data_A1BI7
# 
_chem_comp.id                                    A1BI7 
_chem_comp.name                                  "naphthalen-2-yl 3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5-[3-[[(2~{R})-2-[[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxypropyl]amino]-3-oxidanylidene-propyl]-5,7,10,10,15,17,20,21-octamethyl-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-1-yl]prop-2-ynoate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C75 H96 Co N13 O16 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    2 
_chem_comp.pdbx_initial_date                     2024-12-05 
_chem_comp.pdbx_modified_date                    2025-09-19 
_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                        1525.549 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1BI7 
_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        9ELR 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              ? 
# 
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.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
A1BI7 C4   C1  C  0 1 N N N N N N 13.573 4.427  33.773 1.611   -1.917 1.346  C4   A1BI7 1   
A1BI7 C3   C2  C  0 1 N N S N N N 13.608 5.400  34.951 0.660   -2.975 0.882  C3   A1BI7 2   
A1BI7 C2   C3  C  0 1 N N S N N N 12.097 5.697  35.093 0.294   -2.540 -0.554 C2   A1BI7 3   
A1BI7 C1   C4  C  0 1 Y N N N N N 14.662 -6.819 36.650 10.738  -6.658 -2.201 C1   A1BI7 4   
A1BI7 C    C5  C  0 1 Y N N N N N 13.978 -5.973 35.773 9.688   -6.007 -1.629 C    A1BI7 5   
A1BI7 NB1  N1  N  0 1 Y N N N N N 11.192 5.449  28.391 -9.452  -2.261 0.473  NB1  A1BI7 6   
A1BI7 CB2  C6  C  0 1 Y N N N N N 10.816 4.641  29.411 -9.040  -2.880 -0.666 CB2  A1BI7 7   
A1BI7 NB3  N2  N  0 1 Y N N N N N 11.805 4.465  30.258 -10.067 -3.322 -1.332 NB3  A1BI7 8   
A1BI7 C01  C7  C  0 1 N N N N N N 12.481 -0.131 35.009 6.453   -1.428 -1.580 C01  A1BI7 9   
A1BI7 C02  C8  C  0 1 Y N N N N N 13.977 -1.873 36.516 9.438   -1.849 -2.013 C02  A1BI7 10  
A1BI7 C03  C9  C  0 1 Y N N N N N 14.651 -2.720 37.386 10.485  -2.503 -2.583 C03  A1BI7 11  
A1BI7 C04  C10 C  0 1 Y N N N N N 14.647 -4.082 37.114 10.584  -3.900 -2.464 C04  A1BI7 12  
A1BI7 C05  C11 C  0 1 Y N N N N N 13.970 -4.593 35.991 9.587   -4.610 -1.748 C05  A1BI7 13  
A1BI7 C06  C12 C  0 1 Y N N N N N 13.286 -3.751 35.116 8.518   -3.905 -1.171 C06  A1BI7 14  
A1BI7 C07  C13 C  0 1 Y N N N N N 13.307 -2.380 35.400 8.453   -2.548 -1.307 C07  A1BI7 15  
A1BI7 C10  C14 C  0 1 N N N N N N 12.848 0.900  29.961 4.331   2.600  1.983  C10  A1BI7 16  
A1BI7 C11  C15 C  0 1 N N R N N N 11.442 5.385  33.692 0.661   -1.050 -0.536 C11  A1BI7 17  
A1BI7 C12  C16 C  0 1 Y N N N N N 15.337 -6.315 37.760 11.717  -5.960 -2.905 C12  A1BI7 18  
A1BI7 C13  C17 C  0 1 Y N N N N N 15.340 -4.949 38.008 11.650  -4.607 -3.045 C13  A1BI7 19  
A1BI7 C14  C18 C  0 1 N N N N N N 11.458 0.992  30.056 3.960   2.993  0.706  C14  A1BI7 20  
A1BI7 C15  C19 C  0 1 N N N N N N 10.534 0.027  29.336 4.321   4.377  0.205  C15  A1BI7 21  
A1BI7 C16  C20 C  0 1 N N S N N N 9.180  0.791  29.413 3.592   4.446  -1.129 C16  A1BI7 22  
A1BI7 C17  C21 C  0 1 N N N N N N 9.406  1.740  30.602 2.964   3.062  -1.234 C17  A1BI7 23  
A1BI7 C18  C22 C  0 1 N N N N N N 8.416  2.507  31.210 2.165   2.832  -2.322 C18  A1BI7 24  
A1BI7 C19  C23 C  0 1 N N N N N N 8.743  3.462  32.254 1.632   1.544  -2.441 C19  A1BI7 25  
A1BI7 C1A  C24 C  0 1 N N R N N N 7.759  4.278  33.162 0.841   0.941  -3.564 C1A  A1BI7 26  
A1BI7 C1B  C25 C  0 1 N N R N N N 8.733  5.377  33.654 0.284   -0.364 -2.956 C1B  A1BI7 27  
A1BI7 C1C  C26 C  0 1 N N R N N N 10.072 4.629  33.735 1.302   -0.610 -1.838 C1C  A1BI7 28  
A1BI7 C1L  C27 C  0 1 N N N N N N 11.794 1.884  33.373 4.322   -0.280 -0.615 C1L  A1BI7 29  
