data_AOH
# 
_chem_comp.id                                    AOH 
_chem_comp.name                                  "8(1)-OH-Chlorophyll aF" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C50 H60 Mg N4 O6" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    -2 
_chem_comp.pdbx_initial_date                     2017-08-11 
_chem_comp.pdbx_modified_date                    2017-09-01 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        837.340 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     AOH 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        5V8K 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
AOH C1   C1  C  0  1 N N N 143.988 75.039 -15.555 -5.313  0.779  -1.511 C1   AOH 1   
AOH C2   C2  C  0  1 N N N 144.208 75.895 -14.337 -6.686  0.435  -0.996 C2   AOH 2   
AOH C3   C3  C  0  1 N N N 143.666 77.094 -14.168 -7.583  -0.069 -1.808 C3   AOH 3   
AOH C4   C4  C  0  1 N N N 142.798 77.705 -15.194 -7.285  -0.189 -3.280 C4   AOH 4   
AOH C5   C5  C  0  1 N N N 144.013 77.857 -12.925 -8.913  -0.530 -1.268 C5   AOH 5   
AOH C6   C6  C  0  1 N N N 145.161 78.828 -13.175 -9.941  0.594  -1.418 C6   AOH 6   
AOH C7   C7  C  0  1 N N N 145.184 79.719 -11.954 -11.270 0.134  -0.879 C7   AOH 7   
AOH C8   C8  C  0  1 N N N 146.057 80.711 -11.820 -11.840 0.787  0.103  C8   AOH 8   
AOH C9   C9  C  0  1 N N N 147.094 80.910 -12.885 -11.109 1.916  0.781  C9   AOH 9   
AOH C10  C10 C  0  1 N N N 146.072 81.513 -10.543 -13.228 0.408  0.554  C10  AOH 10  
AOH C11  C11 C  0  1 N N N 145.114 82.663 -10.342 -13.133 -0.558 1.737  C11  AOH 11  
AOH C15  C12 C  0  1 N N N 143.998 85.195 -9.309  -13.873 -3.272 1.892  C15  AOH 12  
AOH C14  C13 C  0  1 N N N 145.502 85.001 -7.213  -16.251 -2.577 2.712  C14  AOH 13  
AOH C13  C14 C  0  1 N N N 145.044 84.450 -8.541  -14.864 -2.199 2.260  C13  AOH 14  
AOH C12  C15 C  0  1 N N N 145.541 83.296 -9.026  -14.520 -0.937 2.188  C12  AOH 15  
AOH NB   N1  N  -1 1 N N R 139.683 76.030 -8.876  4.925   -2.321 -0.883 NB   AOH 16  
AOH ND   N2  N  -1 1 N N S 138.181 72.263 -9.117  4.770   1.176  -0.900 ND   AOH 17  
AOH C1A  C16 C  0  1 N N N 140.610 72.453 -10.979 1.877   0.439  -0.104 C1A  AOH 18  
AOH C1B  C17 C  0  1 N N N 140.805 76.512 -9.452  3.944   -3.123 -1.268 C1B  AOH 19  
AOH C1C  C18 C  0  1 Y N N 137.180 75.817 -7.205  6.802   -1.574 1.378  C1C  AOH 20  
AOH C1D  C19 C  0  1 N N N 137.107 71.709 -8.537  5.704   2.056  -0.570 C1D  AOH 21  
AOH C2A  C20 C  0  1 N N S 141.629 72.464 -12.083 0.541   -0.030 0.387  C2A  AOH 22  
AOH C2B  C21 C  0  1 N N N 141.086 77.818 -9.058  4.612   -4.304 -1.778 C2B  AOH 23  
AOH C2C  C22 C  0  1 Y N N 135.969 75.844 -6.527  7.464   -1.087 2.488  C2C  AOH 24  
