data_G0B
# 
_chem_comp.id                                    G0B 
_chem_comp.name                                  
"(1S,2R,3S,4R,6S)-4,6-bis{[amino(iminio)methyl]amino}-2-{[3-O-(2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-L-glucopyranosyl)-beta-D-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-L-glucopyranoside" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C29 H64 N18 O13" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    6 
_chem_comp.pdbx_initial_date                     2007-11-13 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        872.931 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     G0B 
_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        2JUK 
_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 
G0B C1   C1   C 0 1 N N R 2.311  3.476  2.322  -3.407 -1.913 0.634  C1   G0B 1   
G0B O18  O18  O 0 1 N N N 1.139  3.638  1.543  -3.546 -0.499 0.482  O18  G0B 2   
G0B C2   C2   C 0 1 N N S 3.200  4.702  2.111  -3.948 -2.336 2.002  C2   G0B 3   
G0B N8   N8   N 0 1 N N N 2.487  5.934  2.526  -5.378 -2.027 2.080  N8   G0B 4   
G0B C3   C3   C 0 1 N N S 4.489  4.522  2.905  -3.739 -3.843 2.181  C3   G0B 5   
G0B O16  O16  O 0 1 N N N 5.412  5.544  2.503  -4.177 -4.235 3.484  O16  G0B 6   
G0B C4   C4   C 0 1 N N R 5.136  3.178  2.607  -2.250 -4.164 2.020  C4   G0B 7   
G0B O17  O17  O 0 1 N N N 6.183  2.984  3.569  -2.054 -5.577 2.113  O17  G0B 8   
G0B C5   C5   C 0 1 N N S 4.131  2.041  2.766  -1.775 -3.671 0.651  C5   G0B 9   
G0B O7   O7   O 0 1 N N N 3.023  2.319  1.924  -2.026 -2.268 0.538  O7   G0B 10  
G0B C6   C6   C 0 1 N N N 4.661  0.680  2.336  -0.275 -3.934 0.507  C6   G0B 11  
G0B C19  C19  C 0 1 N N R -1.872 2.110  0.560  -4.165 2.745  -0.603 C19  G0B 12  
G0B N25  N25  N 0 1 N N N -2.182 1.440  -0.712 -4.787 3.822  0.172  N25  G0B 13  
G0B C24  C24  C 0 1 N N S -0.760 1.404  1.336  -2.891 2.278  0.105  C24  G0B 14  
G0B C23  C23  C 0 1 N N R -0.473 2.170  2.622  -2.242 1.153  -0.704 C23  G0B 15  
G0B O34  O34  O 0 1 N N N 0.537  1.496  3.346  -1.052 0.717  -0.044 O34  G0B 16  
G0B C22  C22  C 0 1 N N S -0.040 3.606  2.335  -3.218 -0.019 -0.823 C22  G0B 17  
G0B C21  C21  C 0 1 N N S -1.142 4.294  1.544  -4.492 0.448  -1.530 C21  G0B 18  
G0B N29  N29  N 0 1 N N N -0.746 5.668  1.218  -5.427 -0.674 -1.644 N29  G0B 19  
G0B C20  C20  C 0 1 N N N -1.469 3.544  0.262  -5.141 1.573  -0.721 C20  G0B 20  
G0B C35  C35  C 0 1 N N S 0.219  1.405  4.724  0.126  1.421  -0.443 C35  G0B 21  
G0B C36  C36  C 0 1 N N S 1.326  0.629  5.423  1.342  0.945  0.381  C36  G0B 22  
G0B C37  C37  C 0 1 N N S 2.100  1.698  6.148  2.509  0.955  -0.632 C37  G0B 23  