A1BI7 C20  C28 C  0 1 N N N N N N 11.331 6.565  32.730 -0.536  -0.186 -0.162 C20  A1BI7 30  
A1BI7 C25  C29 C  0 1 N N N N N N 11.744 7.076  35.652 -1.195  -2.727 -0.817 C25  A1BI7 31  
A1BI7 C26  C30 C  0 1 N N N N N N 11.676 4.574  36.060 1.131   -3.290 -1.582 C26  A1BI7 32  
A1BI7 C27  C31 C  0 1 N N N N N N 12.537 4.439  37.294 0.765   -4.752 -1.558 C27  A1BI7 33  
A1BI7 C2L  C32 C  0 1 N N N N N N 12.029 1.041  34.179 5.282   -0.798 -1.050 C2L  A1BI7 34  
A1BI7 C30  C33 C  0 1 N N N N N N 14.705 6.519  34.955 -0.586  -2.978 1.767  C30  A1BI7 35  
A1BI7 C31  C34 C  0 1 N N N N N N 14.761 7.643  33.943 -0.212  -3.455 3.172  C31  A1BI7 36  
A1BI7 C32  C35 C  0 1 N N N N N N 15.939 8.582  34.229 -1.464  -3.628 3.993  C32  A1BI7 37  
A1BI7 C35  C36 C  0 1 N N N N N N 15.730 3.402  34.632 2.210   -2.810 3.592  C35  A1BI7 38  
A1BI7 C36  C37 C  0 1 N N N N N N 17.113 1.683  32.118 2.680   -0.440 5.157  C36  A1BI7 39  
A1BI7 C37  C38 C  0 1 N N N N N N 15.139 0.211  32.926 4.767   -1.452 4.200  C37  A1BI7 40  
A1BI7 C38  C39 C  0 1 N N N N N N 16.042 -0.962 32.611 5.603   -1.114 5.407  C38  A1BI7 41  
A1BI7 C41  C40 C  0 1 N N N N N N 15.984 2.331  29.681 3.687   1.954  4.907  C41  A1BI7 42  
A1BI7 C42  C41 C  0 1 N N N N N N 15.316 2.386  28.335 4.287   3.349  4.719  C42  A1BI7 43  
A1BI7 C43  C42 C  0 1 N N N N N N 15.980 3.358  27.433 3.785   4.262  5.807  C43  A1BI7 44  
A1BI7 C46  C43 C  0 1 N N N N N N 10.409 -1.230 30.228 5.828   4.506  0.021  C46  A1BI7 45  
A1BI7 C47  C44 C  0 1 N N N N N N 11.073 -0.397 27.957 3.800   5.439  1.169  C47  A1BI7 46  
A1BI7 C48  C45 C  0 1 N N N N N N 8.795  1.578  28.127 2.495   5.509  -1.091 C48  A1BI7 47  
A1BI7 C49  C46 C  0 1 N N N N N N 7.952  0.831  27.072 3.069   6.852  -1.548 C49  A1BI7 48  
A1BI7 C5   C47 C  0 1 N N N N N N 14.675 3.505  33.530 2.270   -1.774 2.511  C5   A1BI7 49  
A1BI7 C50  C48 C  0 1 N N N N N N 7.098  -0.257 27.666 2.032   7.930  -1.367 C50  A1BI7 50  
A1BI7 C53  C49 C  0 1 N N N N N N 6.982  2.020  31.063 1.880   3.906  -3.330 C53  A1BI7 51  
A1BI7 C54  C50 C  0 1 N N N N N N 7.267  3.394  34.344 1.753   0.636  -4.749 C54  A1BI7 52  
A1BI7 C55  C51 C  0 1 N N N N N N 6.547  4.976  32.509 -0.291  1.874  -3.985 C55  A1BI7 53  
A1BI7 C56  C52 C  0 1 N N N N N N 6.956  5.771  31.273 -1.222  2.115  -2.795 C56  A1BI7 54  
A1BI7 C57  C53 C  0 1 N N N N N N 5.726  6.050  30.429 -2.269  3.131  -3.174 C57  A1BI7 55  
A1BI7 C6   C54 C  0 1 N N N N N N 14.585 2.580  32.521 2.987   -0.572 2.675  C6   A1BI7 56  
A1BI7 C60  C55 C  0 1 N N N N N N 8.305  6.135  34.927 0.337   -1.496 -3.982 C60  A1BI7 57  
A1BI7 C61  C56 C  0 1 N N N N N N 8.281  7.654  34.736 -0.562  -1.163 -5.144 C61  A1BI7 58  
A1BI7 C7   C57 C  0 1 N N S N N N 15.593 1.478  32.125 3.688   -0.391 4.015  C7   A1BI7 59  
A1BI7 C8   C58 C  0 1 N N S N N N 15.259 1.340  30.638 4.304   0.994  3.894  C8   A1BI7 60  
A1BI7 C9   C59 C  0 1 N N N N N N 13.779 1.653  30.657 3.917   1.394  2.486  C9   A1BI7 61  
A1BI7 CB4  C60 C  0 1 Y N N N N N 14.163 5.359  30.316 -12.564 -3.248 -0.917 CB4  A1BI7 62  
A1BI7 CB5  C61 C  0 1 Y N N N N N 15.059 6.158  29.591 -13.506 -2.807 -0.031 CB5  A1BI7 63  
A1BI7 CB6  C62 C  0 1 Y N N N N N 14.675 6.791  28.393 -13.133 -2.130 1.121  CB6  A1BI7 64  
A1BI7 CB7  C63 C  0 1 Y N N N N N 13.392 6.624  27.883 -11.802 -1.892 1.391  CB7  A1BI7 65  
A1BI7 CB8  C64 C  0 1 Y N N N N N 12.507 5.818  28.622 -10.830 -2.333 0.503  CB8  A1BI7 66  
A1BI7 CB9  C65 C  0 1 Y N N N N N 12.882 5.193  29.799 -11.209 -3.018 -0.664 CB9  A1BI7 67  
A1BI7 CR1  C66 C  0 1 N N S N N N 10.334 5.870  27.311 -8.592  -1.640 1.484  CR1  A1BI7 68  
A1BI7 CR2  C67 C  0 1 N N R N N N 9.581  7.119  27.791 -8.467  -0.129 1.208  CR2  A1BI7 69  