AOH C2D  C23 C  0  1 N N N 136.962 70.390 -8.927  5.304   3.296  -1.127 C2D  AOH 25  
AOH C3A  C24 C  0  1 N N S 142.331 73.762 -11.682 0.650   -1.582 0.362  C3A  AOH 26  
AOH C3B  C25 C  0  1 N N N 140.036 78.151 -8.209  5.936   -4.211 -1.398 C3B  AOH 27  
AOH C3C  C26 C  0  1 Y N N 135.457 74.564 -6.607  7.390   0.308  2.472  C3C  AOH 28  
AOH C3D  C27 C  0  1 N N N 138.011 70.140 -9.806  3.930   3.202  -1.385 C3D  AOH 29  
AOH C4A  C28 C  0  1 N N N 141.422 74.437 -10.687 2.042   -1.848 -0.140 C4A  AOH 30  
AOH C4B  C29 C  0  1 N N N 139.185 77.049 -8.147  6.031   -3.015 -0.570 C4B  AOH 31  
AOH C4C  C30 C  0  1 Y N N 136.417 73.851 -7.344  6.668   0.698  1.356  C4C  AOH 32  
AOH C4D  C31 C  0  1 N N N 138.736 71.322 -9.944  3.647   1.808  -1.133 C4D  AOH 33  
AOH CAA  C32 C  0  1 N N N 140.972 72.439 -13.455 -0.571  0.445  -0.551 CAA  AOH 34  
AOH CAB  C33 C  0  1 N N N 140.050 79.458 -7.574  7.054   -5.153 -1.763 CAB  AOH 35  
AOH CAC  C34 C  0  1 N N S 134.154 74.155 -6.070  7.993   1.233  3.497  CAC  AOH 36  
AOH CAD  C35 C  0  1 N N N 138.573 69.224 -10.837 2.632   3.780  -1.713 CAD  AOH 37  
AOH CBA  C36 C  0  1 N N N 141.982 72.053 -14.537 -1.931  0.062  0.036  CBA  AOH 38  
AOH CBB  C37 C  0  1 N N N 139.381 79.843 -6.528  7.794   -4.615 -2.989 CBB  AOH 39  
AOH CBC  C38 C  0  1 N N N 134.177 72.922 -5.227  9.507   1.306  3.289  CBC  AOH 40  
AOH CBD  C39 C  0  1 N N R 139.768 69.883 -11.446 1.564   2.789  -1.254 CBD  AOH 41  
AOH CED  C40 C  0  1 N N N 142.935 68.405 -9.795  -0.708  5.033  0.782  CED  AOH 42  
AOH CGA  C41 C  0  1 N N N 142.457 73.212 -15.362 -3.026  0.529  -0.888 CGA  AOH 43  
AOH CGD  C42 C  0  1 N N N 141.007 69.061 -11.197 0.756   3.390  -0.133 CGD  AOH 44  
AOH CHA  C43 C  0  1 N N N 139.817 71.214 -10.820 2.273   1.562  -0.770 CHA  AOH 45  
AOH CHB  C44 C  0  1 N N N 141.657 75.714 -10.372 2.554   -2.903 -0.834 CHB  AOH 46  
AOH CHC  C45 C  0  1 N N N 137.990 77.020 -7.319  6.846   -2.692 0.529  CHC  AOH 47  
AOH CHD  C46 C  0  1 N N N 136.201 72.445 -7.632  6.589   1.820  0.516  CHD  AOH 48  
AOH CMA  C47 C  0  1 N N N 143.696 73.526 -11.048 0.471   -2.153 1.770  CMA  AOH 49  
AOH CMB  C48 C  0  1 N N N 142.256 78.698 -9.435  3.982   -5.419 -2.572 CMB  AOH 50  
AOH CMC  C49 C  0  1 N N N 135.320 77.028 -5.868  8.150   -1.921 3.539  CMC  AOH 51  
AOH CMD  C50 C  0  1 N N N 135.877 69.478 -8.429  6.187   4.488  -1.390 CMD  AOH 52  
AOH NA   N3  N  0  1 N N R 140.484 73.571 -10.269 2.705   -0.655 0.004  NA   AOH 53  
AOH NC   N4  N  0  1 Y N N 137.479 74.601 -7.679  6.025   -0.484 1.048  NC   AOH 54  
AOH O1   O1  O  0  1 N N N 133.216 73.921 -7.150  7.716   0.737  4.808  O1   AOH 55  
