data_A1BEN
# 
_chem_comp.id                                    A1BEN 
_chem_comp.name                                  ethynyl-4-nitrobenzene-cobalamin 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C70 H93 Co N14 O16 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2~{R})-1-[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)-1-[2-[4-[$l^{1}-oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]ethynyl]-5,7,10,10,15,17,20,21-octamethyl-2$l^{4},22,23$l^{4},24$l^{4}-tetraza-1$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-5-yl]propanoylamino]propan-2-yl] hydrogen phosphate" 
_chem_comp.pdbx_formal_charge                    2 
_chem_comp.pdbx_initial_date                     2024-10-31 
_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                        1476.479 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1BEN 
_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        9E5I 
_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 
A1BEN C4   C1  C  0  1 N N N N N N 6.607  -3.386 33.831 6.607  -3.386 33.831 C4   A1BEN 1   
A1BEN C3   C2  C  0  1 N N S N N N 6.442  -4.630 34.649 6.442  -4.630 34.649 C3   A1BEN 2   
A1BEN C2   C3  C  0  1 N N S N N N 7.945  -4.906 34.993 7.945  -4.906 34.993 C2   A1BEN 3   
A1BEN C1   C4  C  0  1 N N R N N N 8.704  -4.409 33.697 8.704  -4.409 33.697 C1   A1BEN 4   
A1BEN NB1  N1  N  0  1 Y N N N N N 8.882  -4.376 28.501 8.882  -4.376 28.501 NB1  A1BEN 5   
A1BEN CB2  C5  C  0  1 Y N N N N N 9.246  -3.540 29.552 9.246  -3.540 29.552 CB2  A1BEN 6   
A1BEN NB3  N2  N  0  1 Y N N N N N 8.244  -3.337 30.401 8.244  -3.337 30.401 NB3  A1BEN 7   
A1BEN C10  C6  C  0  1 N N N N N N 7.276  0.143  29.982 7.276  0.143  29.982 C10  A1BEN 8   
A1BEN C11  C7  C  0  1 N N N N N N 8.639  0.077  30.190 8.639  0.077  30.190 C11  A1BEN 9   
A1BEN C12  C8  C  0  1 N N N N N N 9.593  1.012  29.480 9.593  1.012  29.480 C12  A1BEN 10  
A1BEN C13  C9  C  0  1 N N S N N N 10.948 0.235  29.595 10.948 0.235  29.595 C13  A1BEN 11  
A1BEN C14  C10 C  0  1 N N N N N N 10.671 -0.750 30.729 10.671 -0.750 30.729 C14  A1BEN 12  
A1BEN C15  C11 C  0  1 N N N N N N 11.665 -1.419 31.430 11.665 -1.419 31.430 C15  A1BEN 13  
A1BEN C16  C12 C  0  1 N N N N N N 11.286 -2.395 32.416 11.286 -2.395 32.416 C16  A1BEN 14  
A1BEN C17  C13 C  0  1 N N R N N N 12.287 -3.201 33.282 12.287 -3.201 33.282 C17  A1BEN 15  
A1BEN C18  C14 C  0  1 N N R N N N 11.339 -4.320 33.746 11.339 -4.320 33.746 C18  A1BEN 16  
A1BEN C19  C15 C  0  1 N N R N N N 9.993  -3.628 33.892 9.993  -3.628 33.892 C19  A1BEN 17  
A1BEN C1L  C16 C  0  1 N N N N N N 8.325  -0.679 33.332 8.325  -0.679 33.332 C1L  A1BEN 18  
A1BEN C20  C17 C  0  1 N N N N N N 8.911  -5.472 32.606 8.911  -5.472 32.606 C20  A1BEN 19  
A1BEN C25  C18 C  0  1 N N N N N N 8.267  -6.392 35.282 8.267  -6.392 35.282 C25  A1BEN 20  
A1BEN C26  C19 C  0  1 N N N N N N 8.314  -4.084 36.248 8.314  -4.084 36.248 C26  A1BEN 21  
A1BEN C27  C20 C  0  1 N N N N N N 7.430  -4.247 37.470 7.430  -4.247 37.470 C27  A1BEN 22  
A1BEN C2L  C21 C  0  1 N N N N N N 7.994  0.347  33.925 7.994  0.347  33.925 C2L  A1BEN 23  
A1BEN C30  C22 C  0  1 N N N N N N 5.607  -5.789 34.010 5.607  -5.789 34.010 C30  A1BEN 24  
A1BEN C31  C23 C  0  1 N N N N N N 4.871  -6.781 34.942 4.871  -6.781 34.942 C31  A1BEN 25  
A1BEN C32  C24 C  0  1 N N N N N N 4.082  -7.808 34.182 4.082  -7.808 34.182 C32  A1BEN 26  
A1BEN C35  C25 C  0  1 N N N N N N 4.466  -2.527 34.676 4.466  -2.527 34.676 C35  A1BEN 27  
A1BEN C36  C26 C  0  1 N N N N N N 2.989  -0.805 32.441 2.989  -0.805 32.441 C36  A1BEN 28  
