data_COY
# 
_chem_comp.id                                    COY 
_chem_comp.name                                  "CO-(ADENIN-9-YL-PENTYL)-COBALAMIN" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C72 H106 Co N18 O14 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    1 
_chem_comp.pdbx_initial_date                     2000-02-16 
_chem_comp.pdbx_modified_date                    2023-09-23 
_chem_comp.pdbx_ambiguous_flag                   Y 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        1537.631 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     COY 
_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        1EGV 
_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 
COY CO   CO   CO 2  0 N N N 66.613 -6.385  214.456 66.613 -6.385  214.456 CO   COY 1   
COY N21  N21  N  0  1 N N R 67.782 -7.594  215.229 67.782 -7.594  215.229 N21  COY 2   
COY N22  N22  N  0  1 N N S 66.395 -5.502  216.101 66.395 -5.502  216.101 N22  COY 3   
COY N23  N23  N  0  1 N N R 65.447 -5.288  213.461 65.447 -5.288  213.461 N23  COY 4   
COY N24  N24  N  -1 1 N N N 67.119 -7.232  212.880 67.119 -7.232  212.880 N24  COY 5   
COY C1   C1   C  0  1 N N R 68.181 -8.813  214.420 68.181 -8.813  214.420 C1   COY 6   
COY C20  C20  C  0  1 N N N 67.154 -9.890  214.453 67.154 -9.890  214.453 C20  COY 7   
COY C2   C2   C  0  1 N N S 69.538 -9.260  215.143 69.538 -9.260  215.143 C2   COY 8   
COY C25  C25  C  0  1 N N N 69.796 -10.746 215.094 69.796 -10.746 215.094 C25  COY 9   
COY C26  C26  C  0  1 N N N 70.753 -8.484  214.611 70.753 -8.484  214.611 C26  COY 10  
COY C27  C27  C  0  1 N N N 72.050 -8.950  215.307 72.050 -8.950  215.307 C27  COY 11  
COY O28  O28  O  0  1 N N N 72.252 -8.672  216.479 72.252 -8.672  216.479 O28  COY 12  
COY N29  N29  N  0  1 N N N 72.919 -9.666  214.610 72.919 -9.666  214.610 N29  COY 13  
COY C3   C3   C  0  1 N N S 69.253 -8.773  216.610 69.253 -8.773  216.610 C3   COY 14  
COY C30  C30  C  0  1 N N N 68.646 -9.734  217.673 68.646 -9.734  217.673 C30  COY 15  
COY C31  C31  C  0  1 N N N 69.679 -10.465 218.471 69.679 -10.465 218.471 C31  COY 16  
COY C32  C32  C  0  1 N N N 69.097 -11.359 219.531 69.097 -11.359 219.531 C32  COY 17  
COY O34  O34  O  0  1 N N N 69.470 -12.496 219.750 69.470 -12.496 219.750 O34  COY 18  
COY N33  N33  N  0  1 N N N 68.157 -10.827 220.223 68.157 -10.827 220.223 N33  COY 19  
COY C4   C4   C  0  1 N N N 68.386 -7.533  216.377 68.386 -7.533  216.377 C4   COY 20  
COY C5   C5   C  0  1 N N N 68.160 -6.534  217.363 68.160 -6.534  217.363 C5   COY 21  
COY C35  C35  C  0  1 N N N 69.105 -6.533  218.532 69.105 -6.533  218.532 C35  COY 22  
COY C6   C6   C  0  1 N N R 67.045 -5.728  217.310 67.045 -5.728  217.310 C6   COY 23  
COY C7   C7   C  0  1 N N S 66.712 -4.587  218.317 66.712 -4.587  218.317 C7   COY 24  
COY C36  C36  C  0  1 N N N 66.460 -5.010  219.760 66.460 -5.010  219.760 C36  COY 25  
COY C37  C37  C  0  1 N N N 67.732 -3.427  218.252 67.732 -3.427  218.252 C37  COY 26  
COY C38  C38  C  0  1 N N N 67.526 -2.190  219.156 67.526 -2.190  219.156 C38  COY 27  
COY O39  O39  O  0  1 N N N 66.539 -2.061  219.836 66.539 -2.061  219.836 O39  COY 28  
COY N40  N40  N  0  1 N N N 68.532 -1.275  219.103 68.532 -1.275  219.103 N40  COY 29  
COY C8   C8   C  0  1 N N S 65.393 -4.035  217.723 65.393 -4.035  217.723 C8   COY 30  
COY C41  C41  C  0  1 N N N 64.149 -4.794  218.318 64.149 -4.794  218.318 C41  COY 31  
COY C42  C42  C  0  1 N N N 62.794 -4.269  217.821 62.794 -4.269  217.821 C42  COY 32  
COY C43  C43  C  0  1 N N N 61.656 -5.225  217.708 61.656 -5.225  217.708 C43  COY 33  