AOH O1A  O2  O  0  1 N N N 141.683 74.050 -15.807 -2.747  1.108  -1.911 O1A  AOH 56  
AOH O1D  O3  O  0  1 N N N 141.474 68.332 -12.055 0.745   2.863  0.954  O1D  AOH 57  
AOH O2A  O4  O  0  1 N N N 143.732 73.723 -15.078 -4.311  0.301  -0.575 O2A  AOH 58  
AOH O2D  O5  O  0  1 N N N 141.688 69.124 -9.926  0.047   4.511  -0.343 O2D  AOH 59  
AOH OBD  O6  O  0  1 N N N 138.244 67.987 -10.808 2.436   4.850  -2.250 OBD  AOH 60  
AOH MG   MG1 MG 0  0 N N N 139.104 74.056 -8.846  4.602   -0.582 -0.206 MG   AOH 61  
AOH H12  H1  H  0  1 N N N 143.127 75.410 -16.130 -5.159  0.305  -2.481 H12  AOH 62  
AOH H11  H2  H  0  1 N N N 144.885 75.045 -16.192 -5.224  1.860  -1.617 H11  AOH 63  
AOH H2   H3  H  0  1 N N N 144.845 75.510 -13.554 -6.932  0.604  0.042  H2   AOH 64  
AOH H43  H4  H  0  1 N N N 142.461 78.693 -14.849 -6.743  -1.116 -3.467 H43  AOH 65  
AOH H41  H5  H  0  1 N N N 143.362 77.817 -16.132 -8.219  -0.195 -3.841 H41  AOH 66  
AOH H42  H6  H  0  1 N N N 141.924 77.059 -15.367 -6.676  0.658  -3.597 H42  AOH 67  
AOH H52  H7  H  0  1 N N N 143.130 78.423 -12.594 -9.248  -1.405 -1.826 H52  AOH 68  
AOH H51  H8  H  0  1 N N N 144.309 77.147 -12.139 -8.808  -0.788 -0.215 H51  AOH 69  
AOH H61  H9  H  0  1 N N N 146.112 78.285 -13.277 -9.606  1.469  -0.862 H61  AOH 70  
AOH H62  H10 H  0  1 N N N 144.977 79.420 -14.084 -10.045 0.852  -2.472 H62  AOH 71  
AOH H71  H11 H  0  1 N N N 144.467 79.543 -11.165 -11.753 -0.734 -1.303 H71  AOH 72  
AOH H92  H12 H  0  1 N N N 147.731 81.767 -12.621 -11.283 2.842  0.234  H92  AOH 73  
AOH H91  H13 H  0  1 N N N 147.713 80.004 -12.968 -11.475 2.024  1.803  H91  AOH 74  
AOH H93  H14 H  0  1 N N N 146.598 81.104 -13.848 -10.041 1.699  0.799  H93  AOH 75  
AOH H101 H15 H  0  0 N N N 145.886 80.803 -9.724  -13.767 1.305  0.860  H101 AOH 76  
AOH H102 H16 H  0  0 N N N 147.086 81.928 -10.445 -13.758 -0.073 -0.267 H102 AOH 77  
AOH H112 H17 H  0  0 N N N 145.198 83.387 -11.166 -12.593 -1.454 1.431  H112 AOH 78  
AOH H111 H18 H  0  0 N N N 144.078 82.298 -10.279 -12.602 -0.077 2.558  H111 AOH 79  
AOH H151 H19 H  0  0 N N N 143.781 84.662 -10.246 -14.335 -4.251 2.014  H151 AOH 80  
AOH H1   H20 H  0  1 N N N 143.081 85.265 -8.706  -13.565 -3.142 0.854  H1   AOH 81  
AOH H5   H21 H  0  1 N N N 144.363 86.207 -9.539  -13.000 -3.199 2.542  H5   AOH 82  
AOH H141 H22 H  0  0 N N N 146.268 84.337 -6.785  -16.260 -2.701 3.795  H141 AOH 83  
AOH H142 H23 H  0  0 N N N 145.927 86.005 -7.360  -16.952 -1.791 2.431  H142 AOH 84  
AOH H143 H24 H  0  0 N N N 144.645 85.063 -6.527  -16.545 -3.513 2.236  H143 AOH 85  
AOH H121 H25 H  0  0 N N N 146.293 82.786 -8.442  -15.231 -0.167 2.452  H121 AOH 86  
