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                    2008-10-14 
_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        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   Y 
_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 -2.966  0.999  -0.264 CO   COY 1   
COY N21  N21  N  0  1 N N N 67.782 -7.594  215.229 -2.768  -0.446 -1.306 N21  COY 2   
COY N22  N22  N  0  1 N N N 66.395 -5.502  216.101 -4.671  1.044  -0.884 N22  COY 3   
COY N23  N23  N  0  1 N N N 65.447 -5.288  213.461 -3.004  2.782  -0.039 N23  COY 4   
COY N24  N24  N  -1 1 N N N 67.119 -7.232  212.880 -1.268  0.891  0.313  N24  COY 5   
COY C1   C1   C  0  1 N N R 68.181 -8.813  214.420 -1.419  -0.975 -1.212 C1   COY 6   
COY C20  C20  C  0  1 N N N 67.154 -9.890  214.453 -0.684  -0.475 -2.479 C20  COY 7   
COY C2   C2   C  0  1 N N S 69.538 -9.260  215.143 -1.583  -2.475 -1.405 C2   COY 8   
COY C25  C25  C  0  1 N N N 69.796 -10.746 215.094 -0.336  -3.063 -2.050 C25  COY 9   
COY C26  C26  C  0  1 N N N 70.753 -8.484  214.611 -1.913  -3.176 -0.097 C26  COY 10  
COY C27  C27  C  0  1 N N N 72.050 -8.950  215.307 -2.206  -4.630 -0.367 C27  COY 11  
COY O28  O28  O  0  1 N N N 72.252 -8.672  216.479 -2.154  -5.059 -1.500 O28  COY 12  
COY N29  N29  N  0  1 N N N 72.919 -9.666  214.610 -2.526  -5.453 0.651  N29  COY 13  
COY C3   C3   C  0  1 N N S 69.253 -8.773  216.610 -2.795  -2.546 -2.376 C3   COY 14  
COY C30  C30  C  0  1 N N N 68.646 -9.734  217.673 -2.350  -2.810 -3.805 C30  COY 15  
COY C31  C31  C  0  1 N N N 69.679 -10.465 218.471 -2.034  -4.297 -3.974 C31  COY 16  
COY C32  C32  C  0  1 N N N 69.097 -11.359 219.531 -1.687  -4.576 -5.414 C32  COY 17  
COY O34  O34  O  0  1 N N N 69.470 -12.496 219.750 -1.692  -3.675 -6.225 O34  COY 18  
COY N33  N33  N  0  1 N N N 68.157 -10.827 220.223 -1.370  -5.828 -5.800 N33  COY 19  
COY C4   C4   C  0  1 N N N 68.386 -7.533  216.377 -3.504  -1.229 -2.206 C4   COY 20  
COY C5   C5   C  0  1 N N N 68.160 -6.534  217.363 -4.660  -0.801 -2.637 C5   COY 21  
COY C35  C35  C  0  1 N N N 69.105 -6.533  218.532 -5.296  -1.504 -3.821 C35  COY 22  
COY C6   C6   C  0  1 N N S 67.045 -5.728  217.310 -5.333  0.425  -2.039 C6   COY 23  
COY C7   C7   C  0  1 N N S 66.712 -4.587  218.317 -6.672  -0.075 -1.387 C7   COY 24  
COY C36  C36  C  0  1 N N N 66.460 -5.010  219.760 -7.847  0.100  -2.348 C36  COY 25  
COY C37  C37  C  0  1 N N N 67.732 -3.427  218.252 -6.576  -1.519 -0.903 C37  COY 26  
COY C38  C38  C  0  1 N N N 67.526 -2.190  219.156 -7.882  -1.924 -0.270 C38  COY 27  