A1BEN C37  C27 C  0  1 N N N N N N 4.869  0.797  32.947 4.869  0.797  32.947 C37  A1BEN 29  
A1BEN C38  C28 C  0  1 N N N N N N 3.928  1.922  32.638 3.928  1.922  32.638 C38  A1BEN 30  
A1BEN C3L  C29 C  0  1 Y N N N N N 7.577  1.654  34.430 7.577  1.654  34.430 C3L  A1BEN 31  
A1BEN C41  C30 C  0  1 N N N N N N 4.114  -1.352 29.644 4.114  -1.352 29.644 C41  A1BEN 32  
A1BEN C42  C31 C  0  1 N N N N N N 4.910  -1.508 28.355 4.910  -1.508 28.355 C42  A1BEN 33  
A1BEN C43  C32 C  0  1 N N N N N N 4.216  -2.340 27.342 4.216  -2.340 27.342 C43  A1BEN 34  
A1BEN C46  C33 C  0  1 N N N N N N 9.665  2.320  30.322 9.665  2.320  30.322 C46  A1BEN 35  
A1BEN C47  C34 C  0  1 N N N N N N 9.113  1.439  28.093 9.113  1.439  28.093 C47  A1BEN 36  
A1BEN C48  C35 C  0  1 N N N N N N 11.413 -0.584 28.362 11.413 -0.584 28.362 C48  A1BEN 37  
A1BEN C49  C36 C  0  1 N N N N N N 12.042 0.200  27.188 12.042 0.200  27.188 C49  A1BEN 38  
A1BEN C4L  C37 C  0  1 Y N N N N N 7.618  2.792  33.586 7.618  2.792  33.586 C4L  A1BEN 39  
A1BEN C5   C38 C  0  1 N N N N N N 5.490  -2.519 33.557 5.490  -2.519 33.557 C5   A1BEN 40  
A1BEN C50  C39 C  0  1 N N N N N N 13.041 1.162  27.700 13.041 1.162  27.700 C50  A1BEN 41  
A1BEN C53  C40 C  0  1 N N N N N N 13.140 -1.100 31.115 13.140 -1.100 31.115 C53  A1BEN 42  
A1BEN C54  C41 C  0  1 N N N N N N 12.723 -2.373 34.549 12.723 -2.373 34.549 C54  A1BEN 43  
A1BEN C55  C42 C  0  1 N N N N N N 13.530 -3.802 32.577 13.530 -3.802 32.577 C55  A1BEN 44  
A1BEN C56  C43 C  0  1 N N N N N N 13.264 -4.545 31.257 13.264 -4.545 31.257 C56  A1BEN 45  
A1BEN C57  C44 C  0  1 N N N N N N 14.539 -4.843 30.505 14.539 -4.843 30.505 C57  A1BEN 46  
A1BEN C5L  C45 C  0  1 Y N N N N N 7.237  4.031  34.036 7.237  4.031  34.036 C5L  A1BEN 47  
A1BEN C6   C46 C  0  1 N N N N N N 5.552  -1.549 32.569 5.552  -1.549 32.569 C6   A1BEN 48  
A1BEN C60  C47 C  0  1 N N N N N N 11.849 -5.098 34.987 11.849 -5.098 34.987 C60  A1BEN 49  
A1BEN C61  C48 C  0  1 N N N N N N 11.918 -6.625 34.817 11.918 -6.625 34.817 C61  A1BEN 50  
A1BEN C6L  C49 C  0  1 Y N N N N N 6.761  4.150  35.322 6.761  4.150  35.322 C6L  A1BEN 51  
A1BEN C7   C50 C  0  1 N N S N N N 4.476  -0.490 32.179 4.476  -0.490 32.179 C7   A1BEN 52  
A1BEN C7L  C51 C  0  1 Y N N N N N 6.703  3.090  36.207 6.703  3.090  36.207 C7L  A1BEN 53  
A1BEN C8   C52 C  0  1 N N S N N N 4.780  -0.336 30.657 4.780  -0.336 30.657 C8   A1BEN 54  
A1BEN C8L  C53 C  0  1 Y N N N N N 7.090  1.838  35.738 7.090  1.838  35.738 C8L  A1BEN 55  
A1BEN C9   C54 C  0  1 N N N N N N 6.315  -0.560 30.699 6.315  -0.560 30.699 C9   A1BEN 56  
A1BEN CB4  C55 C  0  1 Y N N N N N 5.875  -4.302 30.332 5.875  -4.302 30.332 CB4  A1BEN 57  
A1BEN CB5  C56 C  0  1 Y N N N N N 4.973  -5.064 29.587 4.973  -5.064 29.587 CB5  A1BEN 58  
A1BEN CB6  C57 C  0  1 Y N N N N N 5.408  -5.710 28.438 5.408  -5.710 28.438 CB6  A1BEN 59  
A1BEN CB7  C58 C  0  1 Y N N N N N 6.708  -5.552 27.951 6.708  -5.552 27.951 CB7  A1BEN 60  
A1BEN CB8  C59 C  0  1 Y N N N N N 7.582  -4.728 28.715 7.582  -4.728 28.715 CB8  A1BEN 61  
A1BEN CB9  C60 C  0  1 Y N N N N N 7.164  -4.083 29.865 7.164  -4.083 29.865 CB9  A1BEN 62  
A1BEN CR1  C61 C  0  1 N N S N N N 9.755  -4.836 27.461 9.755  -4.836 27.461 CR1  A1BEN 63  
A1BEN CR2  C62 C  0  1 N N R N N N 10.529 -6.082 27.950 10.529 -6.082 27.950 CR2  A1BEN 64  
A1BEN CR3  C63 C  0  1 N N S N N N 11.819 -5.948 27.179 11.819 -5.948 27.179 CR3  A1BEN 65  
A1BEN CR4  C64 C  0  1 N N R N N N 12.050 -4.444 27.173 12.050 -4.444 27.173 CR4  A1BEN 66  
A1BEN CR5  C65 C  0  1 N N N N N N 12.831 -3.964 26.008 12.831 -3.964 26.008 CR5  A1BEN 67  