AOH HAA2 H26 H  0  0 N N N 140.153 71.705 -13.449 -0.515  1.528  -0.663 HAA2 AOH 87  
AOH HAA1 H27 H  0  0 N N N 140.568 73.437 -13.679 -0.449  -0.028 -1.526 HAA1 AOH 88  
AOH H6   H28 H  0  1 N N N 141.104 79.629 -7.310  7.748   -5.236 -0.927 H6   AOH 89  
AOH H3   H29 H  0  1 N N N 139.753 80.158 -8.369  6.641   -6.136 -1.991 H3   AOH 90  
AOH HAC  H30 H  0  1 N N N 133.768 74.977 -5.450  7.562   2.228  3.387  HAC  AOH 91  
AOH HBA2 H31 H  0  0 N N N 142.854 71.594 -14.049 -1.987  -1.021 0.147  HBA2 AOH 92  
AOH HBA1 H32 H  0  0 N N N 141.509 71.321 -15.208 -2.052  0.534  1.010  HBA1 AOH 93  
AOH H4   H33 H  0  1 N N N 139.619 80.894 -6.306  8.602   -5.297 -3.254 H4   AOH 94  
AOH HBB1 H34 H  0  0 N N N 138.303 79.745 -6.726  7.100   -4.533 -3.826 HBB1 AOH 95  
AOH H7   H35 H  0  1 N N N 139.655 79.216 -5.667  8.207   -3.632 -2.761 H7   AOH 96  
AOH HBC1 H36 H  0  0 N N N 133.159 72.699 -4.874  9.938   0.311  3.400  HBC1 AOH 97  
AOH HBC3 H37 H  0  0 N N N 134.551 72.077 -5.824  9.719   1.685  2.289  HBC3 AOH 98  
AOH HBC2 H38 H  0  0 N N N 134.838 73.081 -4.362  9.944   1.975  4.031  HBC2 AOH 99  
AOH HBD  H39 H  0  1 N N N 139.615 69.988 -12.530 0.910   2.537  -2.089 HBD  AOH 100 
AOH HED3 H40 H  0  0 N N N 143.334 68.545 -8.780  -1.234  5.938  0.478  HED3 AOH 101 
AOH HED1 H41 H  0  0 N N N 142.761 67.334 -9.977  -1.431  4.286  1.112  HED1 AOH 102 
AOH HED2 H42 H  0  0 N N N 143.658 68.789 -10.529 -0.027  5.266  1.600  HED2 AOH 103 
AOH HHB  H43 H  0  1 N N N 142.518 76.195 -10.812 1.850   -3.678 -1.100 HHB  AOH 104 
AOH HHC2 H44 H  0  0 N N N 137.698 77.908 -6.778  7.622   -3.409 0.753  HHC2 AOH 105 
AOH HHD1 H45 H  0  0 N N N 135.367 71.930 -7.179  7.295   2.610  0.724  HHD1 AOH 106 
AOH HMA3 H46 H  0  0 N N N 144.149 74.492 -10.782 -0.510  -1.873 2.155  HMA3 AOH 107 
AOH HMA2 H47 H  0  0 N N N 143.578 72.915 -10.141 0.550   -3.240 1.734  HMA2 AOH 108 
AOH HMA1 H48 H  0  0 N N N 144.346 73.000 -11.763 1.245   -1.754 2.425  HMA1 AOH 109 
AOH HMB3 H49 H  0  0 N N N 142.156 79.674 -8.938  4.046   -5.189 -3.635 HMB3 AOH 110 
AOH HMB2 H50 H  0  0 N N N 143.193 78.218 -9.116  4.509   -6.352 -2.370 HMB2 AOH 111 
AOH HMB1 H51 H  0  0 N N N 142.270 78.842 -10.525 2.936   -5.523 -2.285 HMB1 AOH 112 
AOH HMC3 H52 H  0  0 N N N 134.683 77.551 -6.597  9.190   -2.082 3.254  HMC3 AOH 113 
AOH HMC1 H53 H  0  0 N N N 134.705 76.686 -5.023  8.113   -1.401 4.496  HMC1 AOH 114 
AOH HMC2 H54 H  0  0 N N N 136.097 77.715 -5.501  7.645   -2.882 3.628  HMC2 AOH 115 
AOH HMD1 H55 H  0  0 N N N 135.988 68.487 -8.894  6.602   4.418  -2.395 HMD1 AOH 116 
AOH HMD3 H56 H  0  0 N N N 135.953 69.381 -7.336  5.600   5.402  -1.302 HMD3 AOH 117 