COY O44  O44  O  0  1 N N N 61.742 -6.204  216.943 61.742 -6.204  216.943 O44  COY 34  
COY N45  N45  N  0  1 N N N 60.584 -4.994  218.424 60.584 -4.994  218.424 N45  COY 35  
COY C9   C9   C  0  1 N N N 65.517 -4.482  216.266 65.517 -4.482  216.266 C9   COY 36  
COY C10  C10  C  0  1 N N N 64.823 -3.820  215.260 64.823 -3.820  215.260 C10  COY 37  
COY C11  C11  C  0  1 N N S 64.816 -4.140  213.925 64.816 -4.140  213.925 C11  COY 38  
COY C12  C12  C  0  1 N N N 64.204 -3.357  212.760 64.204 -3.357  212.760 C12  COY 39  
COY C46  C46  C  0  1 N N N 65.369 -2.503  212.147 65.369 -2.503  212.147 C46  COY 40  
COY C47  C47  C  0  1 N N N 63.088 -2.435  213.167 63.088 -2.435  213.167 C47  COY 41  
COY C13  C13  C  0  1 N N S 63.913 -4.507  211.770 63.913 -4.507  211.770 C13  COY 42  
COY C48  C48  C  0  1 N N N 62.531 -5.173  211.853 62.531 -5.173  211.853 C48  COY 43  
COY C49  C49  C  0  1 N N N 62.076 -5.798  213.229 62.076 -5.798  213.229 C49  COY 44  
COY C50  C50  C  0  1 N N N 60.632 -6.044  213.392 60.632 -6.044  213.392 C50  COY 45  
COY O51  O51  O  0  1 N N N 59.837 -6.056  212.432 59.837 -6.056  212.432 O51  COY 46  
COY N52  N52  N  0  1 N N N 60.237 -6.272  214.659 60.237 -6.272  214.659 N52  COY 47  
COY C14  C14  C  0  1 N N N 64.993 -5.529  212.164 64.993 -5.529  212.164 C14  COY 48  
COY C15  C15  C  0  1 N N N 65.603 -6.357  211.244 65.603 -6.357  211.244 C15  COY 49  
COY C53  C53  C  0  1 N N N 64.989 -6.281  209.864 64.989 -6.281  209.864 C53  COY 50  
COY C16  C16  C  0  1 N N R 66.697 -7.207  211.623 66.697 -7.207  211.623 C16  COY 51  
COY C17  C17  C  0  1 N N R 67.617 -8.020  210.694 67.617 -8.020  210.694 C17  COY 52  
COY C54  C54  C  0  1 N N N 68.742 -7.043  210.236 68.742 -7.043  210.236 C54  COY 53  
COY C55  C55  C  0  1 N N N 67.051 -8.809  209.518 67.051 -8.809  209.518 C55  COY 54  
COY C56  C56  C  0  1 N N N 65.903 -9.794  209.824 65.903 -9.794  209.824 C56  COY 55  
COY C57  C57  C  0  1 N N N 65.158 -10.235 208.603 65.158 -10.235 208.603 C57  COY 56  
COY O58  O58  O  0  1 N N N 64.926 -9.345  207.711 64.926 -9.345  207.711 O58  COY 57  
COY N59  N59  N  0  1 N N N 64.748 -11.477 208.446 64.748 -11.477 208.446 N59  COY 58  
COY C18  C18  C  0  1 N N R 68.240 -9.033  211.734 68.240 -9.033  211.734 C18  COY 59  
COY C60  C60  C  0  1 N N N 69.594 -9.642  211.416 69.594 -9.642  211.416 C60  COY 60  
COY C61  C61  C  0  1 N N N 69.557 -11.161 211.411 69.557 -11.161 211.411 C61  COY 61  
COY O63  O63  O  0  1 N N N 68.498 -11.734 211.058 68.498 -11.734 211.058 O63  COY 62  
COY N62  N62  N  0  1 N N N 70.597 -11.886 211.753 70.597 -11.886 211.753 N62  COY 63  
COY C19  C19  C  0  1 N N R 68.301 -8.146  212.997 68.301 -8.146  212.997 C19  COY 64  
COY C1P  C1P  C  0  1 N N N 63.982 -11.811 207.244 63.982 -11.811 207.244 C1P  COY 65  
COY C2P  C2P  C  0  1 N N R 62.480 -11.821 207.464 62.480 -11.821 207.464 C2P  COY 66  
COY C3P  C3P  C  0  1 N N N 61.666 -12.099 206.230 61.666 -12.099 206.230 C3P  COY 67  
COY O3   O3   O  0  1 N N N 62.285 -12.913 208.402 62.285 -12.913 208.402 O3   COY 68  
COY O4   O4   O  0  1 N N N 61.481 -13.812 210.566 61.481 -13.812 210.566 O4   COY 69  
COY O5   O5   O  0  1 N N N 60.060 -12.113 209.317 60.060 -12.113 209.317 O5   COY 70  
COY P    P    P  0  1 N N N 61.410 -12.626 209.684 61.410 -12.626 209.684 P    COY 71  
COY O2   O2   O  0  1 N N N 62.304 -11.446 210.326 62.304 -11.446 210.326 O2   COY 72  
COY C3R  C3R  C  0  1 N N S 61.866 -10.753 211.491 61.866 -10.753 211.491 C3R  COY 73  
COY C2R  C2R  C  0  1 N N R 62.761 -10.864 212.668 62.761 -10.864 212.668 C2R  COY 74  