A1BEN N21  N3  N  0  1 N N N N N N 7.683  -3.425 33.148 7.683  -3.425 33.148 N21  A1BEN 68  
A1BEN N22  N4  N  0  1 N N N N N N 6.639  -1.435 31.691 6.639  -1.435 31.691 N22  A1BEN 69  
A1BEN N23  N5  N  0  1 N N N N N N 9.294  -0.888 30.895 9.294  -0.888 30.895 N23  A1BEN 70  
A1BEN N24  N6  N  0  1 N N N N N N 10.064 -2.665 32.774 10.064 -2.665 32.774 N24  A1BEN 71  
A1BEN N29  N7  N  0  1 N N N N N N 6.991  -3.110 38.018 6.991  -3.110 38.018 N29  A1BEN 72  
A1BEN N34  N8  N  0  1 N N N N N N 4.423  -9.093 34.369 4.423  -9.093 34.369 N34  A1BEN 73  
A1BEN N40  N9  N  0  1 N N N N N N 2.987  2.191  33.524 2.987  2.191  33.524 N40  A1BEN 74  
A1BEN N45  N10 N  0  1 N N N N N N 2.949  -2.527 27.557 2.949  -2.527 27.557 N45  A1BEN 75  
A1BEN N52  N11 N  0  1 N N N N N N 12.667 2.432  27.581 12.667 2.432  27.581 N52  A1BEN 76  
A1BEN N59  N12 N  0  1 N N N N N N 15.008 -6.065 30.548 15.008 -6.065 30.548 N59  A1BEN 77  
A1BEN N63  N13 N  0  1 N N N N N N 12.064 -7.257 35.976 12.064 -7.257 35.976 N63  A1BEN 78  
A1BEN N9L  N14 N  1  1 N N N N N N 6.377  5.477  35.780 6.377  5.477  35.780 N9L  A1BEN 79  
A1BEN O28  O1  O  0  1 N N N N N N 7.189  -5.374 37.932 7.189  -5.374 37.932 O28  A1BEN 80  
A1BEN O33  O2  O  0  1 N N N N N N 3.197  -7.458 33.440 3.197  -7.458 33.440 O33  A1BEN 81  
A1BEN O39  O3  O  0  1 N N N N N N 4.063  2.531  31.575 4.063  2.531  31.575 O39  A1BEN 82  
A1BEN O44  O4  O  0  1 N N N N N N 4.846  -2.811 26.379 4.846  -2.811 26.379 O44  A1BEN 83  
A1BEN O51  O5  O  0  1 N N N N N N 14.103 0.713  28.142 14.103 0.713  28.142 O51  A1BEN 84  
A1BEN O58  O6  O  0  1 N N N N N N 15.077 -3.945 29.822 15.077 -3.945 29.822 O58  A1BEN 85  
A1BEN O62  O7  O  0  1 N N N N N N 11.865 -7.218 33.730 11.865 -7.218 33.730 O62  A1BEN 86  
A1BEN OP2  O8  O  0  1 N N N N N N 12.952 -6.548 27.874 12.952 -6.548 27.874 OP2  A1BEN 87  
A1BEN OP3  O9  O  0  1 N N N N N N 14.920 -7.891 28.358 14.920 -7.891 28.358 OP3  A1BEN 88  
A1BEN OP4  O10 O  0  1 N N N N N N 14.157 -7.655 25.967 14.157 -7.655 25.967 OP4  A1BEN 89  
A1BEN OP5  O11 O  0  1 N N N N N N 12.918 -9.130 27.528 12.918 -9.130 27.528 OP5  A1BEN 90  
A1BEN OR6  O12 O  0  1 N N N N N N 10.723 -3.871 27.113 10.723 -3.871 27.113 OR6  A1BEN 91  
A1BEN OR7  O13 O  0  1 N N N N N N 10.750 -6.010 29.354 10.750 -6.010 29.354 OR7  A1BEN 92  
A1BEN OR8  O14 O  0  1 N N N N N N 13.090 -2.555 26.001 13.090 -2.555 26.001 OR8  A1BEN 93  
A1BEN P1   P1  P  0  1 N N N N N N 13.678 -7.870 27.325 13.678 -7.870 27.325 P1   A1BEN 94  
A1BEN CB10 C66 C  0  0 N N N N N N 3.590  -5.276 30.101 3.590  -5.276 30.101 CB10 A1BEN 95  
A1BEN CB11 C67 C  0  0 N N N N N N 4.433  -6.579 27.646 4.433  -6.579 27.646 CB11 A1BEN 96  
A1BEN CPR1 C68 C  0  0 N N N N N N 16.198 -6.451 29.824 16.198 -6.451 29.824 CPR1 A1BEN 97  
A1BEN CPR2 C69 C  0  0 N N R N N N 15.845 -6.758 28.361 15.845 -6.758 28.361 CPR2 A1BEN 98  
A1BEN CPR3 C70 C  0  0 N N N N N N 17.145 -7.128 27.705 17.145 -7.128 27.705 CPR3 A1BEN 99  
A1BEN CO1  CO1 CO 2  0 N N N N N N 8.413  -2.078 32.079 8.413  -2.078 32.079 CO1  A1BEN 100 
A1BEN O10L O15 O  0  0 N N N N N N 5.610  5.507  36.748 5.610  5.507  36.748 O10L A1BEN 101 
A1BEN O11L O16 O  -1 0 N N N N N N 6.808  6.478  35.207 6.808  6.478  35.207 O11L A1BEN 102 
A1BEN H2   H2  H  0  1 N N N N N N 5.942  -4.352 35.588 5.942  -4.352 35.589 H2   A1BEN 103 
A1BEN H3   H3  H  0  1 N N N N N N 10.229 -3.106 29.665 10.229 -3.106 29.665 H3   A1BEN 104 
A1BEN H4   H4  H  0  1 N N N N N N 6.927  0.796  29.196 6.927  0.796  29.196 H4   A1BEN 105 
A1BEN H6   H6  H  0  1 N N N N N N 11.744 0.933  29.893 11.744 0.933  29.893 H6   A1BEN 106 