COY O39  O39  O  0  1 N N N 66.539 -2.061  219.836 -8.800  -1.133 -0.212 O39  COY 28  
COY N40  N40  N  0  1 N N N 68.532 -1.275  219.103 -8.031  -3.166 0.232  N40  COY 29  
COY C8   C8   C  0  1 N N S 65.393 -4.035  217.723 -6.864  0.852  -0.168 C8   COY 30  
COY C41  C41  C  0  1 N N N 64.149 -4.794  218.318 -8.145  1.668  -0.328 C41  COY 31  
COY C42  C42  C  0  1 N N N 62.794 -4.269  217.821 -8.474  2.363  0.995  C42  COY 32  
COY C43  C43  C  0  1 N N N 61.656 -5.225  217.708 -9.766  3.128  0.852  C43  COY 33  
COY O44  O44  O  0  1 N N N 61.742 -6.204  216.943 -10.363 3.117  -0.203 O44  COY 34  
COY N45  N45  N  0  1 N N N 60.584 -4.994  218.424 -10.256 3.823  1.898  N45  COY 35  
COY C9   C9   C  0  1 N N N 65.517 -4.482  216.266 -5.662  1.757  -0.196 C9   COY 36  
COY C10  C10  C  0  1 N N N 64.823 -3.820  215.260 -5.487  2.931  0.351  C10  COY 37  
COY C11  C11  C  0  1 N N S 64.816 -4.140  213.925 -4.203  3.609  0.100  C11  COY 38  
COY C12  C12  C  0  1 N N N 64.204 -3.357  212.760 -3.813  4.830  0.903  C12  COY 39  
COY C46  C46  C  0  1 N N N 65.369 -2.503  212.147 -4.724  5.998  0.574  C46  COY 40  
COY C47  C47  C  0  1 N N N 63.088 -2.435  213.167 -3.804  4.508  2.387  C47  COY 41  
COY C13  C13  C  0  1 N N S 63.913 -4.507  211.770 -2.377  5.049  0.358  C13  COY 42  
COY C48  C48  C  0  1 N N N 62.531 -5.173  211.853 -2.414  5.900  -0.908 C48  COY 43  
COY C49  C49  C  0  1 N N N 62.076 -5.798  213.229 -1.005  6.003  -1.495 C49  COY 44  
COY C50  C50  C  0  1 N N N 60.632 -6.044  213.392 -1.016  6.953  -2.665 C50  COY 45  
COY O51  O51  O  0  1 N N N 59.837 -6.056  212.432 -2.050  7.494  -2.997 O51  COY 46  
COY N52  N52  N  0  1 N N N 60.237 -6.272  214.659 0.122   7.201  -3.343 N52  COY 47  
COY C14  C14  C  0  1 N N N 64.993 -5.529  212.164 -1.903  3.643  0.046  C14  COY 48  
COY C15  C15  C  0  1 N N N 65.603 -6.357  211.244 -0.648  3.252  -0.123 C15  COY 49  
COY C53  C53  C  0  1 N N N 64.989 -6.281  209.864 0.448   4.285  -0.068 C53  COY 50  
COY C16  C16  C  0  1 N N S 66.697 -7.207  211.623 -0.401  1.818  -0.416 C16  COY 51  
COY C17  C17  C  0  1 N N R 67.617 -8.020  210.694 1.000   1.272  -0.166 C17  COY 52  
COY C54  C54  C  0  1 N N N 68.742 -7.043  210.236 1.539   1.677  1.202  C54  COY 53  
COY C55  C55  C  0  1 N N N 67.051 -8.809  209.518 1.962   1.655  -1.281 C55  COY 54  
COY C56  C56  C  0  1 N N N 65.903 -9.794  209.824 3.276   0.891  -1.106 C56  COY 55  
COY C57  C57  C  0  1 N N N 65.158 -10.235 208.603 4.186   1.181  -2.271 C57  COY 56  
COY O58  O58  O  0  1 N N N 64.926 -9.345  207.711 3.820   1.926  -3.156 O58  COY 57  