COY O7R  O7R  O  0  1 N N N 64.110 -10.676 212.354 64.110 -10.676 212.354 O7R  COY 75  
COY C1R  C1R  C  0  1 N N S 62.262 -9.663  213.514 62.262 -9.663  213.514 C1R  COY 76  
COY O6R  O6R  O  0  1 N N N 61.760 -8.704  212.618 61.760 -8.704  212.618 O6R  COY 77  
COY C4R  C4R  C  0  1 N N R 61.782 -9.265  211.252 61.782 -9.265  211.252 C4R  COY 78  
COY C5R  C5R  C  0  1 N N N 60.542 -8.733  210.557 60.542 -8.733  210.557 C5R  COY 79  
COY O8R  O8R  O  0  1 N N N 59.347 -8.989  211.275 59.347 -8.989  211.275 O8R  COY 80  
COY N1B  N1B  N  0  1 Y N N 63.236 -9.027  214.351 63.236 -9.027  214.351 N1B  COY 81  
COY C8B  C8B  C  0  1 Y N N 63.408 -9.113  215.703 63.408 -9.113  215.703 C8B  COY 82  
COY C2B  C2B  C  0  1 Y N N 64.215 -8.213  213.897 64.215 -8.213  213.897 C2B  COY 83  
COY N3B  N3B  N  0  1 Y N N 65.068 -7.774  214.814 65.068 -7.774  214.814 N3B  COY 84  
COY C9B  C9B  C  0  1 Y N N 64.556 -8.357  215.997 64.556 -8.357  215.997 C9B  COY 85  
COY C4B  C4B  C  0  1 Y N N 65.039 -8.346  217.323 65.039 -8.346  217.323 C4B  COY 86  
COY C5B  C5B  C  0  1 Y N N 64.382 -9.028  218.335 64.382 -9.028  218.335 C5B  COY 87  
COY C5M  C5M  C  0  1 N N N 64.905 -8.924  219.743 64.905 -8.924  219.743 C5M  COY 88  
COY C6B  C6B  C  0  1 Y N N 63.224 -9.812  218.015 63.224 -9.812  218.015 C6B  COY 89  
COY C6M  C6M  C  0  1 N N N 62.475 -10.549 219.093 62.475 -10.549 219.093 C6M  COY 90  
COY C7B  C7B  C  0  1 Y N N 62.759 -9.830  216.693 62.759 -9.830  216.693 C7B  COY 91  
COY C71  C71  C  0  1 N N N 68.502 -0.794  214.314 68.502 -0.794  214.314 C71  COY 92  
COY C72  C72  C  0  1 N N N 69.697 -1.708  214.244 69.697 -1.708  214.244 C72  COY 93  
COY C73  C73  C  0  1 N N N 69.413 -3.125  213.814 69.413 -3.125  213.814 C73  COY 94  
COY C74  C74  C  0  1 N N N 68.205 -3.754  214.478 68.205 -3.754  214.478 C74  COY 95  
COY C75  C75  C  0  1 N N N 67.961 -5.150  213.924 67.961 -5.150  213.924 C75  COY 96  
COY N6A  N6A  N  0  1 N N N 65.075 1.346   209.798 65.075 1.346   209.798 N6A  COY 97  
COY C6A  C6A  C  0  1 Y N N 65.460 1.211   211.116 65.460 1.211   211.116 C6A  COY 98  
COY C5A  C5A  C  0  1 Y N N 66.598 0.482   211.506 66.598 0.482   211.506 C5A  COY 99  
COY N7A  N7A  N  0  1 Y N N 67.419 -0.413  210.820 67.419 -0.413  210.820 N7A  COY 100 
COY C8A  C8A  C  0  1 Y N N 68.240 -0.848  211.741 68.240 -0.848  211.741 C8A  COY 101 
COY N9A  N9A  N  0  1 Y N N 67.945 -0.389  213.005 67.945 -0.389  213.005 N9A  COY 102 
COY C4A  C4A  C  0  1 Y N N 66.798 0.376   212.872 66.798 0.376   212.872 C4A  COY 103 
COY N3A  N3A  N  0  1 Y N N 66.113 0.967   213.879 66.113 0.967   213.879 N3A  COY 104 
COY C2A  C2A  C  0  1 Y N N 65.145 1.736   213.371 65.145 1.736   213.371 C2A  COY 105 
COY N1A  N1A  N  0  1 Y N N 64.778 1.856   212.080 64.778 1.856   212.080 N1A  COY 106 
COY H201 H201 H  0  0 N N N 67.498 -10.744 213.851 67.498 -10.744 213.851 H201 COY 107 
COY H202 H202 H  0  0 N N N 66.996 -10.214 215.492 66.996 -10.214 215.492 H202 COY 108 
COY H203 H203 H  0  0 N N N 66.209 -9.508  214.040 66.209 -9.508  214.040 H203 COY 109 
COY H251 H251 H  0  0 N N N 70.741 -10.972 215.609 70.741 -10.972 215.609 H251 COY 110 
COY H252 H252 H  0  0 N N N 68.972 -11.278 215.591 68.971 -11.278 215.591 H252 COY 111 
COY H253 H253 H  0  0 N N N 69.863 -11.072 214.046 69.863 -11.072 214.046 H253 COY 112 
COY H261 H261 H  0  0 N N N 70.844 -8.655  213.528 70.844 -8.655  213.528 H261 COY 113 
COY H262 H262 H  0  0 N N N 70.607 -7.411  214.802 70.607 -7.411  214.802 H262 COY 114 
COY H291 H291 H  0  0 N N N 73.760 -9.990  215.042 73.760 -9.990  215.042 H291 COY 115 