G0B C38  C38  C 0 1 N N R 0.989  2.659  6.510  1.860  1.436  -1.948 C38  G0B 24  
G0B O40  O40  O 0 1 N N N 0.163  2.686  5.350  0.459  1.107  -1.813 O40  G0B 25  
G0B C39  C39  C 0 1 N N N 1.453  4.069  6.853  2.468  0.700  -3.143 C39  G0B 26  
G0B C47  C47  C 0 1 N N R 6.487  2.439  8.490  7.339  0.760  1.099  C47  G0B 27  
G0B C46  C46  C 0 1 N N S 6.288  0.943  8.312  6.557  1.718  2.002  C46  G0B 28  
G0B C45  C45  C 0 1 N N S 4.804  0.612  8.306  5.434  2.367  1.187  C45  G0B 29  
G0B C44  C44  C 0 1 N N R 4.095  1.473  7.268  4.544  1.270  0.595  C44  G0B 30  
G0B O43  O43  O 0 1 N N N 2.719  1.159  7.299  3.527  1.866  -0.213 O43  G0B 31  
G0B C48  C48  C 0 1 N N S 5.670  3.211  7.455  6.377  -0.275 0.510  C48  G0B 32  
G0B O50  O50  O 0 1 N N N 4.309  2.835  7.594  5.340  0.396  -0.209 O50  G0B 33  
G0B C49  C49  C 0 1 N N N 5.754  4.725  7.603  7.140  -1.199 -0.440 C49  G0B 34  
G0B N12  N12  N 0 1 N N N 5.794  0.224  3.161  0.180  -3.461 -0.803 N12  G0B 35  
G0B O41  O41  O 0 1 N N N 2.169  -0.015 4.456  1.122  -0.376 0.882  O41  G0B 36  
G0B O59  O59  O 0 1 N N N 6.887  0.272  9.431  7.434  2.731  2.498  O59  G0B 37  
G0B O60  O60  O 0 1 N N N 7.871  2.738  8.257  8.345  0.095  1.867  O60  G0B 38  
G0B O42  O42  O 0 1 N N N 2.077  4.628  5.693  1.939  1.240  -4.355 O42  G0B 39  
G0B O33  O33  O 0 1 N N N -1.218 0.100  1.721  -1.979 3.373  0.215  O33  G0B 40  
G0B N55  N55  N 0 1 N N N 4.770  5.386  6.729  6.219  -2.189 -1.004 N55  G0B 41  
G0B N51  N51  N 0 1 N N N 4.603  -0.825 8.028  4.633  3.231  2.058  N51  G0B 42  
G0B C9   C9   C 0 1 N N N 2.778  7.175  2.128  -5.787 -0.776 2.451  C9   G0B 43  
G0B N10  N10  N 0 1 N N N 2.049  8.193  2.563  -4.886 0.161  2.742  N10  G0B 44  
G0B N11  N11  N 1 1 N N N 3.784  7.425  1.305  -7.087 -0.495 2.522  N11  G0B 45  
G0B C13  C13  C 0 1 N N N 5.727  -0.701 4.117  1.495  -3.592 -1.159 C13  G0B 46  
G0B N14  N14  N 1 1 N N N 4.581  -1.267 4.462  2.361  -4.149 -0.315 N14  G0B 47  
G0B N15  N15  N 0 1 N N N 6.830  -1.072 4.747  1.908  -3.163 -2.350 N15  G0B 48  
G0B C26  C26  C 0 1 N N N -2.992 0.393  -0.853 -5.598 4.731  -0.450 C26  G0B 49  
G0B N27  N27  N 1 1 N N N -3.270 -0.059 -2.069 -6.163 5.710  0.254  N27  G0B 50  
G0B N28  N28  N 0 1 N N N -3.532 -0.213 0.198  -5.823 4.637  -1.760 N28  G0B 51  
G0B C30  C30  C 0 1 N N N -1.603 6.669  1.024  -6.368 -0.683 -2.636 C30  G0B 52  
G0B N31  N31  N 1 1 N N N -1.140 7.875  0.737  -7.217 -1.703 -2.740 N31  G0B 53  
G0B N32  N32  N 0 1 N N N -2.915 6.489  1.110  -6.434 0.329  -3.500 N32  G0B 54  
G0B C52  C52  C 0 1 N N N 3.691  -1.600 8.612  3.932  4.278  1.526  C52  G0B 55  