A1BEN H8   H8  H  0  1 N N N N N N 11.254 -5.042 32.921 11.254 -5.042 32.921 H8   A1BEN 107 
A1BEN H9   H9  H  0  1 N N N N N N 9.957  -3.092 34.852 9.957  -3.092 34.852 H9   A1BEN 108 
A1BEN H10  H10 H  0  1 N N N N N N 9.645  -6.215 32.952 9.645  -6.215 32.952 H10  A1BEN 109 
A1BEN H11  H11 H  0  1 N N N N N N 7.954  -5.973 32.396 7.954  -5.972 32.396 H11  A1BEN 110 
A1BEN H12  H12 H  0  1 N N N N N N 9.282  -4.989 31.690 9.281  -4.989 31.690 H12  A1BEN 111 
A1BEN H13  H13 H  0  1 N N N N N N 7.729  -6.715 36.186 7.729  -6.715 36.186 H13  A1BEN 112 
A1BEN H14  H14 H  0  1 N N N N N N 7.951  -7.008 34.427 7.951  -7.008 34.428 H14  A1BEN 113 
A1BEN H15  H15 H  0  1 N N N N N N 9.350  -6.509 35.438 9.350  -6.509 35.438 H15  A1BEN 114 
A1BEN H16  H16 H  0  1 N N N N N N 9.336  -4.367 36.539 9.336  -4.367 36.540 H16  A1BEN 115 
A1BEN H17  H17 H  0  1 N N N N N N 8.294  -3.021 35.965 8.294  -3.021 35.965 H17  A1BEN 116 
A1BEN H18  H18 H  0  1 N N N N N N 4.845  -5.322 33.369 4.845  -5.322 33.368 H18  A1BEN 117 
A1BEN H19  H19 H  0  1 N N N N N N 6.297  -6.380 33.389 6.297  -6.380 33.389 H19  A1BEN 118 
A1BEN H20  H20 H  0  1 N N N N N N 5.616  -7.298 35.565 5.616  -7.298 35.565 H20  A1BEN 119 
A1BEN H21  H21 H  0  1 N N N N N N 4.183  -6.215 35.587 4.183  -6.215 35.587 H21  A1BEN 120 
A1BEN H22  H22 H  0  1 N N N N N N 4.635  -3.401 35.322 4.635  -3.401 35.322 H22  A1BEN 121 
A1BEN H23  H23 H  0  1 N N N N N N 4.566  -1.607 35.271 4.566  -1.607 35.271 H23  A1BEN 122 
A1BEN H24  H24 H  0  1 N N N N N N 3.454  -2.579 34.247 3.454  -2.579 34.247 H24  A1BEN 123 
A1BEN H25  H25 H  0  1 N N N N N N 2.820  -0.905 33.523 2.820  -0.905 33.523 H25  A1BEN 124 
A1BEN H26  H26 H  0  1 N N N N N N 2.366  0.012  32.047 2.366  0.012  32.047 H26  A1BEN 125 
A1BEN H27  H27 H  0  1 N N N N N N 2.720  -1.746 31.939 2.720  -1.746 31.940 H27  A1BEN 126 
A1BEN H28  H28 H  0  1 N N N N N N 4.841  0.593  34.027 4.841  0.593  34.028 H28  A1BEN 127 
A1BEN H29  H29 H  0  1 N N N N N N 5.888  1.091  32.656 5.888  1.092  32.656 H29  A1BEN 128 
A1BEN H30  H30 H  0  1 N N N N N N 3.107  -0.988 29.393 3.107  -0.988 29.393 H30  A1BEN 129 
A1BEN H31  H31 H  0  1 N N N N N N 4.038  -2.335 30.131 4.038  -2.335 30.131 H31  A1BEN 130 
A1BEN H32  H32 H  0  1 N N N N N N 5.875  -1.979 28.594 5.875  -1.979 28.594 H32  A1BEN 131 
A1BEN H33  H33 H  0  1 N N N N N N 5.085  -0.509 27.928 5.085  -0.509 27.928 H33  A1BEN 132 
A1BEN H34  H34 H  0  1 N N N N N N 10.007 2.083  31.340 10.007 2.083  31.340 H34  A1BEN 133 
A1BEN H35  H35 H  0  1 N N N N N N 10.371 3.020  29.852 10.372 3.020  29.852 H35  A1BEN 134 
A1BEN H36  H36 H  0  1 N N N N N N 8.668  2.782  30.368 8.668  2.782  30.368 H36  A1BEN 135 
A1BEN H37  H37 H  0  1 N N N N N N 8.154  1.970  28.184 8.154  1.970  28.184 H37  A1BEN 136 
A1BEN H38  H38 H  0  1 N N N N N N 9.859  2.106  27.636 9.859  2.106  27.636 H38  A1BEN 137 
A1BEN H39  H39 H  0  1 N N N N N N 8.981  0.549  27.461 8.981  0.549  27.461 H39  A1BEN 138 
A1BEN H40  H40 H  0  1 N N N N N N 10.535 -1.119 27.970 10.535 -1.119 27.970 H40  A1BEN 139 
A1BEN H41  H41 H  0  1 N N N N N N 12.160 -1.312 28.711 12.160 -1.312 28.711 H41  A1BEN 140 
A1BEN H42  H42 H  0  1 N N N N N N 11.253 0.746  26.650 11.253 0.746  26.650 H42  A1BEN 141 
A1BEN H43  H43 H  0  1 N N N N N N 12.534 -0.505 26.501 12.534 -0.505 26.501 H43  A1BEN 142 
A1BEN H44  H44 H  0  1 N N N N N N 7.957  2.681  32.566 7.957  2.681  32.566 H44  A1BEN 143 
A1BEN H45  H45 H  0  1 N N N N N N 13.793 -1.713 31.754 13.793 -1.712 31.754 H45  A1BEN 144 
A1BEN H46  H46 H  0  1 N N N N N N 13.346 -1.325 30.058 13.346 -1.325 30.058 H46  A1BEN 145 