COY H292 H292 H  0  0 N N N 72.734 -9.882  213.651 72.734 -9.882  213.651 H292 COY 116 
COY H3   H3   H  0  1 N N N 70.214 -8.421  217.015 70.214 -8.421  217.014 H3   COY 117 
COY H301 H301 H  0  0 N N N 68.026 -9.144  218.363 68.026 -9.144  218.363 H301 COY 118 
COY H302 H302 H  0  0 N N N 68.017 -10.474 217.156 68.017 -10.474 217.156 H302 COY 119 
COY H311 H311 H  0  0 N N N 70.276 -11.083 217.784 70.276 -11.083 217.784 H311 COY 120 
COY H312 H312 H  0  0 N N N 70.330 -9.725  218.959 70.330 -9.725  218.959 H312 COY 121 
COY H331 H331 H  0  0 N N N 67.719 -11.348 220.955 67.719 -11.348 220.956 H331 COY 122 
COY H332 H332 H  0  0 N N N 67.862 -9.891  220.030 67.862 -9.891  220.030 H332 COY 123 
COY H351 H351 H  0  0 N N N 68.833 -5.722  219.223 68.833 -5.722  219.223 H351 COY 124 
COY H352 H352 H  0  0 N N N 69.041 -7.498  219.056 69.041 -7.498  219.056 H352 COY 125 
COY H353 H353 H  0  0 N N N 70.133 -6.379  218.172 70.133 -6.379  218.172 H353 COY 126 
COY H66  H66  H  0  1 N N N 66.329 -6.459  217.714 66.329 -6.459  217.714 H66  COY 127 
COY H361 H361 H  0  0 N N N 66.237 -4.122  220.369 66.237 -4.122  220.369 H361 COY 128 
COY H362 H362 H  0  0 N N N 65.606 -5.703  219.795 65.606 -5.703  219.795 H362 COY 129 
COY H363 H363 H  0  0 N N N 67.355 -5.511  220.157 67.355 -5.511  220.157 H363 COY 130 
COY H371 H371 H  0  0 N N N 68.716 -3.849  218.505 68.716 -3.849  218.505 H371 COY 131 
COY H372 H372 H  0  0 N N N 67.744 -3.067  217.213 67.744 -3.067  217.213 H372 COY 132 
COY H401 H401 H  0  0 N N N 68.476 -0.439  219.648 68.476 -0.439  219.648 H401 COY 133 
COY H402 H402 H  0  0 N N N 69.327 -1.439  218.519 69.327 -1.439  218.519 H402 COY 134 
COY H8   H8   H  0  1 N N N 65.305 -2.944  217.830 65.305 -2.944  217.830 H8   COY 135 
COY H411 H411 H  0  0 N N N 64.229 -5.856  218.043 64.229 -5.856  218.043 H411 COY 136 
COY H412 H412 H  0  0 N N N 64.176 -4.696  219.413 64.176 -4.695  219.413 H412 COY 137 
COY H421 H421 H  0  0 N N N 62.481 -3.473  218.513 62.481 -3.473  218.513 H421 COY 138 
COY H422 H422 H  0  0 N N N 62.959 -3.842  216.821 62.959 -3.842  216.821 H422 COY 139 
COY H451 H451 H  0  0 N N N 59.801 -5.613  218.366 59.801 -5.614  218.366 H451 COY 140 
COY H452 H452 H  0  0 N N N 60.548 -4.198  219.028 60.548 -4.198  219.028 H452 COY 141 
COY H10  H10  H  0  1 N N N 64.230 -2.968  215.559 64.230 -2.968  215.559 H10  COY 142 
COY H111 H111 H  0  0 N N N 63.877 -4.698  214.054 63.877 -4.698  214.054 H111 COY 143 
COY H461 H461 H  0  0 N N N 64.987 -1.915  211.300 64.987 -1.915  211.300 H461 COY 144 
COY H462 H462 H  0  0 N N N 65.768 -1.823  212.914 65.768 -1.824  212.914 H462 COY 145 
COY H463 H463 H  0  0 N N N 66.169 -3.172  211.797 66.169 -3.172  211.797 H463 COY 146 
COY H471 H471 H  0  0 N N N 62.702 -1.911  212.280 62.702 -1.911  212.280 H471 COY 147 
COY H472 H472 H  0  0 N N N 62.279 -3.020  213.628 62.278 -3.020  213.628 H472 COY 148 
COY H473 H473 H  0  0 N N N 63.466 -1.699  213.892 63.466 -1.699  213.892 H473 COY 149 
COY H13  H13  H  0  1 N N N 64.093 -4.159  210.742 64.093 -4.160  210.742 H13  COY 150 
COY H481 H481 H  0  0 N N N 61.786 -4.410  211.581 61.786 -4.410  211.581 H481 COY 151 
COY H482 H482 H  0  0 N N N 62.516 -5.982  211.108 62.516 -5.982  211.108 H482 COY 152 
COY H491 H491 H  0  0 N N N 62.595 -6.761  213.347 62.595 -6.761  213.347 H491 COY 153 
COY H492 H492 H  0  0 N N N 62.391 -5.111  214.029 62.391 -5.111  214.029 H492 COY 154 
COY H521 H521 H  0  0 N N N 59.275 -6.460  214.857 59.275 -6.460  214.857 H521 COY 155 
COY H522 H522 H  0  0 N N N 60.906 -6.254  215.402 60.906 -6.254  215.402 H522 COY 156 