G0B N53  N53  N 0 1 N N N 2.840  -1.124 9.511  3.978  4.513  0.215  N53  G0B 56  
G0B N54  N54  N 1 1 N N N 3.631  -2.880 8.290  3.204  5.063  2.318  N54  G0B 57  
G0B C56  C56  C 0 1 N N N 4.874  6.630  6.275  6.679  -3.128 -1.886 C56  G0B 58  
G0B N57  N57  N 1 1 N N N 3.909  7.129  5.517  5.842  -4.027 -2.399 N57  G0B 59  
G0B N58  N58  N 0 1 N N N 5.930  7.382  6.568  7.965  -3.141 -2.233 N58  G0B 60  
G0B HN58 HN58 H 0 0 N N N 6.063  8.323  6.256  8.575  -2.486 -1.860 HN58 G0B 61  
G0B HN5A HN5A H 0 0 N N N 6.573  6.877  7.144  8.292  -3.807 -2.859 HN5A G0B 62  
G0B HN55 HN55 H 0 0 N N N 3.964  4.860  6.457  5.282  -2.179 -0.751 HN55 G0B 63  
G0B H49  H49  H 0 1 N N N 5.547  4.997  8.649  7.578  -0.611 -1.246 H49  G0B 64  
G0B H49A H49A H 0 0 N N N 6.763  5.055  7.315  7.932  -1.711 0.108  H49A G0B 65  
G0B H48  H48  H 0 1 N N N 6.087  2.958  6.469  5.938  -0.863 1.316  H48  G0B 66  
G0B H44  H44  H 0 1 N N N 4.483  1.285  6.256  4.082  0.702  1.401  H44  G0B 67  
G0B H37  H37  H 0 1 N N N 2.917  2.157  5.572  2.919  -0.048 -0.753 H37  G0B 68  
G0B H36  H36  H 0 1 N N N 0.944  -0.159 6.089  1.542  1.635  1.201  H36  G0B 69  
G0B HO41 HO41 H 0 0 N N N 1.680  -0.157 3.654  0.363  -0.449 1.477  HO41 G0B 70  
G0B H35  H35  H 0 1 N N N -0.764 0.918  4.804  -0.016 2.495  -0.324 H35  G0B 71  
G0B H38  H38  H 0 1 N N N 0.482  2.318  7.425  1.987  2.513  -2.062 H38  G0B 72  
G0B H39  H39  H 0 1 N N N 2.165  4.041  7.691  3.551  0.823  -3.132 H39  G0B 73  
G0B H39A H39A H 0 0 N N N 0.591  4.685  7.148  2.222  -0.360 -3.080 H39A G0B 74  
G0B HO42 HO42 H 0 0 N N N 1.427  4.752  5.012  2.282  0.820  -5.156 HO42 G0B 75  
G0B H23  H23  H 0 1 N N N -1.398 2.215  3.216  -1.991 1.520  -1.700 H23  G0B 76  
G0B H24  H24  H 0 1 N N N 0.138  1.346  0.703  -3.142 1.912  1.100  H24  G0B 77  
G0B HO33 HO33 H 0 0 N N N -1.319 -0.442 0.947  -2.325 4.124  0.717  HO33 G0B 78  
G0B HN25 HN25 H 0 0 N N N -1.749 1.800  -1.538 -4.623 3.890  1.125  HN25 G0B 79  
G0B HN28 HN28 H 0 0 N N N -3.240 0.228  1.047  -6.398 5.282  -2.200 HN28 G0B 80  
G0B HN2A HN2A H 0 0 N N N -4.146 -1.001 0.148  -5.411 3.924  -2.272 HN2A G0B 81  
G0B H20  H20  H 0 1 N N N -2.309 4.049  -0.237 -5.392 1.207  0.274  H20  G0B 82  
G0B H20A H20A H 0 0 N N N -0.580 3.539  -0.386 -6.049 1.906  -1.225 H20A G0B 83  
G0B H21  H21  H 0 1 N N N -2.043 4.304  2.174  -4.241 0.814  -2.526 H21  G0B 84  
G0B HN29 HN29 H 0 0 N N N 0.231  5.866  1.136  -5.378 -1.411 -1.015 HN29 G0B 85  
G0B HN32 HN32 H 0 0 N N N -3.126 5.537  1.331  -7.101 0.323  -4.204 HN32 G0B 86  
G0B HN3A HN3A H 0 0 N N N -3.598 7.206  0.973  -5.815 1.072  -3.425 HN3A G0B 87  