COY N59  N59  N  0  1 N N N 64.748 -11.477 208.446 5.407   0.613  -2.331 N59  COY 58  
COY C18  C18  C  0  1 N N R 68.240 -9.033  211.734 0.792   -0.266 -0.160 C18  COY 59  
COY C60  C60  C  0  1 N N N 69.594 -9.642  211.416 1.532   -0.840 1.063  C60  COY 60  
COY C61  C61  C  0  1 N N N 69.557 -11.161 211.411 1.444   -2.345 1.042  C61  COY 61  
COY O63  O63  O  0  1 N N N 68.498 -11.734 211.058 0.927   -2.909 0.102  O63  COY 62  
COY N62  N62  N  0  1 N N N 70.597 -11.886 211.753 1.940   -3.063 2.070  N62  COY 63  
COY C19  C19  C  0  1 N N R 68.301 -8.146  212.997 -0.730  -0.480 0.025  C19  COY 64  
COY C1P  C1P  C  0  1 N N N 63.982 -11.811 207.244 6.291   0.896  -3.464 C1P  COY 65  
COY C2P  C2P  C  0  1 N N R 62.480 -11.821 207.464 7.555   0.041  -3.351 C2P  COY 66  
COY C3P  C3P  C  0  1 N N N 61.666 -12.099 206.230 8.413   0.229  -4.603 C3P  COY 67  
COY O3   O3   O  0  1 N N N 62.285 -12.913 208.402 8.299   0.441  -2.198 O3   COY 68  
COY O4   O4   O  0  1 N N N 61.481 -13.812 210.566 7.208   -1.519 -0.828 O4   COY 69  
COY O5   O5   O  0  1 N N N 60.060 -12.113 209.317 9.291   -1.880 -2.208 O5   COY 70  
COY P    P    P  0  1 N N S 61.410 -12.626 209.684 8.597   -0.894 -1.350 P    COY 71  
COY O2   O2   O  0  1 N N N 62.304 -11.446 210.326 9.530   -0.531 -0.088 O2   COY 72  
COY C3R  C3R  C  0  1 N N S 61.866 -10.753 211.491 9.855   -1.766 0.554  C3R  COY 73  
COY C2R  C2R  C  0  1 N N R 62.761 -10.864 212.668 11.387  -1.959 0.611  C2R  COY 74  
COY O7R  O7R  O  0  1 N N N 64.110 -10.676 212.354 12.054  -0.852 0.004  O7R  COY 75  
COY C1R  C1R  C  0  1 N N S 62.262 -9.663  213.514 11.701  -2.021 2.123  C1R  COY 76  
COY O6R  O6R  O  0  1 N N N 61.760 -8.704  212.618 10.466  -2.447 2.739  O6R  COY 77  
COY C4R  C4R  C  0  1 N N R 61.782 -9.265  211.252 9.421   -1.735 2.036  C4R  COY 78  
COY C5R  C5R  C  0  1 N N N 60.542 -8.733  210.557 8.077   -2.443 2.220  C5R  COY 79  
COY O8R  O8R  O  0  1 N N N 59.347 -8.989  211.275 7.680   -2.362 3.591  O8R  COY 80  
COY N1B  N1B  N  0  1 Y N N 63.236 -9.027  214.351 12.090  -0.699 2.617  N1B  COY 81  
COY C8B  C8B  C  0  1 Y N N 63.408 -9.113  215.703 13.327  -0.103 2.472  C8B  COY 82  
COY C2B  C2B  C  0  1 Y N N 64.215 -8.213  213.897 11.303  0.168  3.310  C2B  COY 83  
COY N3B  N3B  N  0  1 Y N N 65.068 -7.774  214.814 11.968  1.249  3.592  N3B  COY 84  
COY C9B  C9B  C  0  1 Y N N 64.556 -8.357  215.997 13.229  1.151  3.099  C9B  COY 85  
COY C4B  C4B  C  0  1 Y N N 65.039 -8.346  217.323 14.338  2.001  3.114  C4B  COY 86  