COY H531 H531 H  0  0 N N N 65.523 -6.964  209.186 65.523 -6.964  209.186 H531 COY 157 
COY H532 H532 H  0  0 N N N 63.930 -6.572  209.918 63.930 -6.572  209.918 H532 COY 158 
COY H533 H533 H  0  0 N N N 65.068 -5.252  209.484 65.068 -5.252  209.484 H533 COY 159 
COY H116 H116 H  0  0 N N N 66.030 -8.067  211.781 66.030 -8.067  211.781 H116 COY 160 
COY H541 H541 H  0  0 N N N 69.436 -7.571  209.565 69.436 -7.571  209.565 H541 COY 161 
COY H542 H542 H  0  0 N N N 68.293 -6.191  209.704 68.294 -6.191  209.704 H542 COY 162 
COY H543 H543 H  0  0 N N N 69.291 -6.677  211.116 69.291 -6.677  211.116 H543 COY 163 
COY H551 H551 H  0  0 N N N 66.678 -8.083  208.780 66.678 -8.083  208.780 H551 COY 164 
COY H552 H552 H  0  0 N N N 67.877 -9.388  209.078 67.877 -9.388  209.078 H552 COY 165 
COY H561 H561 H  0  0 N N N 66.327 -10.683 210.314 66.327 -10.683 210.314 H561 COY 166 
COY H562 H562 H  0  0 N N N 65.194 -9.302  210.507 65.194 -9.302  210.507 H562 COY 167 
COY H59  H59  H  0  1 N N N 64.955 -12.175 209.132 64.955 -12.175 209.132 H59  COY 168 
COY H18  H18  H  0  1 N N N 67.514 -9.842  211.905 67.514 -9.842  211.905 H18  COY 169 
COY H601 H601 H  0  0 N N N 69.914 -9.293  210.423 69.914 -9.293  210.423 H601 COY 170 
COY H602 H602 H  0  0 N N N 70.318 -9.308  212.174 70.318 -9.308  212.173 H602 COY 171 
COY H621 H621 H  0  0 N N N 70.540 -12.884 211.730 70.540 -12.884 211.730 H621 COY 172 
COY H622 H622 H  0  0 N N N 71.446 -11.440 212.036 71.446 -11.440 212.036 H622 COY 173 
COY H119 H119 H  0  0 N N N 69.226 -7.552  212.969 69.226 -7.552  212.969 H119 COY 174 
COY H1P1 H1P1 H  0  0 N N N 64.215 -11.069 206.466 64.215 -11.069 206.466 H1P1 COY 175 
COY H1P2 H1P2 H  0  0 N N N 64.290 -12.810 206.902 64.290 -12.810 206.902 H1P2 COY 176 
COY H2P  H2P  H  0  1 N N N 62.165 -10.867 207.911 62.166 -10.867 207.911 H2P  COY 177 
COY H3P1 H3P1 H  0  0 N N N 60.596 -12.086 206.485 60.596 -12.086 206.485 H3P1 COY 178 
COY H3P2 H3P2 H  0  0 N N N 61.872 -11.327 205.474 61.872 -11.327 205.474 H3P2 COY 179 
COY H3P3 H3P3 H  0  0 N N N 61.935 -13.087 205.828 61.935 -13.087 205.828 H3P3 COY 180 
COY HOP5 HOP5 H  0  0 N N N 59.394 -12.653 209.726 59.394 -12.653 209.726 HOP5 COY 181 
COY H3R  H3R  H  0  1 N N N 60.866 -11.113 211.776 60.866 -11.113 211.775 H3R  COY 182 
COY H2R  H2R  H  0  1 N N N 62.585 -11.805 213.210 62.585 -11.805 213.210 H2R  COY 183 
COY HOR7 HOR7 H  0  0 N N N 64.634 -10.758 213.142 64.633 -10.758 213.143 HOR7 COY 184 
COY H1R  H1R  H  0  1 N N N 61.440 -10.029 214.146 61.440 -10.030 214.146 H1R  COY 185 
COY H4R  H4R  H  0  1 N N N 62.680 -8.924  210.716 62.680 -8.924  210.716 H4R  COY 186 
COY H5R1 H5R1 H  0  0 N N N 60.650 -7.645  210.434 60.650 -7.645  210.434 H5R1 COY 187 
COY H5R2 H5R2 H  0  0 N N N 60.464 -9.208  209.568 60.464 -9.208  209.568 H5R2 COY 188 
COY HOR8 HOR8 H  0  0 N N N 58.607 -8.636  210.795 58.607 -8.636  210.795 HOR8 COY 189 
COY H2B  H2B  H  0  1 N N N 64.298 -7.938  212.856 64.298 -7.938  212.856 H2B  COY 190 
COY H4B  H4B  H  0  1 N N N 65.939 -7.795  217.554 65.939 -7.795  217.554 H4B  COY 191 
COY HM51 HM51 H  0  0 N N N 64.428 -8.073  220.250 64.428 -8.073  220.250 HM51 COY 192 
COY HM52 HM52 H  0  0 N N N 64.675 -9.851  220.289 64.675 -9.851  220.289 HM52 COY 193 
COY HM53 HM53 H  0  0 N N N 65.994 -8.773  219.719 65.994 -8.773  219.719 HM53 COY 194 
COY HM61 HM61 H  0  0 N N N 61.708 -9.889  219.524 61.708 -9.889  219.524 HM61 COY 195 
COY HM62 HM62 H  0  0 N N N 61.993 -11.439 218.662 61.993 -11.439 218.662 HM62 COY 196 
COY HM63 HM63 H  0  0 N N N 63.177 -10.859 219.881 63.177 -10.858 219.881 HM63 COY 197 