A1BI7 CR3  C68 C  0 1 N N S N N N 8.247  6.987  27.078 -6.960  0.081  0.925  CR3  A1BI7 70  
A1BI7 CR4  C69 C  0 1 N N R N N N 8.042  5.475  26.944 -6.500  -1.347 0.535  CR4  A1BI7 71  
A1BI7 CR5  C70 C  0 1 N N N N N N 7.582  5.022  25.599 -5.002  -1.520 0.795  CR5  A1BI7 72  
A1BI7 N21  N3  N  0 1 N N N N N N 12.412 4.375  33.175 1.747   -0.904 0.432  N21  A1BI7 73  
A1BI7 N22  N4  N  0 1 N N N N N N 13.505 2.539  31.631 3.210   0.445  1.851  N22  A1BI7 74  
A1BI7 N23  N5  N  0 1 N N N N N N 10.789 1.865  30.821 3.268   2.292  -0.182 N23  A1BI7 75  
A1BI7 N24  N6  N  0 1 N N N N N N 9.987  3.797  32.522 1.880   0.687  -1.480 N24  A1BI7 76  
A1BI7 N29  N7  N  0 1 N N N N N N 12.974 3.218  37.533 1.382   -5.615 -2.389 N29  A1BI7 77  
A1BI7 N34  N8  N  0 1 N N N N N N 15.597 9.770  34.757 -1.378  -4.045 5.272  N34  A1BI7 78  
A1BI7 N40  N9  N  0 1 N N N N N N 16.832 -1.425 33.568 6.564   -1.964 5.822  N40  A1BI7 79  
A1BI7 N45  N10 N  0 1 N N N N N N 17.252 3.595  27.668 4.183   5.549  5.843  N45  A1BI7 80  
A1BI7 N52  N11 N  0 1 N N N N N N 7.608  -1.486 27.662 2.349   9.217  -1.608 N52  A1BI7 81  
A1BI7 N59  N12 N  0 1 N N N N N N 5.136  7.225  30.513 -3.256  3.437  -2.309 N59  A1BI7 82  
A1BI7 N63  N13 N  0 1 N N N N N N 8.248  8.416  35.820 -0.480  -1.876 -6.285 N63  A1BI7 83  
A1BI7 O01  O1  O  0 1 N N N N N N 12.467 0.377  36.354 6.577   -1.568 -2.781 O01  A1BI7 84  
A1BI7 O02  O2  O  0 1 N N N N N N 12.604 -1.498 34.548 7.419   -1.867 -0.747 O02  A1BI7 85  
A1BI7 O28  O3  O  0 1 N N N N N N 12.791 5.401  38.065 -0.085  -5.152 -0.790 O28  A1BI7 86  
A1BI7 O33  O4  O  0 1 N N N N N N 17.099 8.288  33.986 -2.548  -3.394 3.503  O33  A1BI7 87  
A1BI7 O39  O5  O  0 1 N N N N N N 16.065 -1.481 31.467 5.412   -0.077 6.006  O39  A1BI7 88  
A1BI7 O44  O6  O  0 1 N N N N N N 15.333 3.896  26.513 3.023   3.839  6.650  O44  A1BI7 89  
A1BI7 O51  O7  O  0 1 N N N N N N 5.977  0.021  28.136 0.912   7.639  -1.005 O51  A1BI7 90  
A1BI7 O58  O8  O  0 1 N N N N N N 5.247  5.183  29.692 -2.223  3.673  -4.258 O58  A1BI7 91  
A1BI7 O62  O9  O  0 1 N N N N N N 8.326  8.192  33.619 -1.358  -0.253 -5.054 O62  A1BI7 92  
A1BI7 OP2  O10 O  0 1 N N N N N N 7.172  7.562  27.842 -6.767  0.992  -0.159 OP2  A1BI7 93  
A1BI7 OP3  O11 O  0 1 N N N N N N 5.241  8.981  28.323 -6.002  3.177  -1.406 OP3  A1BI7 94  
A1BI7 OP4  O12 O  0 1 N N N N N N 5.997  8.790  25.977 -4.722  2.277  0.575  OP4  A1BI7 95  
A1BI7 OP5  O13 O  0 1 N N N N N N 7.321  10.143 27.676 -6.972  3.327  1.034  OP5  A1BI7 96  
A1BI7 OR6  O14 O  0 1 N N N N N N 9.348  4.877  27.117 -7.270  -2.199 1.410  OR6  A1BI7 97  
A1BI7 OR7  O15 O  0 1 N N N N N N 9.300  7.064  29.197 -9.246  0.237  0.068  OR7  A1BI7 98  
A1BI7 OR8  O16 O  0 1 N N N N N N 6.757  3.850  25.613 -4.587  -2.811 0.343  OR8  A1BI7 99  
A1BI7 P1   P1  P  0 1 N N N N N N 6.492  8.957  27.348 -6.086  2.440  0.023  P1   A1BI7 100 
A1BI7 CB10 C71 C  0 0 N N N N N N 16.465 6.358  30.094 -14.966 -3.057 -0.309 CB10 A1BI7 101 
A1BI7 CB11 C72 C  0 0 N N N N N N 15.676 7.650  27.639 -14.189 -1.651 2.084  CB11 A1BI7 102 
A1BI7 CO1  CO1 CO 2 0 N N N N N N 11.686 3.103  31.995 2.781   0.550  0.084  CO1  A1BI7 103 
A1BI7 CPR1 C73 C  0 0 N N N N N N 3.954  7.507  29.703 -4.337  4.336  -2.719 CPR1 A1BI7 104 
A1BI7 CPR2 C74 C  0 0 N N R N N N 4.290  7.860  28.251 -5.366  4.443  -1.592 CPR2 A1BI7 105 
A1BI7 CPR3 C75 C  0 0 N N N N N N 3.071  8.264  27.455 -6.417  5.493  -1.960 CPR3 A1BI7 106 
A1BI7 H2   H2  H  0 1 N N N N N N 13.851 4.776  35.823 1.136   -3.947 0.885  H2   A1BI7 107 
A1BI7 H3   H3  H  0 1 N N N N N N 14.668 -7.883 36.464 10.815  -7.731 -2.105 H3   A1BI7 108 
A1BI7 H4   H4  H  0 1 N N N N N N 13.454 -6.387 34.924 8.936   -6.561 -1.087 H4   A1BI7 109 