COY C5B  C5B  C  0  1 Y N N 64.382 -9.028  218.335 15.503  1.610  2.515  C5B  COY 87  
COY C5M  C5M  C  0  1 N N N 64.905 -8.924  219.743 16.696  2.531  2.534  C5M  COY 88  
COY C6B  C6B  C  0  1 Y N N 63.224 -9.812  218.015 15.598  0.375  1.891  C6B  COY 89  
COY C6M  C6M  C  0  1 N N N 62.475 -10.549 219.093 16.893  -0.035 1.238  C6M  COY 90  
COY C7B  C7B  C  0  1 Y N N 62.759 -9.830  216.693 14.517  -0.480 1.865  C7B  COY 91  
COY C71  C71  C  0  1 N N N 68.502 -0.794  214.314 -7.581  -1.247 3.925  C71  COY 92  
COY C72  C72  C  0  1 N N N 69.697 -1.708  214.244 -7.100  -0.489 2.686  C72  COY 93  
COY C73  C73  C  0  1 N N N 69.413 -3.125  213.814 -5.571  -0.476 2.657  C73  COY 94  
COY C74  C74  C  0  1 N N N 68.205 -3.754  214.478 -5.090  0.282  1.418  C74  COY 95  
COY C75  C75  C  0  1 N N N 67.961 -5.150  213.924 -3.560  0.294  1.389  C75  COY 96  
COY N6A  N6A  N  0  1 N N N 65.075 1.346   209.798 -13.550 -2.202 3.364  N6A  COY 97  
COY C6A  C6A  C  0  1 Y N N 65.460 1.211   211.116 -12.234 -2.530 3.090  C6A  COY 98  
COY C5A  C5A  C  0  1 Y N N 66.598 0.482   211.506 -11.178 -1.773 3.624  C5A  COY 99  
COY N7A  N7A  N  0  1 Y N N 67.419 -0.413  210.820 -11.097 -0.685 4.428  N7A  COY 100 
COY C8A  C8A  C  0  1 Y N N 68.240 -0.848  211.741 -9.847  -0.381 4.622  C8A  COY 101 
COY N9A  N9A  N  0  1 Y N N 67.945 -0.389  213.005 -9.046  -1.259 3.953  N9A  COY 102 
COY C4A  C4A  C  0  1 Y N N 66.798 0.376   212.872 -9.863  -2.151 3.306  C4A  COY 103 
COY N3A  N3A  N  0  1 Y N N 66.113 0.967   213.879 -9.666  -3.208 2.525  N3A  COY 104 
COY C2A  C2A  C  0  1 Y N N 65.145 1.736   213.371 -10.686 -3.888 2.047  C2A  COY 105 
COY N1A  N1A  N  0  1 Y N N 64.778 1.856   212.080 -11.939 -3.568 2.314  N1A  COY 106 
COY H201 1H20 H  0  0 N N N 67.447 -10.786 213.858 -1.226  -0.803 -3.367 H201 COY 107 
COY H202 2H20 H  0  0 N N N 66.904 -10.171 215.502 -0.635  0.614  -2.465 H202 COY 108 
COY H203 3H20 H  0  0 N N N 66.159 -9.503  214.128 0.326   -0.884 -2.499 H203 COY 109 
COY H251 1H25 H  0  0 N N N 70.740 -11.057 215.597 -0.369  -2.893 -3.126 H251 COY 110 
COY H252 2H25 H  0  0 N N N 68.927 -11.308 215.508 0.550   -2.583 -1.634 H252 COY 111 
COY H253 3H25 H  0  0 N N N 69.773 -11.113 214.041 -0.295  -4.134 -1.852 H253 COY 112 
COY H261 1H26 H  0  0 N N N 70.832 -8.553  213.501 -1.065  -3.097 0.582  H261 COY 113 
COY H262 2H26 H  0  0 N N N 70.609 -7.381  214.700 -2.787  -2.708 0.355  H262 COY 114 
COY H291 1H29 H  0  0 N N N 72.750 -9.898  213.631 -2.568  -5.110 1.557  H291 COY 115 
COY H292 2H29 H  0  0 N N N 73.775 -9.973  215.069 -2.715  -6.388 0.477  H292 COY 116 