COY H7B  H7B  H  0  1 N N N 61.883 -10.411 216.444 61.883 -10.411 216.444 H7B  COY 198 
COY H711 H711 H  0  0 N N N 67.710 -1.311  214.876 67.710 -1.311  214.876 H711 COY 199 
COY H712 H712 H  0  0 N N N 68.801 0.117   214.854 68.801 0.117   214.854 H712 COY 200 
COY H721 H721 H  0  0 N N N 70.412 -1.275  213.529 70.412 -1.275  213.529 H721 COY 201 
COY H722 H722 H  0  0 N N N 70.154 -1.744  215.244 70.154 -1.744  215.244 H722 COY 202 
COY H731 H731 H  0  0 N N N 69.247 -3.127  212.727 69.247 -3.127  212.727 H731 COY 203 
COY H732 H732 H  0  0 N N N 70.294 -3.739  214.052 70.294 -3.739  214.052 H732 COY 204 
COY H741 H741 H  0  0 N N N 68.381 -3.820  215.562 68.381 -3.820  215.562 H741 COY 205 
COY H742 H742 H  0  0 N N N 67.320 -3.129  214.287 67.320 -3.129  214.287 H742 COY 206 
COY H751 H751 H  0  0 N N N 68.910 -5.684  214.080 68.910 -5.685  214.080 H751 COY 207 
COY H752 H752 H  0  0 N N N 67.797 -5.001  212.847 67.797 -5.001  212.847 H752 COY 208 
COY H6A1 H6A1 H  0  0 N N N 64.281 1.952   209.742 64.281 1.952   209.742 H6A1 COY 209 
COY H6A2 H6A2 H  0  0 N N N 65.829 1.735   209.269 65.829 1.735   209.269 H6A2 COY 210 
COY H8A  H8A  H  0  1 N N N 69.071 -1.505  211.530 69.071 -1.505  211.530 H8A  COY 211 
COY H2A  H2A  H  0  1 N N N 64.591 2.333   214.080 64.590 2.333   214.080 H2A  COY 212 
# 
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 
COY CO  N21  SING N N 1   
COY CO  N22  SING N N 2   
COY CO  N23  SING N N 3   
COY CO  N24  SING N N 4   
COY CO  C75  SING N N 5   
COY N21 C1   SING N N 6   
COY N21 C4   SING N N 7   
COY N22 C6   SING N N 8   
COY N22 C9   SING N N 9   
COY N23 C11  SING N N 10  
COY N23 C14  SING N N 11  
COY N24 C16  SING N N 12  
COY N24 C19  SING N N 13  
COY C1  C20  SING N N 14  
COY C1  C2   SING N N 15  
COY C1  C19  SING N N 16  
COY C20 H201 SING N N 17  
COY C20 H202 SING N N 18  
COY C20 H203 SING N N 19  
COY C2  C25  SING N N 20  
COY C2  C26  SING N N 21  
COY C2  C3   SING N N 22  
COY C25 H251 SING N N 23  
COY C25 H252 SING N N 24  
COY C25 H253 SING N N 25  
COY C26 C27  SING N N 26  
COY C26 H261 SING N N 27  
COY C26 H262 SING N N 28  
COY C27 O28  DOUB N N 29  
COY C27 N29  SING N N 30  
COY N29 H291 SING N N 31  
COY N29 H292 SING N N 32  
COY C3  C30  SING N N 33  
COY C3  C4   SING N N 34  
COY C3  H3   SING N N 35  
COY C30 C31  SING N N 36  
COY C30 H301 SING N N 37  
COY C30 H302 SING N N 38  
COY C31 C32  SING N N 39  
COY C31 H311 SING N N 40  
COY C31 H312 SING N N 41  
COY C32 O34  DOUB N N 42  
COY C32 N33  SING N N 43  
COY N33 H331 SING N N 44  
COY N33 H332 SING N N 45  
COY C4  C5   DOUB N N 46  
COY C5  C35  SING N N 47  
COY C5  C6   SING N N 48  
COY C35 H351 SING N N 49  
COY C35 H352 SING N N 50  
COY C35 H353 SING N N 51  
COY C6  C7   SING N N 52  
COY C6  H66  SING N N 53  
COY C7  C36  SING N N 54  
COY C7  C37  SING N N 55  
COY C7  C8   SING N N 56  
COY C36 H361 SING N N 57  
COY C36 H362 SING N N 58  
COY C36 H363 SING N N 59  
COY C37 C38  SING N N 60  
COY C37 H371 SING N N 61  
COY C37 H372 SING N N 62  
COY C38 O39  DOUB N N 63  
COY C38 N40  SING N N 64  
COY N40 H401 SING N N 65  
COY N40 H402 SING N N 66  
COY C8  C41  SING N N 67  
COY C8  C9   SING N N 68  
COY C8  H8   SING N N 69  
COY C41 C42  SING N N 70  
COY C41 H411 SING N N 71  
COY C41 H412 SING N N 72  
COY C42 C43  SING N N 73  
COY C42 H421 SING N N 74  
COY C42 H422 SING N N 75  
COY C43 O44  DOUB N N 76  
COY C43 N45  SING N N 77  
COY N45 H451 SING N N 78  
COY N45 H452 SING N N 79  
COY C9  C10  DOUB N N 80  
COY C10 C11  SING N N 81  
COY C10 H10  SING N N 82  
COY C11 C12  SING N N 83  
COY C11 H111 SING N N 84  