A1BI7 H5   H5  H  0 1 N N N N N N 9.835  4.201  29.514 -8.010  -2.988 -0.974 H5   A1BI7 110 
A1BI7 H6   H6  H  0 1 N N N N N N 13.971 -0.810 36.704 9.365   -0.776 -2.107 H6   A1BI7 111 
A1BI7 H7   H7  H  0 1 N N N N N N 15.165 -2.330 38.252 11.238  -1.951 -3.126 H7   A1BI7 112 
A1BI7 H8   H8  H  0 1 N N N N N N 12.762 -4.140 34.255 7.752   -4.433 -0.623 H8   A1BI7 113 
A1BI7 H9   H9  H  0 1 N N N N N N 13.238 0.165  29.273 4.946   3.254  2.587  H9   A1BI7 114 
A1BI7 H10  H10 H  0 1 N N N N N N 15.857 -6.986 38.427 12.542  -6.500 -3.345 H10  A1BI7 115 
A1BI7 H11  H11 H  0 1 N N N N N N 15.860 -4.549 38.866 12.416  -4.080 -3.593 H11  A1BI7 116 
A1BI7 H12  H12 H  0 1 N N N N N N 8.376  0.081  29.658 4.272   4.622  -1.952 H12  A1BI7 117 
A1BI7 H14  H14 H  0 1 N N N N N N 8.820  6.119  32.846 -0.714  -0.231 -2.570 H14  A1BI7 118 
A1BI7 H15  H15 H  0 1 N N N N N N 10.061 3.983  34.625 2.076   -1.302 -2.160 H15  A1BI7 119 
A1BI7 H16  H16 H  0 1 N N N N N N 10.613 7.297  33.128 -1.289  -0.249 -0.947 H16  A1BI7 120 
A1BI7 H17  H17 H  0 1 N N N N N N 12.316 7.041  32.619 -0.960  -0.541 0.777  H17  A1BI7 121 
A1BI7 H18  H18 H  0 1 N N N N N N 10.984 6.207  31.749 -0.215  0.849  -0.047 H18  A1BI7 122 
A1BI7 H19  H19 H  0 1 N N N N N N 12.237 7.215  36.625 -1.765  -2.067 -0.162 H19  A1BI7 123 
A1BI7 H20  H20 H  0 1 N N N N N N 12.087 7.853  34.953 -1.414  -2.484 -1.856 H20  A1BI7 124 
A1BI7 H21  H21 H  0 1 N N N N N N 10.654 7.152  35.779 -1.472  -3.762 -0.619 H21  A1BI7 125 
A1BI7 H22  H22 H  0 1 N N N N N N 10.644 4.772  36.384 0.938   -2.884 -2.575 H22  A1BI7 126 
A1BI7 H23  H23 H  0 1 N N N N N N 11.712 3.621  35.512 2.188   -3.177 -1.342 H23  A1BI7 127 
A1BI7 H24  H24 H  0 1 N N N N N N 15.668 5.994  34.874 -0.995  -1.969 1.823  H24  A1BI7 128 
A1BI7 H25  H25 H  0 1 N N N N N N 14.634 7.005  35.939 -1.332  -3.649 1.342  H25  A1BI7 129 
A1BI7 H26  H26 H  0 1 N N N N N N 13.824 8.217  33.991 0.313   -4.408 3.105  H26  A1BI7 130 
A1BI7 H27  H27 H  0 1 N N N N N N 14.878 7.215  32.936 0.434   -2.717 3.647  H27  A1BI7 131 
A1BI7 H28  H28 H  0 1 N N N N N N 15.616 4.245  35.329 1.654   -3.677 3.235  H28  A1BI7 132 
A1BI7 H29  H29 H  0 1 N N N N N N 15.599 2.456  35.177 3.222   -3.114 3.861  H29  A1BI7 133 
A1BI7 H30  H30 H  0 1 N N N N N N 16.734 3.430  34.182 1.711   -2.394 4.468  H30  A1BI7 134 
A1BI7 H31  H31 H  0 1 N N N N N N 17.473 1.796  33.151 2.413   -1.477 5.362  H31  A1BI7 135 
A1BI7 H32  H32 H  0 1 N N N N N N 17.598 0.812  31.654 3.119   0.005  6.050  H32  A1BI7 136 
A1BI7 H33  H33 H  0 1 N N N N N N 17.358 2.588  31.543 1.785   0.116  4.877  H33  A1BI7 137 
A1BI7 H34  H34 H  0 1 N N N N N N 15.187 0.427  34.004 5.403   -1.482 3.315  H34  A1BI7 138 
A1BI7 H35  H35 H  0 1 N N N N N N 14.105 -0.042 32.649 4.299   -2.426 4.344  H35  A1BI7 139 
A1BI7 H36  H36 H  0 1 N N N N N N 17.026 2.003  29.550 3.897   1.601  5.917  H36  A1BI7 140 
A1BI7 H37  H37 H  0 1 N N N N N N 15.969 3.336  30.129 2.609   1.998  4.755  H37  A1BI7 141 
A1BI7 H38  H38 H  0 1 N N N N N N 14.266 2.685  28.470 5.374   3.287  4.769  H38  A1BI7 142 
A1BI7 H39  H39 H  0 1 N N N N N N 15.357 1.387  27.875 3.990   3.744  3.747  H39  A1BI7 143 
A1BI7 H40  H40 H  0 1 N N N N N N 10.025 -0.941 31.217 6.056   5.463  -0.450 H40  A1BI7 144 
A1BI7 H41  H41 H  0 1 N N N N N N 9.716  -1.944 29.760 6.319   4.453  0.993  H41  A1BI7 145 
A1BI7 H42  H42 H  0 1 N N N N N N 11.398 -1.699 30.341 6.187   3.695  -0.613 H42  A1BI7 146 
A1BI7 H43  H43 H  0 1 N N N N N N 12.032 -0.922 28.083 2.744   5.260  1.371  H43  A1BI7 147 
A1BI7 H44  H44 H  0 1 N N N N N N 10.349 -1.068 27.471 4.362   5.390  2.102  H44  A1BI7 148 
A1BI7 H45  H45 H  0 1 N N N N N N 11.223 0.496  27.332 3.923   6.426  0.723  H45  A1BI7 149 