A1BEN H47  H47 H  0  1 N N N N N N 13.334 -0.034 31.307 13.334 -0.034 31.308 H47  A1BEN 146 
A1BEN H48  H48 H  0  1 N N N N N N 13.432 -2.964 35.148 13.432 -2.964 35.147 H48  A1BEN 147 
A1BEN H49  H49 H  0  1 N N N N N N 13.205 -1.438 34.228 13.205 -1.438 34.228 H49  A1BEN 148 
A1BEN H50  H50 H  0  1 N N N N N N 11.837 -2.139 35.157 11.837 -2.139 35.157 H50  A1BEN 149 
A1BEN H51  H51 H  0  1 N N N N N N 14.001 -4.511 33.273 14.001 -4.511 33.273 H51  A1BEN 150 
A1BEN H52  H52 H  0  1 N N N N N N 14.227 -2.978 32.365 14.227 -2.978 32.365 H52  A1BEN 151 
A1BEN H53  H53 H  0  1 N N N N N N 12.616 -3.921 30.623 12.616 -3.921 30.623 H53  A1BEN 152 
A1BEN H54  H54 H  0  1 N N N N N N 12.754 -5.494 31.481 12.754 -5.494 31.481 H54  A1BEN 153 
A1BEN H55  H55 H  0  1 N N N N N N 7.309  4.896  33.394 7.309  4.896  33.394 H55  A1BEN 154 
A1BEN H56  H56 H  0  1 N N N N N N 12.860 -4.736 35.225 12.860 -4.736 35.224 H56  A1BEN 155 
A1BEN H57  H57 H  0  1 N N N N N N 11.174 -4.879 35.828 11.174 -4.879 35.827 H57  A1BEN 156 
A1BEN H58  H58 H  0  1 N N N N N N 6.370  3.228  37.225 6.370  3.228  37.225 H58  A1BEN 157 
A1BEN H59  H59 H  0  1 N N N N N N 4.562  0.694  30.338 4.562  0.694  30.338 H59  A1BEN 158 
A1BEN H60  H60 H  0  1 N N N N N N 7.015  0.984  36.395 7.015  0.984  36.395 H60  A1BEN 159 
A1BEN H61  H61 H  0  1 N N N N N N 5.568  -3.880 31.278 5.568  -3.880 31.278 H61  A1BEN 160 
A1BEN H62  H62 H  0  1 N N N N N N 7.034  -6.031 27.040 7.034  -6.031 27.040 H62  A1BEN 161 
A1BEN H63  H63 H  0  1 N N N N N N 9.166  -5.119 26.576 9.166  -5.119 26.576 H63  A1BEN 162 
A1BEN H64  H64 H  0  1 N N N N N N 9.995  -7.000 27.662 9.995  -6.999 27.662 H64  A1BEN 163 
A1BEN H65  H65 H  0  1 N N N N N N 11.712 -6.335 26.155 11.712 -6.335 26.155 H65  A1BEN 164 
A1BEN H66  H66 H  0  1 N N N N N N 12.552 -4.149 28.106 12.552 -4.149 28.106 H66  A1BEN 165 
A1BEN H67  H67 H  0  1 N N N N N N 12.272 -4.214 25.094 12.272 -4.214 25.094 H67  A1BEN 166 
A1BEN H68  H68 H  0  1 N N N N N N 13.797 -4.490 26.003 13.797 -4.490 26.003 H68  A1BEN 167 
A1BEN H69  H69 H  0  1 N N N N N N 6.434  -3.137 38.848 6.434  -3.137 38.848 H69  A1BEN 168 
A1BEN H70  H70 H  0  1 N N N N N N 7.219  -2.232 37.598 7.219  -2.232 37.598 H70  A1BEN 169 
A1BEN H71  H71 H  0  1 N N N N N N 3.935  -9.816 33.881 3.934  -9.816 33.881 H71  A1BEN 170 
A1BEN H72  H72 H  0  1 N N N N N N 5.165  -9.327 34.997 5.166  -9.327 34.997 H72  A1BEN 171 
A1BEN H73  H73 H  0  1 N N N N N N 2.332  2.926  33.350 2.332  2.926  33.350 H73  A1BEN 172 
A1BEN H74  H74 H  0  1 N N N N N N 2.930  1.660  34.369 2.930  1.660  34.369 H74  A1BEN 173 
A1BEN H75  H75 H  0  1 N N N N N N 2.411  -3.084 26.924 2.411  -3.084 26.924 H75  A1BEN 174 
A1BEN H76  H76 H  0  1 N N N N N N 2.511  -2.114 28.356 2.511  -2.114 28.356 H76  A1BEN 175 
A1BEN H77  H77 H  0  1 N N N N N N 13.284 3.164  27.870 13.284 3.164  27.870 H77  A1BEN 176 
A1BEN H78  H78 H  0  1 N N N N N N 11.769 2.655  27.202 11.769 2.655  27.202 H78  A1BEN 177 
A1BEN H79  H79 H  0  1 N N N N N N 14.529 -6.750 31.097 14.530 -6.750 31.097 H79  A1BEN 178 
A1BEN H80  H80 H  0  1 N N N N N N 12.136 -8.254 35.996 12.136 -8.254 35.996 H80  A1BEN 179 
A1BEN H81  H81 H  0  1 N N N N N N 12.102 -6.736 36.829 12.102 -6.736 36.828 H81  A1BEN 180 
A1BEN H82  H82 H  0  1 N N N N N N 12.868 -9.606 26.707 12.868 -9.606 26.707 H82  A1BEN 181 
A1BEN H83  H83 H  0  1 N N N N N N 9.921  -6.097 29.810 9.921  -6.097 29.810 H83  A1BEN 182 
A1BEN H84  H84 H  0  1 N N N N N N 13.592 -2.329 25.227 13.592 -2.329 25.227 H84  A1BEN 183 
A1BEN H85  H85 H  0  1 N N N N N N 3.575  -6.155 30.762 3.575  -6.155 30.761 H85  A1BEN 184 