AOH HMD2 H57 H  0  0 N N N 134.895 69.898 -8.693  6.999   4.507  -0.662 HMD2 AOH 118 
AOH H8   H58 H  0  1 N N N 132.377 73.657 -6.790  8.075   1.284  5.520  H8   AOH 119 
AOH H2A  H59 H  0  1 N N N 142.319 71.614 -11.977 0.362   0.324  1.402  H2A  AOH 120 
AOH H3A  H60 H  0  1 N N N 142.446 74.402 -12.569 -0.089  -2.005 -0.318 H3A  AOH 121 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
AOH C1  C2   SING N N 1   
AOH C1  O2A  SING N N 2   
AOH C2  C3   DOUB N E 3   
AOH C3  C4   SING N N 4   
AOH C3  C5   SING N N 5   
AOH C5  C6   SING N N 6   
AOH C6  C7   SING N N 7   
AOH C7  C8   DOUB N E 8   
AOH C8  C9   SING N N 9   
AOH C8  C10  SING N N 10  
AOH C10 C11  SING N N 11  
AOH C11 C12  SING N N 12  
AOH C15 C13  SING N N 13  
AOH C14 C13  SING N N 14  
AOH C13 C12  DOUB N N 15  
AOH NB  C1B  DOUB N N 16  
AOH NB  C4B  SING N N 17  
AOH NB  MG   SING N N 18  
AOH ND  C1D  SING N N 19  
AOH ND  C4D  DOUB N N 20  
AOH ND  MG   SING N N 21  
AOH C1A C2A  SING N N 22  
AOH C1A CHA  DOUB N N 23  
AOH C1A NA   SING N N 24  
AOH C1B C2B  SING N N 25  
AOH C1B CHB  SING N N 26  
AOH C1C C2C  DOUB Y N 27  
AOH C1C CHC  SING N N 28  
AOH C1C NC   SING Y N 29  
AOH C1D C2D  SING N N 30  
AOH C1D CHD  DOUB N N 31  
AOH C2A C3A  SING N N 32  
AOH C2A CAA  SING N N 33  
AOH C2B C3B  DOUB N N 34  
AOH C2B CMB  SING N N 35  
AOH C2C C3C  SING Y N 36  
AOH C2C CMC  SING N N 37  
AOH C2D C3D  DOUB N N 38  
AOH C2D CMD  SING N N 39  
AOH C3A C4A  SING N N 40  
AOH C3A CMA  SING N N 41  
AOH C3B C4B  SING N N 42  
AOH C3B CAB  SING N N 43  
AOH C3C C4C  DOUB Y N 44  
AOH C3C CAC  SING N N 45  
AOH C3D C4D  SING N N 46  
AOH C3D CAD  SING N N 47  
AOH C4A CHB  DOUB N N 48  
AOH C4A NA   SING N N 49  
AOH C4B CHC  DOUB N N 50  
AOH C4C CHD  SING N N 51  
AOH C4C NC   SING Y N 52  
AOH C4D CHA  SING N N 53  
AOH CAA CBA  SING N N 54  
AOH CAB CBB  SING N N 55  
AOH CAC CBC  SING N N 56  
AOH CAC O1   SING N N 57  
AOH CAD CBD  SING N N 58  
AOH CAD OBD  DOUB N N 59  
AOH CBA CGA  SING N N 60  
AOH CBD CGD  SING N N 61  
AOH CBD CHA  SING N N 62  
AOH CED O2D  SING N N 63  
AOH CGA O1A  DOUB N N 64  
AOH CGA O2A  SING N N 65  
AOH CGD O1D  DOUB N N 66  
AOH CGD O2D  SING N N 67  
AOH NA  MG   SING N N 68  
AOH NC  MG   SING N N 69  
AOH C1  H12  SING N N 70  
AOH C1  H11  SING N N 71  
AOH C2  H2   SING N N 72  
AOH C4  H43  SING N N 73  
AOH C4  H41  SING N N 74  
AOH C4  H42  SING N N 75  
AOH C5  H52  SING N N 76  
AOH C5  H51  SING N N 77  
AOH C6  H61  SING N N 78  
AOH C6  H62  SING N N 79  
AOH C7  H71  SING N N 80  
AOH C9  H92  SING N N 81  
AOH C9  H91  SING N N 82  
AOH C9  H93  SING N N 83  
AOH C10 H101 SING N N 84  
AOH C10 H102 SING N N 85  
AOH C11 H112 SING N N 86  