COY C12 C46  SING N N 85  
COY C12 C47  SING N N 86  
COY C12 C13  SING N N 87  
COY C46 H461 SING N N 88  
COY C46 H462 SING N N 89  
COY C46 H463 SING N N 90  
COY C47 H471 SING N N 91  
COY C47 H472 SING N N 92  
COY C47 H473 SING N N 93  
COY C13 C48  SING N N 94  
COY C13 C14  SING N N 95  
COY C13 H13  SING N N 96  
COY C48 C49  SING N N 97  
COY C48 H481 SING N N 98  
COY C48 H482 SING N N 99  
COY C49 C50  SING N N 100 
COY C49 H491 SING N N 101 
COY C49 H492 SING N N 102 
COY C50 O51  DOUB N N 103 
COY C50 N52  SING N N 104 
COY N52 H521 SING N N 105 
COY N52 H522 SING N N 106 
COY C14 C15  DOUB N N 107 
COY C15 C53  SING N N 108 
COY C15 C16  SING N N 109 
COY C53 H531 SING N N 110 
COY C53 H532 SING N N 111 
COY C53 H533 SING N N 112 
COY C16 C17  SING N N 113 
COY C16 H116 SING N N 114 
COY C17 C54  SING N N 115 
COY C17 C55  SING N N 116 
COY C17 C18  SING N N 117 
COY C54 H541 SING N N 118 
COY C54 H542 SING N N 119 
COY C54 H543 SING N N 120 
COY C55 C56  SING N N 121 
COY C55 H551 SING N N 122 
COY C55 H552 SING N N 123 
COY C56 C57  SING N N 124 
COY C56 H561 SING N N 125 
COY C56 H562 SING N N 126 
COY C57 O58  DOUB N N 127 
COY C57 N59  SING N N 128 
COY N59 C1P  SING N N 129 
COY N59 H59  SING N N 130 
COY C18 C60  SING N N 131 
COY C18 C19  SING N N 132 
COY C18 H18  SING N N 133 
COY C60 C61  SING N N 134 
COY C60 H601 SING N N 135 
COY C60 H602 SING N N 136 
COY C61 O63  DOUB N N 137 
COY C61 N62  SING N N 138 
COY N62 H621 SING N N 139 
COY N62 H622 SING N N 140 
COY C19 H119 SING N N 141 
COY C1P C2P  SING N N 142 
COY C1P H1P1 SING N N 143 
COY C1P H1P2 SING N N 144 
COY C2P C3P  SING N N 145 
COY C2P O3   SING N N 146 
COY C2P H2P  SING N N 147 
COY C3P H3P1 SING N N 148 
COY C3P H3P2 SING N N 149 
COY C3P H3P3 SING N N 150 
COY O3  P    SING N N 151 
COY O4  P    DOUB N N 152 
COY O5  P    SING N N 153 
COY O5  HOP5 SING N N 154 
COY P   O2   SING N N 155 
COY O2  C3R  SING N N 156 
COY C3R C2R  SING N N 157 
COY C3R C4R  SING N N 158 
COY C3R H3R  SING N N 159 
COY C2R O7R  SING N N 160 
COY C2R C1R  SING N N 161 
COY C2R H2R  SING N N 162 
COY O7R HOR7 SING N N 163 
COY C1R O6R  SING N N 164 
COY C1R N1B  SING N N 165 
COY C1R H1R  SING N N 166 
COY O6R C4R  SING N N 167 
COY C4R C5R  SING N N 168 
COY C4R H4R  SING N N 169 
COY C5R O8R  SING N N 170 
COY C5R H5R1 SING N N 171 
COY C5R H5R2 SING N N 172 
COY O8R HOR8 SING N N 173 
COY N1B C8B  SING Y N 174 
COY N1B C2B  SING Y N 175 
COY C8B C9B  SING Y N 176 
COY C8B C7B  DOUB Y N 177 
COY C2B N3B  DOUB Y N 178 
COY C2B H2B  SING N N 179 
COY N3B C9B  SING Y N 180 
COY C9B C4B  DOUB Y N 181 
COY C4B C5B  SING Y N 182 
COY C4B H4B  SING N N 183 
COY C5B C5M  SING N N 184 
COY C5B C6B  DOUB Y N 185 
COY C5M HM51 SING N N 186 
COY C5M HM52 SING N N 187 
COY C5M HM53 SING N N 188 
COY C6B C6M  SING N N 189 
COY C6B C7B  SING Y N 190 
COY C6M HM61 SING N N 191 
COY C6M HM62 SING N N 192 
COY C6M HM63 SING N N 193 
COY C7B H7B  SING N N 194 
COY C71 C72  SING N N 195 
COY C71 N9A  SING N N 196 
COY C71 H711 SING N N 197 
COY C71 H712 SING N N 198 
COY C72 C73  SING N N 199 
COY C72 H721 SING N N 200 
COY C72 H722 SING N N 201 
COY C73 C74  SING N N 202 
COY C73 H731 SING N N 203 
COY C73 H732 SING N N 204 
COY C74 C75  SING N N 205 
COY C74 H741 SING N N 206 
COY C74 H742 SING N N 207 
COY C75 H751 SING N N 208 
COY C75 H752 SING N N 209 
COY N6A C6A  SING N N 210 
COY N6A H6A1 SING N N 211 
COY N6A H6A2 SING N N 212 
COY C6A C5A  DOUB Y N 213 
COY C6A N1A  SING Y N 214 
COY C5A N7A  SING Y N 215 
COY C5A C4A  SING Y N 216 
COY N7A C8A  DOUB Y N 217 
COY C8A N9A  SING Y N 218 