A1BEN H86  H86 H  0  1 N N N N N N 3.269  -4.388 30.665 3.269  -4.388 30.665 H86  A1BEN 185 
A1BEN H87  H87 H  0  1 N N N N N N 2.906  -5.441 29.255 2.906  -5.441 29.255 H87  A1BEN 186 
A1BEN H88  H88 H  0  1 N N N N N N 4.488  -7.616 28.009 4.488  -7.616 28.009 H88  A1BEN 187 
A1BEN H89  H89 H  0  1 N N N N N N 3.410  -6.197 27.780 3.410  -6.197 27.780 H89  A1BEN 188 
A1BEN H90  H90 H  0  1 N N N N N N 4.699  -6.549 26.579 4.699  -6.549 26.579 H90  A1BEN 189 
A1BEN H91  H91 H  0  1 N N N N N N 16.633 -7.347 30.290 16.633 -7.347 30.290 H91  A1BEN 190 
A1BEN H92  H92 H  0  1 N N N N N N 16.928 -5.629 29.858 16.928 -5.629 29.858 H92  A1BEN 191 
A1BEN H93  H93 H  0  1 N N N N N N 15.401 -5.874 27.880 15.401 -5.874 27.880 H93  A1BEN 192 
A1BEN H94  H94 H  0  1 N N N N N N 17.823 -6.262 27.719 17.823 -6.262 27.719 H94  A1BEN 193 
A1BEN H95  H95 H  0  1 N N N N N N 17.606 -7.964 28.251 17.607 -7.964 28.251 H95  A1BEN 194 
A1BEN H96  H96 H  0  1 N N N N N N 16.957 -7.430 26.664 16.957 -7.430 26.664 H96  A1BEN 195 
# 
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 
A1BEN OP4  P1   DOUB N N 1   
A1BEN OR8  CR5  SING N N 2   
A1BEN CR5  CR4  SING N N 3   
A1BEN O44  C43  DOUB N N 4   
A1BEN OR6  CR4  SING N N 5   
A1BEN OR6  CR1  SING N N 6   
A1BEN CR4  CR3  SING N N 7   
A1BEN CR3  OP2  SING N N 8   
A1BEN CR3  CR2  SING N N 9   
A1BEN C49  C50  SING N N 10  
A1BEN C49  C48  SING N N 11  
A1BEN P1   OP5  SING N N 12  
A1BEN P1   OP2  SING N N 13  
A1BEN P1   OP3  SING N N 14  
A1BEN C43  N45  SING N N 15  
A1BEN C43  C42  SING N N 16  
A1BEN CR1  CR2  SING N N 17  
A1BEN CR1  NB1  SING N N 18  
A1BEN N52  C50  SING N N 19  
A1BEN CB11 CB6  SING N N 20  
A1BEN C50  O51  DOUB N N 21  
A1BEN CPR3 CPR2 SING N N 22  
A1BEN CR2  OR7  SING N N 23  
A1BEN CB7  CB6  DOUB Y N 24  
A1BEN CB7  CB8  SING Y N 25  
A1BEN C47  C12  SING N N 26  
A1BEN C42  C41  SING N N 27  
A1BEN OP3  CPR2 SING N N 28  
A1BEN CPR2 CPR1 SING N N 29  
A1BEN C48  C13  SING N N 30  
A1BEN CB6  CB5  SING Y N 31  
A1BEN NB1  CB8  SING Y N 32  
A1BEN NB1  CB2  SING Y N 33  
A1BEN CB8  CB9  DOUB Y N 34  
A1BEN C12  C13  SING N N 35  
A1BEN C12  C11  SING N N 36  
A1BEN C12  C46  SING N N 37  
A1BEN CB2  NB3  DOUB Y N 38  
A1BEN CB5  CB10 SING N N 39  
A1BEN CB5  CB4  DOUB Y N 40  
A1BEN C13  C14  SING N N 41  
A1BEN C41  C8   SING N N 42  
A1BEN O58  C57  DOUB N N 43  
A1BEN CPR1 N59  SING N N 44  
A1BEN CB9  CB4  SING Y N 45  
A1BEN CB9  NB3  SING Y N 46  
A1BEN C10  C11  SING N N 47  
A1BEN C10  C9   DOUB N N 48  
A1BEN C11  N23  DOUB N N 49  
A1BEN C57  N59  SING N N 50  
A1BEN C57  C56  SING N N 51  
A1BEN C8   C9   SING N N 52  
A1BEN C8   C7   SING N N 53  
A1BEN C9   N22  SING N N 54  
A1BEN C14  N23  SING N N 55  
A1BEN C14  C15  DOUB N N 56  
A1BEN N23  CO1  SING N N 57  
A1BEN C53  C15  SING N N 58  
A1BEN C56  C55  SING N N 59  
A1BEN C15  C16  SING N N 60  
A1BEN O39  C38  DOUB N N 61  
A1BEN N22  CO1  SING N N 62  
A1BEN N22  C6   DOUB N N 63  
A1BEN CO1  N24  SING N N 64  
A1BEN CO1  N21  SING N N 65  
A1BEN CO1  C1L  SING N N 66  
A1BEN C7   C36  SING N N 67  
A1BEN C7   C6   SING N N 68  
A1BEN C7   C37  SING N N 69  
A1BEN C16  N24  DOUB N N 70  
A1BEN C16  C17  SING N N 71  
A1BEN C6   C5   SING N N 72  
A1BEN C55  C17  SING N N 73  
A1BEN C20  C1   SING N N 74  
A1BEN C38  C37  SING N N 75  
A1BEN C38  N40  SING N N 76  
A1BEN N24  C19  SING N N 77  
A1BEN N21  C1   SING N N 78  
A1BEN N21  C4   SING N N 79  
A1BEN C17  C18  SING N N 80  
A1BEN C17  C54  SING N N 81  
A1BEN C1L  C2L  TRIP N N 82  
A1BEN O33  C32  DOUB N N 83  
A1BEN C5   C4   DOUB N N 84  
A1BEN C5   C35  SING N N 85  
A1BEN C4L  C5L  DOUB Y N 86  