A1BI7 H46  H46 H  0 1 N N N N N N 9.729  1.895  27.641 1.682   5.217  -1.756 H46  A1BI7 150 
A1BI7 H47  H47 H  0 1 N N N N N N 8.225  2.465  28.440 2.115   5.604  -0.073 H47  A1BI7 151 
A1BI7 H48  H48 H  0 1 N N N N N N 8.632  0.380  26.335 3.950   7.091  -0.952 H48  A1BI7 152 
A1BI7 H49  H49 H  0 1 N N N N N N 7.296  1.557  26.569 3.348   6.788  -2.600 H49  A1BI7 153 
A1BI7 H50  H50 H  0 1 N N N N N N 6.304  2.711  31.586 2.473   4.790  -3.096 H50  A1BI7 154 
A1BI7 H51  H51 H  0 1 N N N N N N 6.715  1.982  29.996 2.139   3.548  -4.326 H51  A1BI7 155 
A1BI7 H52  H52 H  0 1 N N N N N N 6.890  1.015  31.500 0.820   4.161  -3.300 H52  A1BI7 156 
A1BI7 H53  H53 H  0 1 N N N N N N 6.578  3.975  34.975 2.542   -0.047 -4.434 H53  A1BI7 157 
A1BI7 H54  H54 H  0 1 N N N N N N 6.745  2.510  33.948 1.171   0.176  -5.547 H54  A1BI7 158 
A1BI7 H55  H55 H  0 1 N N N N N N 8.130  3.072  34.945 2.199   1.562  -5.112 H55  A1BI7 159 
A1BI7 H56  H56 H  0 1 N N N N N N 6.093  5.661  33.240 0.126   2.824  -4.319 H56  A1BI7 160 
A1BI7 H57  H57 H  0 1 N N N N N N 5.811  4.213  32.215 -0.854  1.417  -4.799 H57  A1BI7 161 
A1BI7 H58  H58 H  0 1 N N N N N N 7.681  5.189  30.685 -1.707  1.180  -2.518 H58  A1BI7 162 
A1BI7 H59  H59 H  0 1 N N N N N N 7.413  6.722  31.582 -0.643  2.488  -1.950 H59  A1BI7 163 
A1BI7 H60  H60 H  0 1 N N N N N N 7.296  5.801  35.212 1.361   -1.617 -4.337 H60  A1BI7 164 
A1BI7 H61  H61 H  0 1 N N N N N N 9.013  5.894  35.734 0.002   -2.423 -3.517 H61  A1BI7 165 
A1BI7 H62  H62 H  0 1 N N N N N N 15.429 0.306  30.304 5.381   0.956  3.998  H62  A1BI7 166 
A1BI7 H64  H64 H  0 1 N N N N N N 14.457 4.889  31.243 -12.866 -3.773 -1.811 H64  A1BI7 167 
A1BI7 H65  H65 H  0 1 N N N N N N 13.088 7.093  26.959 -11.517 -1.364 2.289  H65  A1BI7 168 
A1BI7 H66  H66 H  0 1 N N N N N N 10.901 6.087  26.393 -9.011  -1.803 2.477  H66  A1BI7 169 
A1BI7 H67  H67 H  0 1 N N N N N N 10.106 8.039  27.496 -8.777  0.445  2.081  H67  A1BI7 170 
A1BI7 H68  H68 H  0 1 N N N N N N 8.310  7.443  26.079 -6.441  0.427  1.819  H68  A1BI7 171 
A1BI7 H69  H69 H  0 1 N N N N N N 7.346  5.126  27.721 -6.736  -1.555 -0.508 H69  A1BI7 172 
A1BI7 H70  H70 H  0 1 N N N N N N 8.471  4.809  24.987 -4.449  -0.751 0.256  H70  A1BI7 173 
A1BI7 H71  H71 H  0 1 N N N N N N 7.008  5.840  25.139 -4.806  -1.429 1.863  H71  A1BI7 174 
A1BI7 H72  H72 H  0 1 N N N N N N 13.525 3.035  38.347 2.061   -5.296 -3.003 H72  A1BI7 175 
A1BI7 H73  H73 H  0 1 N N N N N N 12.754 2.476  36.900 1.146   -6.556 -2.373 H73  A1BI7 176 
A1BI7 H74  H74 H  0 1 N N N N N N 16.303 10.447 34.964 -0.511  -4.233 5.664  H74  A1BI7 177 
A1BI7 H75  H75 H  0 1 N N N N N N 14.636 9.977  34.943 -2.184  -4.156 5.801  H75  A1BI7 178 
A1BI7 H76  H76 H  0 1 N N N N N N 17.449 -2.190 33.381 6.717   -2.793 5.343  H76  A1BI7 179 
A1BI7 H77  H77 H  0 1 N N N N N N 16.812 -1.010 34.478 7.102   -1.746 6.599  H77  A1BI7 180 
A1BI7 H78  H78 H  0 1 N N N N N N 17.755 4.239  27.092 4.793   5.888  5.169  H78  A1BI7 181 
A1BI7 H79  H79 H  0 1 N N N N N N 17.716 3.131  28.423 3.860   6.138  6.544  H79  A1BI7 182 
A1BI7 H80  H80 H  0 1 N N N N N N 7.086  -2.245 28.050 3.222   9.443  -1.966 H80  A1BI7 183 
A1BI7 H81  H81 H  0 1 N N N N N N 8.514  -1.650 27.271 1.705   9.918  -1.422 H81  A1BI7 184 
A1BI7 H82  H82 H  0 1 N N N N N N 5.497  7.923  31.131 -3.250  3.062  -1.414 H82  A1BI7 185 
A1BI7 H83  H83 H  0 1 N N N N N N 8.259  9.412  35.732 0.157   -2.604 -6.358 H83  A1BI7 186 
A1BI7 H84  H84 H  0 1 N N N N N N 8.212  7.995  36.726 -1.059  -1.661 -7.034 H84  A1BI7 187 
A1BI7 H85  H85 H  0 1 N N N N N N 7.431  10.678 26.899 -7.879  3.474  0.735  H85  A1BI7 188 
A1BI7 H86  H86 H  0 1 N N N N N N 10.111 7.143  29.686 -10.194 0.071  0.169  H86  A1BI7 189 
A1BI7 H87  H87 H  0 1 N N N N N N 6.507  3.627  24.724 -3.635  -2.964 0.412  H87  A1BI7 190 