COY H3   H3   H  0  1 N N N 70.233 -8.624  217.119 -3.466  -3.352 -2.048 H3   COY 117 
COY H301 1H30 H  0  0 N N N 67.941 -9.188  218.343 -3.148  -2.528 -4.492 H301 COY 118 
COY H302 2H30 H  0  0 N N N 67.933 -10.448 217.199 -1.459  -2.222 -4.023 H302 COY 119 
COY H311 1H31 H  0  0 N N N 70.361 -11.039 217.801 -1.189  -4.564 -3.339 H311 COY 120 
COY H312 2H31 H  0  0 N N N 70.411 -9.751  218.915 -2.904  -4.889 -3.689 H312 COY 121 
COY H331 1H33 H  0  0 N N N 67.844 -9.873  220.039 -1.366  -6.550 -5.152 H331 COY 122 
COY H332 2H33 H  0  0 N N N 67.762 -11.433 220.942 -1.147  -6.008 -6.727 H332 COY 123 
COY H351 1H35 H  0  0 N N N 68.927 -5.749  219.305 -4.697  -2.373 -4.092 H351 COY 124 
COY H352 2H35 H  0  0 N N N 69.115 -7.540  219.010 -6.303  -1.826 -3.554 H352 COY 125 
COY H353 3H35 H  0  0 N N N 70.157 -6.472  218.167 -5.346  -0.819 -4.667 H353 COY 126 
COY H66  6H6  H  0  1 N N N 66.669 -6.630  217.847 -5.541  1.169  -2.808 H66  COY 127 
COY H361 1H36 H  0  0 N N N 66.221 -4.193  220.480 -7.906  1.142  -2.662 H361 COY 128 
COY H362 2H36 H  0  0 N N N 65.658 -5.784  219.790 -7.699  -0.536 -3.221 H362 COY 129 
COY H363 3H36 H  0  0 N N N 67.327 -5.601  220.135 -8.772  -0.182 -1.846 H363 COY 130 
COY H371 1H37 H  0  0 N N N 68.752 -3.837  218.434 -6.365  -2.172 -1.750 H371 COY 131 
COY H372 2H37 H  0  0 N N N 67.819 -3.086  217.193 -5.775  -1.604 -0.170 H372 COY 132 
COY H401 1H40 H  0  0 N N N 69.367 -1.384  218.527 -7.297  -3.799 0.186  H401 COY 133 
COY H402 2H40 H  0  0 N N N 68.396 -0.458  219.699 -8.871  -3.427 0.640  H402 COY 134 
COY H8   H8   H  0  1 N N N 65.255 -2.944  217.907 -6.886  0.275  0.749  H8   COY 135 
COY H411 1H41 H  0  0 N N N 64.234 -5.889  218.131 -8.003  2.418  -1.107 H411 COY 136 
COY H412 2H41 H  0  0 N N N 64.184 -4.787  219.432 -8.965  1.007  -0.605 H412 COY 137 
COY H421 1H42 H  0  0 N N N 62.482 -3.410  218.460 -8.579  1.616  1.782  H421 COY 138 
COY H422 2H42 H  0  0 N N N 62.940 -3.763  216.837 -7.671  3.053  1.253  H422 COY 139 
COY H451 1H45 H  0  0 N N N 60.513 -4.192  219.050 -9.778  3.831  2.742  H451 COY 140 
COY H452 2H45 H  0  0 N N N 59.805 -5.648  218.346 -11.087 4.314  1.806  H452 COY 141 
COY H10  H10  H  0  1 N N N 64.213 -2.948  215.552 -6.230  3.404  0.964  H10  COY 142 
COY H111 11H1 H  0  0 N N N 64.398 -3.566  214.785 -4.355  4.017  -0.940 H111 COY 143 
COY H461 1H46 H  0  0 N N N 64.923 -1.932  211.298 -4.763  6.136  -0.506 H461 COY 144 
COY H462 2H46 H  0  0 N N N 65.885 -1.855  212.894 -5.726  5.795  0.951  H462 COY 145 