A1BEN C4L  C3L  SING Y N 87  
A1BEN C1   C19  SING N N 88  
A1BEN C1   C2   SING N N 89  
A1BEN O62  C61  DOUB N N 90  
A1BEN C18  C19  SING N N 91  
A1BEN C18  C60  SING N N 92  
A1BEN C4   C3   SING N N 93  
A1BEN C2L  C3L  SING N N 94  
A1BEN C30  C3   SING N N 95  
A1BEN C30  C31  SING N N 96  
A1BEN C5L  C6L  SING Y N 97  
A1BEN C32  N34  SING N N 98  
A1BEN C32  C31  SING N N 99  
A1BEN C3L  C8L  DOUB Y N 100 
A1BEN C3   C2   SING N N 101 
A1BEN C61  C60  SING N N 102 
A1BEN C61  N63  SING N N 103 
A1BEN C2   C25  SING N N 104 
A1BEN C2   C26  SING N N 105 
A1BEN O11L N9L  SING N N 106 
A1BEN C6L  N9L  SING N N 107 
A1BEN C6L  C7L  DOUB Y N 108 
A1BEN C8L  C7L  SING Y N 109 
A1BEN N9L  O10L DOUB N N 110 
A1BEN C26  C27  SING N N 111 
A1BEN C27  O28  DOUB N N 112 
A1BEN C27  N29  SING N N 113 
A1BEN C3   H2   SING N N 114 
A1BEN CB2  H3   SING N N 115 
A1BEN C10  H4   SING N N 116 
A1BEN C13  H6   SING N N 117 
A1BEN C18  H8   SING N N 118 
A1BEN C19  H9   SING N N 119 
A1BEN C20  H10  SING N N 120 
A1BEN C20  H11  SING N N 121 
A1BEN C20  H12  SING N N 122 
A1BEN C25  H13  SING N N 123 
A1BEN C25  H14  SING N N 124 
A1BEN C25  H15  SING N N 125 
A1BEN C26  H16  SING N N 126 
A1BEN C26  H17  SING N N 127 
A1BEN C30  H18  SING N N 128 
A1BEN C30  H19  SING N N 129 
A1BEN C31  H20  SING N N 130 
A1BEN C31  H21  SING N N 131 
A1BEN C35  H22  SING N N 132 
A1BEN C35  H23  SING N N 133 
A1BEN C35  H24  SING N N 134 
A1BEN C36  H25  SING N N 135 
A1BEN C36  H26  SING N N 136 
A1BEN C36  H27  SING N N 137 
A1BEN C37  H28  SING N N 138 
A1BEN C37  H29  SING N N 139 
A1BEN C41  H30  SING N N 140 
A1BEN C41  H31  SING N N 141 
A1BEN C42  H32  SING N N 142 
A1BEN C42  H33  SING N N 143 
A1BEN C46  H34  SING N N 144 
A1BEN C46  H35  SING N N 145 
A1BEN C46  H36  SING N N 146 
A1BEN C47  H37  SING N N 147 
A1BEN C47  H38  SING N N 148 
A1BEN C47  H39  SING N N 149 
A1BEN C48  H40  SING N N 150 
A1BEN C48  H41  SING N N 151 
A1BEN C49  H42  SING N N 152 
A1BEN C49  H43  SING N N 153 
A1BEN C4L  H44  SING N N 154 
A1BEN C53  H45  SING N N 155 
A1BEN C53  H46  SING N N 156 
A1BEN C53  H47  SING N N 157 
A1BEN C54  H48  SING N N 158 
A1BEN C54  H49  SING N N 159 
A1BEN C54  H50  SING N N 160 
A1BEN C55  H51  SING N N 161 
A1BEN C55  H52  SING N N 162 
A1BEN C56  H53  SING N N 163 
A1BEN C56  H54  SING N N 164 
A1BEN C5L  H55  SING N N 165 
A1BEN C60  H56  SING N N 166 
A1BEN C60  H57  SING N N 167 
A1BEN C7L  H58  SING N N 168 
A1BEN C8   H59  SING N N 169 
A1BEN C8L  H60  SING N N 170 
A1BEN CB4  H61  SING N N 171 
A1BEN CB7  H62  SING N N 172 
A1BEN CR1  H63  SING N N 173 
A1BEN CR2  H64  SING N N 174 
A1BEN CR3  H65  SING N N 175 
A1BEN CR4  H66  SING N N 176 
A1BEN CR5  H67  SING N N 177 
A1BEN CR5  H68  SING N N 178 
A1BEN N29  H69  SING N N 179 
A1BEN N29  H70  SING N N 180 
A1BEN N34  H71  SING N N 181 
A1BEN N34  H72  SING N N 182 
A1BEN N40  H73  SING N N 183 
A1BEN N40  H74  SING N N 184 
A1BEN N45  H75  SING N N 185 
A1BEN N45  H76  SING N N 186 
A1BEN N52  H77  SING N N 187 
A1BEN N52  H78  SING N N 188 
A1BEN N59  H79  SING N N 189 
A1BEN N63  H80  SING N N 190 
A1BEN N63  H81  SING N N 191 
A1BEN OP5  H82  SING N N 192 
A1BEN OR7  H83  SING N N 193 
A1BEN OR8  H84  SING N N 194 
A1BEN CB10 H85  SING N N 195 
A1BEN CB10 H86  SING N N 196 
A1BEN CB10 H87  SING N N 197 
A1BEN CB11 H88  SING N N 198 
A1BEN CB11 H89  SING N N 199 
A1BEN CB11 H90  SING N N 200 
A1BEN CPR1 H91  SING N N 201 
A1BEN CPR1 H92  SING N N 202 
A1BEN CPR2 H93  SING N N 203 
A1BEN CPR3 H94  SING N N 204 
A1BEN CPR3 H95  SING N N 205 
A1BEN CPR3 H96  SING N N 206 
# 
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 