A1BI7 H13  H13 H  0 1 N N N N N N 3.415  8.354  30.153 -3.928  5.323  -2.932 H13  A1BI7 191 
A1BI7 H1   H1  H  0 1 N N N N N N 3.307  6.617  29.706 -4.818  3.941  -3.614 H1   A1BI7 192 
A1BI7 H63  H63 H  0 1 N N N N N N 4.768  6.993  27.771 -4.866  4.738  -0.670 H63  A1BI7 193 
A1BI7 H90  H90 H  0 1 N N N N N N 2.367  7.420  27.407 -6.918  5.198  -2.882 H90  A1BI7 194 
A1BI7 H88  H88 H  0 1 N N N N N N 2.583  9.121  27.942 -7.150  5.569  -1.157 H88  A1BI7 195 
A1BI7 H89  H89 H  0 1 N N N N N N 3.375  8.546  26.436 -5.932  6.458  -2.102 H89  A1BI7 196 
A1BI7 H96  H96 H  0 1 N N N N N N 16.497 7.238  30.753 -15.261 -4.011 0.129  H96  A1BI7 197 
A1BI7 H95  H95 H  0 1 N N N N N N 16.783 5.467  30.656 -15.562 -2.257 0.128  H95  A1BI7 198 
A1BI7 H94  H94 H  0 1 N N N N N N 17.141 6.514  29.240 -15.131 -3.086 -1.386 H94  A1BI7 199 
A1BI7 H93  H93 H  0 1 N N N N N N 15.605 8.690  27.990 -14.387 -2.429 2.822  H93  A1BI7 200 
A1BI7 H91  H91 H  0 1 N N N N N N 16.693 7.271  27.819 -13.839 -0.751 2.589  H91  A1BI7 201 
A1BI7 H92  H92 H  0 1 N N N N N N 15.455 7.610  26.562 -15.105 -1.428 1.536  H92  A1BI7 202 
# 
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 
A1BI7 CR5  OR8  SING N N 1   
A1BI7 CR5  CR4  SING N N 2   
A1BI7 OP4  P1   DOUB N N 3   
A1BI7 O44  C43  DOUB N N 4   
A1BI7 CR4  CR3  SING N N 5   
A1BI7 CR4  OR6  SING N N 6   
A1BI7 C49  C50  SING N N 7   
A1BI7 C49  C48  SING N N 8   
A1BI7 CR3  CR2  SING N N 9   
A1BI7 CR3  OP2  SING N N 10  
A1BI7 OR6  CR1  SING N N 11  
A1BI7 CR1  CR2  SING N N 12  
A1BI7 CR1  NB1  SING N N 13  
A1BI7 P1   OP5  SING N N 14  
A1BI7 P1   OP2  SING N N 15  
A1BI7 P1   OP3  SING N N 16  
A1BI7 C43  N45  SING N N 17  
A1BI7 C43  C42  SING N N 18  
A1BI7 CPR3 CPR2 SING N N 19  
A1BI7 CB11 CB6  SING N N 20  
A1BI7 N52  C50  SING N N 21  
A1BI7 C50  O51  DOUB N N 22  
A1BI7 CR2  OR7  SING N N 23  
A1BI7 CB7  CB6  DOUB Y N 24  
A1BI7 CB7  CB8  SING Y N 25  
A1BI7 C47  C15  SING N N 26  
A1BI7 C48  C16  SING N N 27  
A1BI7 CPR2 OP3  SING N N 28  
A1BI7 CPR2 CPR1 SING N N 29  
A1BI7 C42  C41  SING N N 30  
A1BI7 NB1  CB8  SING Y N 31  
A1BI7 NB1  CB2  SING Y N 32  
A1BI7 CB6  CB5  SING Y N 33  
A1BI7 CB8  CB9  DOUB Y N 34  
A1BI7 C15  C16  SING N N 35  
A1BI7 C15  C14  SING N N 36  
A1BI7 C15  C46  SING N N 37  
A1BI7 CB2  NB3  DOUB Y N 38  
A1BI7 C16  C17  SING N N 39  
A1BI7 CB5  CB10 SING N N 40  
A1BI7 CB5  CB4  DOUB Y N 41  
A1BI7 C41  C8   SING N N 42  
A1BI7 O58  C57  DOUB N N 43  
A1BI7 CPR1 N59  SING N N 44  
A1BI7 CB9  NB3  SING Y N 45  
A1BI7 CB9  CB4  SING Y N 46  
A1BI7 C10  C14  SING N N 47  
A1BI7 C10  C9   DOUB N N 48  
A1BI7 C14  N23  DOUB N N 49  
A1BI7 C57  N59  SING N N 50  
A1BI7 C57  C56  SING N N 51  
A1BI7 C17  N23  SING N N 52  
A1BI7 C17  C18  DOUB N N 53  
A1BI7 C8   C9   SING N N 54  
A1BI7 C8   C7   SING N N 55  
A1BI7 C9   N22  SING N N 56  
A1BI7 N23  CO1  SING N N 57  
A1BI7 C53  C18  SING N N 58  
A1BI7 C18  C19  SING N N 59  
A1BI7 C56  C55  SING N N 60  
A1BI7 O39  C38  DOUB N N 61  
A1BI7 N22  CO1  SING N N 62  
A1BI7 N22  C6   DOUB N N 63  
A1BI7 CO1  N24  SING N N 64  
A1BI7 CO1  N21  SING N N 65  
A1BI7 CO1  C1L  SING N N 66  
A1BI7 C36  C7   SING N N 67  
A1BI7 C7   C6   SING N N 68  
A1BI7 C7   C37  SING N N 69  
A1BI7 C19  N24  DOUB N N 70  
A1BI7 C19  C1A  SING N N 71  
A1BI7 C55  C1A  SING N N 72  
A1BI7 C6   C5   SING N N 73  
A1BI7 N24  C1C  SING N N 74  
A1BI7 C38  C37  SING N N 75  
A1BI7 C38  N40  SING N N 76  
A1BI7 C20  C11  SING N N 77  
A1BI7 C1A  C1B  SING N N 78  
A1BI7 C1A  C54  SING N N 79  
A1BI7 N21  C11  SING N N 80  
A1BI7 N21  C4   SING N N 81  
A1BI7 C1L  C2L  TRIP N N 82  
A1BI7 C5   C4   DOUB N N 83  
A1BI7 C5   C35  SING N N 84  