COY H463 3H46 H  0  0 N N N 66.257 -3.109  211.855 -4.337  6.904  1.042  H463 COY 146 
COY H471 1H47 H  0  0 N N N 62.642 -1.864  212.318 -3.373  5.344  2.938  H471 COY 147 
COY H472 2H47 H  0  0 N N N 62.298 -2.994  213.721 -4.825  4.336  2.728  H472 COY 148 
COY H473 3H47 H  0  0 N N N 63.425 -1.741  213.971 -3.207  3.613  2.561  H473 COY 149 
COY H13  H13  H  0  1 N N N 63.923 -4.118  210.725 -1.749  5.507  1.114  H13  COY 150 
COY H481 1H48 H  0  0 N N N 61.757 -4.445  211.512 -3.078  5.437  -1.638 H481 COY 151 
COY H482 2H48 H  0  0 N N N 62.456 -5.952  211.059 -2.780  6.898  -0.665 H482 COY 152 
COY H491 1H49 H  0  0 N N N 62.641 -6.740  213.418 -0.320  6.375  -0.733 H491 COY 153 
COY H492 2H49 H  0  0 N N N 62.446 -5.166  214.069 -0.677  5.019  -1.830 H492 COY 154 
COY H521 1H52 H  0  0 N N N 60.887 -6.262  215.444 0.949   6.769  -3.078 H521 COY 155 
COY H522 2H52 H  0  0 N N N 59.237 -6.442  214.771 0.115   7.813  -4.096 H522 COY 156 
COY H531 1H53 H  0  0 N N N 65.481 -6.950  209.120 0.596   4.711  -1.060 H531 COY 157 
COY H532 2H53 H  0  0 N N N 63.892 -6.479  209.908 0.167   5.075  0.629  H532 COY 158 
COY H533 3H53 H  0  0 N N N 64.971 -5.228  209.497 1.372   3.816  0.269  H533 COY 159 
COY H116 16H1 H  0  0 N N N 65.740 -7.486  211.123 -0.606  1.720  -1.499 H116 COY 160 
COY H541 1H54 H  0  0 N N N 69.408 -7.631  209.563 1.603   2.764  1.261  H541 COY 161 
COY H542 2H54 H  0  0 N N N 68.354 -6.107  209.769 0.870   1.310  1.980  H542 COY 162 
COY H543 3H54 H  0  0 N N N 69.281 -6.559  211.083 2.531   1.247  1.344  H543 COY 163 
COY H551 1H55 H  0  0 N N N 66.732 -8.103  208.715 2.157   2.726  -1.241 H551 COY 164 
COY H552 2H55 H  0  0 N N N 67.877 -9.349  209.000 1.521   1.401  -2.245 H552 COY 165 
COY H561 1H56 H  0  0 N N N 66.278 -10.673 210.397 3.072   -0.179 -1.062 H561 COY 166 
COY H562 2H56 H  0  0 N N N 65.204 -9.365  210.580 3.759   1.206  -0.181 H562 COY 167 
COY H59  H59  H  0  1 N N N 65.002 -12.124 209.191 5.700   0.018  -1.624 H59  COY 168 
COY H18  H18  H  0  1 N N N 67.627 -9.962  211.791 1.214   -0.713 -1.043 H18  COY 169 
COY H601 1H60 H  0  0 N N N 69.997 -9.246  210.455 2.578   -0.537 1.029  H601 COY 170 
COY H602 2H60 H  0  0 N N N 70.379 -9.260  212.109 1.073   -0.462 1.976  H602 COY 171 
COY H621 1H62 H  0  0 N N N 71.457 -11.420 212.040 2.354   -2.611 2.822  H621 COY 172 
COY H622 2H62 H  0  0 N N N 70.572 -12.905 211.749 1.884   -4.031 2.057  H622 COY 173 
COY H119 19H1 H  0  0 N N N 69.326 -7.707  212.989 -0.915  -1.122 0.884  H119 COY 174 
COY H1P1 1H1P H  0  0 N N N 64.252 -11.131 206.402 6.565   1.951  -3.458 H1P1 COY 175 