AOH C11 H111 SING N N 87  
AOH C15 H151 SING N N 88  
AOH C15 H1   SING N N 89  
AOH C15 H5   SING N N 90  
AOH C14 H141 SING N N 91  
AOH C14 H142 SING N N 92  
AOH C14 H143 SING N N 93  
AOH C12 H121 SING N N 94  
AOH CAA HAA2 SING N N 95  
AOH CAA HAA1 SING N N 96  
AOH CAB H6   SING N N 97  
AOH CAB H3   SING N N 98  
AOH CAC HAC  SING N N 99  
AOH CBA HBA2 SING N N 100 
AOH CBA HBA1 SING N N 101 
AOH CBB H4   SING N N 102 
AOH CBB HBB1 SING N N 103 
AOH CBB H7   SING N N 104 
AOH CBC HBC1 SING N N 105 
AOH CBC HBC3 SING N N 106 
AOH CBC HBC2 SING N N 107 
AOH CBD HBD  SING N N 108 
AOH CED HED3 SING N N 109 
AOH CED HED1 SING N N 110 
AOH CED HED2 SING N N 111 
AOH CHB HHB  SING N N 112 
AOH CHC HHC2 SING N N 113 
AOH CHD HHD1 SING N N 114 
AOH CMA HMA3 SING N N 115 
AOH CMA HMA2 SING N N 116 
AOH CMA HMA1 SING N N 117 
AOH CMB HMB3 SING N N 118 
AOH CMB HMB2 SING N N 119 
AOH CMB HMB1 SING N N 120 
AOH CMC HMC3 SING N N 121 
AOH CMC HMC1 SING N N 122 
AOH CMC HMC2 SING N N 123 
AOH CMD HMD1 SING N N 124 
AOH CMD HMD3 SING N N 125 
AOH CMD HMD2 SING N N 126 
AOH O1  H8   SING N N 127 
AOH C2A H2A  SING N N 128 
AOH C3A H3A  SING N N 129 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
AOH InChI            InChI                1.03  
;InChI=1S/C50H61N4O6.Mg/c1-12-34-29(6)36-23-37-30(7)35(19-20-42(56)60-22-21-28(5)18-14-17-27(4)16-13-15-26(2)3)47(53-37)45-46(50(58)59-11)49(57)44-32(9)39(54-48(44)45)25-41-43(33(10)55)31(8)38(52-41)24-40(34)51-36;/h15,17,21,23-25,30,33,35,46,55H,12-14,16,18-20,22H2,1-11H3,(H-,51,52,53,54,57);/q-1;/p-1/b27-17+,28-21+;/t30-,33-,35-,46+;/m0./s1
;
AOH InChIKey         InChI                1.03  RSDQAIDZUXTOBN-UZWLNIDASA-M 
AOH SMILES_CANONICAL CACTVS               3.385 "CCC1=C(C)C2=[N@@-]3C1=Cc4n5c(C=C6C(=C7C(=O)[C@H](C(=O)OC)C8=C9[C@@H](CCC(=O)OC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](C)C(=C2)[N@]9[Mg]35[N@-]6=C78)C)c([C@H](C)O)c4C" 
AOH SMILES           CACTVS               3.385 "CCC1=C(C)C2=[N-]3C1=Cc4n5c(C=C6C(=C7C(=O)[CH](C(=O)OC)C8=C9[CH](CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)[CH](C)C(=C2)[N]9[Mg]35[N-]6=C78)C)c([CH](C)O)c4C" 
AOH SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "CCC1=C(C2=[N-]3C1=Cc4c(c(c5n4[Mg]36[N-]7=C8C(=C9N6C(=C2)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)[C@H](C(=O)C8=C(C7=C5)C)C(=O)OC)[C@H](C)O)C)C" 
AOH SMILES           "OpenEye OEToolkits" 2.0.6 "CCC1=C(C2=[N-]3C1=Cc4c(c(c5n4[Mg]36[N-]7=C8C(=C9N6C(=C2)C(C9CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C)C(C(=O)C8=C(C7=C5)C)C(=O)OC)C(C)O)C)C" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
AOH "Create component" 2017-08-11 RCSB 
AOH "Initial release"  2017-09-06 RCSB 
# 