A1BI7 O62  C61  DOUB N N 85  
A1BI7 C1B  C1C  SING N N 86  
A1BI7 C1B  C60  SING N N 87  
A1BI7 C11  C1C  SING N N 88  
A1BI7 C11  C2   SING N N 89  
A1BI7 C4   C3   SING N N 90  
A1BI7 C31  C32  SING N N 91  
A1BI7 C31  C30  SING N N 92  
A1BI7 O33  C32  DOUB N N 93  
A1BI7 C2L  C01  SING N N 94  
A1BI7 C32  N34  SING N N 95  
A1BI7 O02  C01  SING N N 96  
A1BI7 O02  C07  SING N N 97  
A1BI7 C61  C60  SING N N 98  
A1BI7 C61  N63  SING N N 99  
A1BI7 C3   C30  SING N N 100 
A1BI7 C3   C2   SING N N 101 
A1BI7 C01  O01  DOUB N N 102 
A1BI7 C2   C25  SING N N 103 
A1BI7 C2   C26  SING N N 104 
A1BI7 C06  C07  DOUB Y N 105 
A1BI7 C06  C05  SING Y N 106 
A1BI7 C07  C02  SING Y N 107 
A1BI7 C    C05  DOUB Y N 108 
A1BI7 C    C1   SING Y N 109 
A1BI7 C05  C04  SING Y N 110 
A1BI7 C26  C27  SING N N 111 
A1BI7 C02  C03  DOUB Y N 112 
A1BI7 C1   C12  DOUB Y N 113 
A1BI7 C04  C03  SING Y N 114 
A1BI7 C04  C13  DOUB Y N 115 
A1BI7 C27  N29  SING N N 116 
A1BI7 C27  O28  DOUB N N 117 
A1BI7 C12  C13  SING Y N 118 
A1BI7 C3   H2   SING N N 119 
A1BI7 C1   H3   SING N N 120 
A1BI7 C    H4   SING N N 121 
A1BI7 CB2  H5   SING N N 122 
A1BI7 C02  H6   SING N N 123 
A1BI7 C03  H7   SING N N 124 
A1BI7 C06  H8   SING N N 125 
A1BI7 C10  H9   SING N N 126 
A1BI7 C12  H10  SING N N 127 
A1BI7 C13  H11  SING N N 128 
A1BI7 C16  H12  SING N N 129 
A1BI7 C1B  H14  SING N N 130 
A1BI7 C1C  H15  SING N N 131 
A1BI7 C20  H16  SING N N 132 
A1BI7 C20  H17  SING N N 133 
A1BI7 C20  H18  SING N N 134 
A1BI7 C25  H19  SING N N 135 
A1BI7 C25  H20  SING N N 136 
A1BI7 C25  H21  SING N N 137 
A1BI7 C26  H22  SING N N 138 
A1BI7 C26  H23  SING N N 139 
A1BI7 C30  H24  SING N N 140 
A1BI7 C30  H25  SING N N 141 
A1BI7 C31  H26  SING N N 142 
A1BI7 C31  H27  SING N N 143 
A1BI7 C35  H28  SING N N 144 
A1BI7 C35  H29  SING N N 145 
A1BI7 C35  H30  SING N N 146 
A1BI7 C36  H31  SING N N 147 
A1BI7 C36  H32  SING N N 148 
A1BI7 C36  H33  SING N N 149 
A1BI7 C37  H34  SING N N 150 
A1BI7 C37  H35  SING N N 151 
A1BI7 C41  H36  SING N N 152 
A1BI7 C41  H37  SING N N 153 
A1BI7 C42  H38  SING N N 154 
A1BI7 C42  H39  SING N N 155 
A1BI7 C46  H40  SING N N 156 
A1BI7 C46  H41  SING N N 157 
A1BI7 C46  H42  SING N N 158 
A1BI7 C47  H43  SING N N 159 
A1BI7 C47  H44  SING N N 160 
A1BI7 C47  H45  SING N N 161 
A1BI7 C48  H46  SING N N 162 
A1BI7 C48  H47  SING N N 163 
A1BI7 C49  H48  SING N N 164 
A1BI7 C49  H49  SING N N 165 
A1BI7 C53  H50  SING N N 166 
A1BI7 C53  H51  SING N N 167 
A1BI7 C53  H52  SING N N 168 
A1BI7 C54  H53  SING N N 169 
A1BI7 C54  H54  SING N N 170 
A1BI7 C54  H55  SING N N 171 
A1BI7 C55  H56  SING N N 172 
A1BI7 C55  H57  SING N N 173 
A1BI7 C56  H58  SING N N 174 
A1BI7 C56  H59  SING N N 175 
A1BI7 C60  H60  SING N N 176 
A1BI7 C60  H61  SING N N 177 
A1BI7 C8   H62  SING N N 178 
A1BI7 CB4  H64  SING N N 179 
A1BI7 CB7  H65  SING N N 180 
A1BI7 CR1  H66  SING N N 181 
A1BI7 CR2  H67  SING N N 182 
A1BI7 CR3  H68  SING N N 183 
A1BI7 CR4  H69  SING N N 184 
A1BI7 CR5  H70  SING N N 185 
A1BI7 CR5  H71  SING N N 186 
A1BI7 N29  H72  SING N N 187 
A1BI7 N29  H73  SING N N 188 
A1BI7 N34  H74  SING N N 189 
A1BI7 N34  H75  SING N N 190 
A1BI7 N40  H76  SING N N 191 
A1BI7 N40  H77  SING N N 192 
A1BI7 N45  H78  SING N N 193 
A1BI7 N45  H79  SING N N 194 
A1BI7 N52  H80  SING N N 195 
A1BI7 N52  H81  SING N N 196 
A1BI7 N59  H82  SING N N 197 
A1BI7 N63  H83  SING N N 198 
A1BI7 N63  H84  SING N N 199 
A1BI7 OP5  H85  SING N N 200 
A1BI7 OR7  H86  SING N N 201 
A1BI7 OR8  H87  SING N N 202 
A1BI7 CPR1 H13  SING N N 203 
A1BI7 CPR1 H1   SING N N 204 
A1BI7 CPR2 H63  SING N N 205 
A1BI7 CPR3 H90  SING N N 206 
A1BI7 CPR3 H88  SING N N 207 
A1BI7 CPR3 H89  SING N N 208 
A1BI7 CB10 H96  SING N N 209 