COY H1P2 2H1P H  0  0 N N N 64.324 -12.782 206.815 5.776   0.660  -4.395 H1P2 COY 176 
COY H2P  H2P  H  0  1 N N N 62.140 -10.816 207.809 7.276   -1.009 -3.256 H2P  COY 177 
COY H3P1 1H3P H  0  0 N N N 60.562 -12.106 206.391 9.313   -0.380 -4.522 H3P1 COY 178 
COY H3P2 2H3P H  0  0 N N N 61.933 -11.380 205.420 7.845   -0.076 -5.482 H3P2 COY 179 
COY H3P3 3H3P H  0  0 N N N 61.994 -13.053 205.757 8.692   1.279  -4.698 H3P3 COY 180 
COY HOP5 5HOP H  0  0 N N N 59.533 -11.940 210.088 ?       ?      ?      HOP5 COY 181 
COY H3R  H3R  H  0  1 N N N 60.884 -11.239 211.700 9.383   -2.600 0.035  H3R  COY 182 
COY H2R  H2R  H  0  1 N N N 62.720 -11.868 213.151 11.672  -2.891 0.123  H2R  COY 183 
COY HOR7 7HOR H  0  0 N N N 64.683 -10.747 213.108 13.003  -1.027 0.069  HOR7 COY 184 
COY H1R  H1R  H  0  1 N N N 61.504 -10.077 214.218 12.491  -2.746 2.317  H1R  COY 185 
COY H4R  H4R  H  0  1 N N N 62.623 -8.988  210.574 9.359   -0.706 2.391  H4R  COY 186 
COY H5R1 1H5R H  0  0 N N N 60.646 -7.645  210.335 7.325   -1.962 1.595  H5R1 COY 187 
COY H5R2 2H5R H  0  0 N N N 60.471 -9.125  209.515 8.175   -3.489 1.932  H5R2 COY 188 
COY HOR8 8HOR H  0  0 N N N 58.570 -8.656  210.840 6.831   -2.819 3.663  HOR8 COY 189 
COY H2B  H2B  H  0  1 N N N 64.312 -7.923  212.837 10.275  -0.016 3.586  H2B  COY 190 
COY H4B  H4B  H  0  1 N N N 65.956 -7.788  217.575 14.275  2.965  3.597  H4B  COY 191 
COY HM51 1HM5 H  0  0 N N N 64.376 -9.472  220.557 17.296  2.330  3.422  HM51 COY 192 
COY HM52 2HM5 H  0  0 N N N 65.980 -9.219  219.749 17.300  2.362  1.642  HM52 COY 193 
COY HM53 3HM5 H  0  0 N N N 64.974 -7.846  220.021 16.356  3.566  2.552  HM53 COY 194 
COY HM61 1HM6 H  0  0 N N N 61.575 -11.158 218.844 17.517  -0.557 1.964  HM61 COY 195 
COY HM62 2HM6 H  0  0 N N N 63.198 -11.201 219.636 16.682  -0.697 0.398  HM62 COY 196 
COY HM63 3HM6 H  0  0 N N N 62.192 -9.816  219.884 17.416  0.851  0.879  HM63 COY 197 
COY H7B  H7B  H  0  1 N N N 61.865 -10.419 216.426 14.596  -1.440 1.377  H7B  COY 198 
COY H711 1H71 H  0  0 N N N 67.705 -1.250  214.946 -7.210  -2.271 3.891  H711 COY 199 
COY H712 2H71 H  0  0 N N N 68.742 0.107   214.924 -7.204  -0.754 4.821  H712 COY 200 
COY H721 1H72 H  0  0 N N N 70.479 -1.261  213.587 -7.471  0.536  2.720  H721 COY 201 
COY H722 2H72 H  0  0 N N N 70.233 -1.707  215.221 -7.477  -0.982 1.790  H722 COY 202 
COY H731 1H73 H  0  0 N N N 69.319 -3.182  212.704 -5.200  -1.501 2.623  H731 COY 203 
COY H732 2H73 H  0  0 N N N 70.314 -3.763  213.963 -5.194  0.017  3.553  H732 COY 204 