COY C8A H8A  SING N N 219 
COY N9A C4A  SING Y N 220 
COY C4A N3A  DOUB Y N 221 
COY N3A C2A  SING Y N 222 
COY C2A N1A  DOUB Y N 223 
COY C2A H2A  SING N N 224 
# 
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 
COY InChI            InChI                1.06  "InChI=1S/C62H92N13O14P.C10H14N5.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2-3-4-5-15-7-14-8-9(11)12-6-13-10(8)15;/h20-21,23,28,31,34-37,41-42,52-57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);6-7H,1-5H2,(H2,11,12,13);/q-4;;+5/b38-23-,50-32-,51-33-;;/t31-,34-,35-,36-,37+,41-,42+,52-,53-,54+,55+,56-,57+,59-,60+,61+,62+;;/m1../s1" 
COY InChIKey         InChI                1.06  KWGNLVVAVJCVFN-OGKXECBZSA-N                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
COY SMILES_CANONICAL CACTVS               3.385 "C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2[N-][C@H]1C(=C3[C@@H](CCC(N)=O)C(C)(C)[C@@H]4C=C5[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@H]6[N@@]5[Co++](CCCCCn7cnc8c(N)ncnc78)([N@@]34)[N@@]9C(=C6C)[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]29C)C)O[P](O)(=O)O[C@H]%10[C@@H](O)[C@H](O[C@@H]%10CO)n%11cnc%12cc(C)c(C)cc%11%12"                                                                                                                                                                                                                                                                                                                                                  
COY SMILES           CACTVS               3.385 "C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N-][CH]1C(=C3[CH](CCC(N)=O)C(C)(C)[CH]4C=C5[CH](CCC(N)=O)[C](C)(CC(N)=O)[CH]6[N]5[Co++](CCCCCn7cnc8c(N)ncnc78)([N]34)[N]9C(=C6C)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]29C)C)O[P](O)(=O)O[CH]%10[CH](O)[CH](O[CH]%10CO)n%11cnc%12cc(C)c(C)cc%11%12"                                                                                                                                                                                                                                                                                                                                                                                
COY SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C7=C([C@H]8[C@@]([C@@H](C9=CC1C([C@@H](C2=C(C4[N-]5[Co+2](N89)(N12)(N76)CCCCCn1cnc2c1ncnc2N)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O"                                                                                                                                                                                                                                                                                                                                                                       
COY SMILES           "OpenEye OEToolkits" 2.0.7 "Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=C(C8C(C(C9=CC1C(C(C2=C(C4[N-]5[Co+2](N12)(N89)(N76)CCCCCn1cnc2c1ncnc2N)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O"                                                                                                                                                                                                                                                                                                                                                                                                                                             
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
COY "Create component"  2000-02-16 RCSB 
COY "Modify descriptor" 2023-09-23 RCSB 
# 