A1BI7 CB10 H95  SING N N 210 
A1BI7 CB10 H94  SING N N 211 
A1BI7 CB11 H93  SING N N 212 
A1BI7 CB11 H91  SING N N 213 
A1BI7 CB11 H92  SING N N 214 
# 
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 
A1BI7 InChI            InChI                1.06    "InChI=1S/C62H90N13O14P.C13H7O2.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;1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);3-9H;/q;;+4/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1" 
A1BI7 InChIKey         InChI                1.06    GFMYGTVSOVHBQP-WZHZPDAFSA-M                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
A1BI7 SMILES_CANONICAL CACTVS               3.385   "C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2[N@@+]3=C1C(=C4[C@@H](CCC(N)=O)C(C)(C)C5=[N@+]4[Co]36(C#CC(=O)Oc7ccc8ccccc8c7)[N@@]9C(=C(C)C%10=[N@+]6C(=C5)[C@@H](CCC(N)=O)[C@]%10(C)CC(N)=O)[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]29C)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"                                                                                                                                                                                                                                                                                    
A1BI7 SMILES           CACTVS               3.385   "C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N+]3=C1C(=C4[CH](CCC(N)=O)C(C)(C)C5=[N+]4[Co]36(C#CC(=O)Oc7ccc8ccccc8c7)[N]9C(=C(C)C%10=[N+]6C(=C5)[CH](CCC(N)=O)[C]%10(C)CC(N)=O)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]29C)C)O[P](O)(=O)O[CH]%11[CH](O)[CH](O[CH]%11CO)n%12cnc%13cc(C)c(C)cc%12%13"                                                                                                                                                                                                                                                                                                              
A1BI7 SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C7=C(C8=[N+]9C(=CC1=[N+]2[Co]9(N76)([N+]5=C4C(=C2[C@H](C1(C)C)CCC(=O)N)C)C#CC(=O)Oc1ccc2ccccc2c1)[C@H]([C@]8(C)CC(=O)N)CCC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O"                                                                                                                                                                                                                                                                                                           
A1BI7 SMILES           "OpenEye OEToolkits" 3.1.0.0 "Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=C(C8=[N+]9C(=CC1=[N+]2[Co]9(N76)([N+]5=C4C(=C2C(C1(C)C)CCC(=O)N)C)C#CC(=O)Oc1ccc2ccccc2c1)C(C8(C)CC(=O)N)CCC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O"                                                                                                                                                                                                                                                                                                                                                                      
# 
_pdbx_chem_comp_identifier.comp_id           A1BI7 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   3.1.0.0 
_pdbx_chem_comp_identifier.identifier        "naphthalen-2-yl 3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5-[3-[[(2~{R})-2-[[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxypropyl]amino]-3-oxidanylidene-propyl]-5,7,10,10,15,17,20,21-octamethyl-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-1-yl]prop-2-ynoate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1BI7 "Create component"   2024-12-05 RCSB 
A1BI7 "Other modification" 2024-12-09 RCSB 
A1BI7 "Initial release"    2025-09-24 RCSB 
# 