A1BEN InChI            InChI                1.06    "InChI=1S/C62H90N13O14P.C8H4NO2.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;1-2-7-3-5-8(6-4-7)9(10)11;/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);3-6H;/q;;+1/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1" 
A1BEN InChIKey         InChI                1.06    MPUKNCBQOVANJZ-WZHZPDAFSA-M                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
A1BEN SMILES_CANONICAL CACTVS               3.385   "C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1C(=C3N=C(C=C4N=C(C(=C5[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)[N@@]5[Co]C#Cc6ccc(cc6)[N+]([O-])=O)C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)C(C)(C)[C@@H]3CCC(N)=O)C)O[P](O)(=O)O[C@H]7[C@@H](O)[C@H](O[C@@H]7CO)n8cnc9cc(C)c(C)cc89"                                                                                                                                                                                                                                                                                                     
A1BEN SMILES           CACTVS               3.385   "C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2N=C1C(=C3N=C(C=C4N=C(C(=C5[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]2(C)[N]5[Co]C#Cc6ccc(cc6)[N+]([O-])=O)C)[C](C)(CC(N)=O)[CH]4CCC(N)=O)C(C)(C)[CH]3CCC(N)=O)C)O[P](O)(=O)O[CH]7[CH](O)[CH](O[CH]7CO)n8cnc9cc(C)c(C)cc89"                                                                                                                                                                                                                                                                                                                             
A1BEN 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([N@]76)([N]5=C4C(=C2[C@H](C1(C)C)CCC(=O)N)C)C#Cc1ccc(cc1)[N+](=O)[O-])[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"                                                                                                                                                                                                                                                                                         
A1BEN 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#Cc1ccc(cc1)[N+](=O)[O-])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           A1BEN 
_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        "[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2~{R})-1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R},22~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5,7,10,10,15,17,20,21-octamethyl-1-[2-(4-nitrophenyl)ethynyl]-2$l^{4},22,23$l^{4},24$l^{4}-tetraza-1$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-5-yl]propanoylamino]propan-2-yl] hydrogen phosphate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1BEN "Create component"   2024-10-31 RCSB 
A1BEN "Other modification" 2024-11-01 RCSB 
A1BEN "Modify charge"      2024-12-09 RCSB 
A1BEN "Initial release"    2025-09-24 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1BEN 
_pdbx_chem_comp_synonyms.name         "[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2~{R})-1-[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)-1-[2-[4-[$l^{1}-oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]ethynyl]-5,7,10,10,15,17,20,21-octamethyl-2$l^{4},22,23$l^{4},24$l^{4}-tetraza-1$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-5-yl]propanoylamino]propan-2-yl] hydrogen phosphate" 
_pdbx_chem_comp_synonyms.provenance   PDB 
_pdbx_chem_comp_synonyms.type         ? 
# 
