  30.0  3
 ZTP  Var_152  H21   C21  C22  C24   134.28  30.0  3
 ZTP  Var_153  H21A  C21  C22  C24    17.95  30.0  3
 ZTP  Var_154  H23   C23  C22  C24     2.91  30.0  3
 ZTP  Var_155  H23A  C23  C22  C24   123.73  30.0  3
 ZTP  Var_156  H23B  C23  C22  C24  -117.85  30.0  3
 ZTP  Var_157  H26   C26  C25  C24   -57.61  30.0  3
 ZTP  Var_158  H26A  C26  C25  C24    58.22  30.0  3
 ZTP  Var_159  H24   C24  C25  C26   -52.30  30.0  1
 ZTP  Var_160  H28   C28  C27  C26  -173.77  30.0  3
 ZTP  Var_161  H28A  C28  C27  C26   -52.61  30.0  3
 ZTP  Var_162  H28B  C28  C27  C26    65.34  30.0  3
 ZTP  Var_163  H25   C25  C26  C27    60.98  30.0  1
 ZTP  Var_164  H25A  C25  C26  C27   -54.42  30.0  1
 ZTP  Var_165  H30   C30  C29  C27  -141.95  30.0  1
 ZTP  Var_166  H30A  C30  C29  C27   -24.38  30.0  1
 ZTP  Var_167  H26   C26  C27  C28   -34.05  30.0  1
 ZTP  Var_168  H26A  C26  C27  C28  -151.74  30.0  1
 ZTP  Var_169  H26   C26  C27  C29   148.97  30.0  1
 ZTP  Var_170  H26A  C26  C27  C29    31.27  30.0  1
 ZTP  Var_171  H28   C28  C27  C29     3.30  30.0  3
 ZTP  Var_172  H28A  C28  C27  C29   124.46  30.0  3
 ZTP  Var_173  H28B  C28  C27  C29  -117.59  30.0  3
 ZTP  Var_174  H31   C31  C30  C29   -65.96  30.0  3
 ZTP  Var_175  H31A  C31  C30  C29    48.98  30.0  3
 ZTP  Var_176  H29   C29  C30  C31   -77.82  30.0  3
 ZTP  Var_177  H33   C33  C32  C31  -175.90  30.0  3
 ZTP  Var_178  H33A  C33  C32  C31   -55.05  30.0  3
 ZTP  Var_179  H33B  C33  C32  C31    62.99  30.0  3
 ZTP  Var_180  H30   C30  C31  C32    52.29  30.0  1
 ZTP  Var_181  H30A  C30  C31  C32   -63.36  30.0  1
 ZTP  Var_182  H35   C35  C34  C32  -114.37  30.0  3
 ZTP  Var_183  H35A  C35  C34  C32     2.52  30.0  3
 ZTP  Var_184  H31   C31  C32  C33   -31.81  30.0  3
 ZTP  Var_185  H31A  C31  C32  C33  -148.58  30.0  3
 ZTP  Var_186  H31   C31  C32  C34   149.84  30.0  3
 ZTP  Var_187  H31A  C31  C32  C34    33.08  30.0  3
 ZTP  Var_188  H33   C33  C32  C34     2.45  30.0  3
 ZTP  Var_189  H33A  C33  C32  C34   123.31  30.0  3
 ZTP  Var_190  H33B  C33  C32  C34  -118.66  30.0  3
 ZTP  Var_191  H36   C36  C35  C34   -42.94  30.0  3
 ZTP  Var_192  H36A  C36  C35  C34    73.27  30.0  3
 ZTP  Var_193  H34   C34  C35  C36   -54.53  30.0  2
 ZTP  Var_194  H38   C38  C37  C36  -174.90  30.0  3
 ZTP  Var_195  H38A  C38  C37  C36   -54.06  30.0  3
 ZTP  Var_196  H38B  C38  C37  C36    63.63  30.0  3
 ZTP  Var_197  H35   C35  C36  C37    74.99  30.0  2
 ZTP  Var_198  H35A  C35  C36  C37   -39.83  30.0  2
 ZTP  Var_199  H40   C40  C39  C37   -35.21  30.0  2
 ZTP  Var_200  H40A  C40  C39  C37  -156.14  30.0  2
 ZTP  Var_201  H36   C36  C37  C38   -30.44  30.0  1
 ZTP  Var_202  H36A  C36  C37  C38  -147.97  30.0  1
 ZTP  Var_203  H36   C36  C37  C39   153.81  30.0  1
 ZTP  Var_204  H36A  C36  C37  C39    36.27  30.0  1
 ZTP  Var_205  H38   C38  C37  C39     1.03  30.0  3
 ZTP  Var_206  H38A  C38  C37  C39   121.87  30.0  3
 ZTP  Var_207  H38B  C38  C37  C39  -120.44  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
 ZTP  chir_01  P1  O2  O3  O4  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
 ZTP  plan-1  C1   0.020
 ZTP  plan-1  C2   0.020
 ZTP  plan-1  C3   0.020
 ZTP  plan-1  C4   0.020
 ZTP  plan-1  C5   0.020
 ZTP  plan-1  H4   0.020
 ZTP  plan-2  C6   0.020
 ZTP  plan-2  C7   0.020
 ZTP  plan-2  C8   0.020
 ZTP  plan-2  C9   0.020
 ZTP  plan-2  C10  0.020
 ZTP  plan-2  H9   0.020
 ZTP  plan-3  C11  0.020
 ZTP  plan-3  C12  0.020
 ZTP  plan-3  C13  0.020
 ZTP  plan-3  C14  0.020
 ZTP  plan-3  C15  0.020
 ZTP  plan-3  H14  0.020
 ZTP  plan-4  C16  0.020
 ZTP  plan-4  C17  0.020
 ZTP  plan-4  C18  0.020
 ZTP  plan-4  C19  0.020
 ZTP  plan-4  C20  0.020
 ZTP  plan-4  H19  0.020
 ZTP  plan-5  C21  0.020
 ZTP  plan-5  C22  0.020
 ZTP  plan-5  C23  0.020
 ZTP  plan-5  C24  0.020
 ZTP  plan-5  C25  0.020
 ZTP  plan-5  H24  0.020
 ZTP  plan-6  C26  0.020
 ZTP  plan-6  C27  0.020
 ZTP  plan-6  C28  0.020
 ZTP  plan-6  C29  0.020
 ZTP  plan-6  C30  0.020
 ZTP  plan-6  H29  0.020
 ZTP  plan-7  C31  0.020
 ZTP  plan-7  C32  0.020
 ZTP  plan-7  C33  0.020
 ZTP  plan-7  C34  0.020
 ZTP  plan-7  C35  0.020
 ZTP  plan-7  H34  0.020
 ZTP  plan-8  C36  0.020
 ZTP  plan-8  C37  0.020
 ZTP  plan-8  C38  0.020
 ZTP  plan-8  C39  0.020
 ZTP  plan-8  C40  0.020
 ZTP  plan-8  H39  0.020