COY H741 1H74 H  0  0 N N N 68.297 -3.758  215.589 -5.461  1.306  1.452  H741 COY 205 
COY H742 2H74 H  0  0 N N N 67.300 -3.108  214.390 -5.467  -0.212 0.522  H742 COY 206 
COY H751 1H75 H  0  0 N N N 68.929 -5.692  214.023 -3.187  -0.723 1.505  H751 COY 207 
COY H752 2H75 H  0  0 N N N 67.845 -5.026  212.822 -3.187  0.914  2.204  H752 COY 208 
COY H6A1 1H6A H  0  0 N N N 64.249 1.874   209.515 -13.753 -1.442 3.931  H6A1 COY 209 
COY H6A2 2H6A H  0  0 N N N 64.986 0.408   209.406 -14.270 -2.733 2.989  H6A2 COY 210 
COY H8A  H8A  H  0  1 N N N 69.077 -1.518  211.483 -9.495  0.443  5.224  H8A  COY 211 
COY H2A  H2A  H  0  1 N N N 64.583 2.342   214.102 -10.491 -4.740 1.412  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                1.02b 
;InChI=1/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/f/h69,85H,63-68H2;11H2;/rC72H106CoN18O14P/c1-36-25-45-47(26-37(36)2)87(35-84-45)67-60(100)61(48(32-92)103-67)105-106(101,102)104-38(3)31-81-56(99)21-22-69(8)44(27-53(77)96)64-72(11)71(10,30-55(79)98)43(17-20-52(76)95)59-40(5)63-70(9,29-54(78)97)41(15-18-50(74)93)46-28-49-68(6,7)42(16-19-51(75)94)58-39(4)62(69)90(64)73(88(46)63,89(49)58,91(59)72)23-13-12-14-24-86-34-85-57-65(80)82-33-83-66(57)86/h25-26,28,33-35,38,41-44,48-49,60-64,67,92,100H,12-24,27,29-32H2,1-11H3,(H2,74,93)(H2,75,94)(H2,76,95)(H2,77,96)(H2,78,97)(H2,79,98)(H,81,99)(H,101,102)(H2,80,82,83)/q+1/t38-,41-,42-,43-,44+,48-,49+,60-,61-,62+,63+,64-,67+,69-,70+,71+,72+/m1/s1/f/h81,101H,74-80H2
;
COY InChIKey         InChI                1.02b KWGNLVVAVJCVFN-AFACOYQJDT 
COY SMILES_CANONICAL CACTVS               3.341 
;C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2[N-]|3[C@H]1C(=C4[C@@H](CCC(N)=O)C(C)(C)[C@@H]5C=C6[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@H]7N6[Co++]|3(CCCCCn8cnc9c(N)ncnc89)(N45)N%10C(=C7C)[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]2%10C)C)O[P@@](O)(=O)O[C@H]%11[C@@H](O)[C@H](O[C@@H]%11CO)n%12cnc%13cc(C)c(C)cc%12%13
;
COY SMILES           CACTVS               3.341 
;C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N-]|3[CH]1C(=C4[CH](CCC(N)=O)C(C)(C)[CH]5C=C6[CH](CCC(N)=O)[C](C)(CC(N)=O)[CH]7N6[Co++]|3(CCCCCn8cnc9c(N)ncnc89)(N45)N%10C(=C7C)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]2%10C)C)O[P](O)(=O)O[CH]%11[CH](O)[CH](O[CH]%11CO)n%12cnc%13cc(C)c(C)cc%12%13
;
COY SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 
;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](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
;
COY SMILES           "OpenEye OEToolkits" 1.5.0 
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 
# 