G0B H1   H1   H 0 1 N N N 2.030  3.368  3.380  -3.967 -2.420 -0.152 H1   G0B 88  
G0B H5   H5   H 0 1 N N N 3.884  1.989  3.837  -2.314 -4.201 -0.134 H5   G0B 89  
G0B H6   H6   H 0 1 N N N 3.847  -0.054 2.427  0.265  -3.404 1.291  H6   G0B 90  
G0B H6A  H6A  H 0 1 N N N 5.019  0.773  1.300  -0.083 -5.004 0.593  H6A  G0B 91  
G0B HN12 HN12 H 0 0 N N N 6.685  0.643  2.989  -0.451 -3.056 -1.419 HN12 G0B 92  
G0B HN15 HN15 H 0 0 N N N 7.626  -0.576 4.400  2.840  -3.255 -2.602 HN15 G0B 93  
G0B HN1A HN1A H 0 0 N N N 6.863  -1.758 5.474  1.278  -2.757 -2.965 HN1A G0B 94  
G0B H4   H4   H 0 1 N N N 5.513  3.175  1.574  -1.683 -3.664 2.805  H4   G0B 95  
G0B HO17 HO17 H 0 0 N N N 7.020  2.941  3.122  -2.338 -5.959 2.954  HO17 G0B 96  
G0B H3   H3   H 0 1 N N N 4.249  4.579  3.977  -4.312 -4.383 1.426  H3   G0B 97  
G0B HO16 HO16 H 0 0 N N N 5.616  6.098  3.247  -4.074 -5.179 3.666  HO16 G0B 98  
G0B H2   H2   H 0 1 N N N 3.447  4.803  1.044  -3.415 -1.798 2.786  H2   G0B 99  
G0B HN8  HN8  H 0 1 N N N 1.721  5.826  3.160  -6.034 -2.709 1.868  HN8  G0B 100 
G0B HN11 HN11 H 0 0 N N N 3.857  8.404  1.114  -7.378 0.392  2.786  HN11 G0B 101 
G0B HN1B HN1B H 0 0 N N N 4.391  6.727  0.924  -7.743 -1.177 2.310  HN1B G0B 102 
G0B H45  H45  H 0 1 N N N 4.376  0.829  9.296  5.865  2.961  0.382  H45  G0B 103 
G0B HN51 HN51 H 0 0 N N N 5.199  -1.250 7.347  4.599  3.060  3.012  HN51 G0B 104 
G0B HN54 HN54 H 0 0 N N N 4.229  -3.329 7.626  3.171  4.893  3.272  HN54 G0B 105 
G0B HN5B HN5B H 0 0 N N N 2.904  -3.338 8.802  2.708  5.806  1.940  HN5B G0B 106 
G0B H46  H46  H 0 1 N N N 6.743  0.625  7.363  6.129  1.164  2.838  H46  G0B 107 
G0B HO59 HO59 H 0 0 N N N 7.019  -0.644 9.218  8.174  2.390  3.019  HO59 G0B 108 
G0B H47  H47  H 0 1 N N N 6.170  2.726  9.504  7.809  1.321  0.292  H47  G0B 109 
G0B HO60 HO60 H 0 0 N N N 8.028  2.804  7.322  8.989  0.692  2.272  HO60 G0B 110 
G0B H22  H22  H 0 1 N N N 0.152  4.108  3.295  -2.755 -0.820 -1.399 H22  G0B 111 
G0B H19  H19  H 0 1 N N N -2.769 2.079  1.195  -3.914 3.111  -1.598 H19  G0B 112 
G0B HN10 HN10 H 0 0 N N N 2.204  9.149  2.312  -3.940 -0.044 2.691  HN10 G0B 113 
G0B HN14 HN14 H 0 0 N N N 4.716  -1.936 5.193  3.293  -4.242 -0.567 HN14 G0B 114 
G0B HN27 HN27 H 0 0 N N N -3.887 -0.844 -2.020 -6.000 5.779  1.208  HN27 G0B 115 
G0B HN31 HN31 H 0 0 N N N -0.171 8.107  0.650  -7.169 -2.440 -2.111 HN31 G0B 116 
G0B HN53 HN53 H 0 0 N N N 2.140  -1.667 9.976  3.482  5.255  -0.162 HN53 G0B 117 
G0B HN57 HN57 H 0 0 N N N 4.121  8.069  5.250  4.905  -4.017 -2.146 HN57 G0B 118 
G0B HN3B HN3B H 0 0 N N N -1.893 8.522  0.619  -7.885 -1.709 -3.444 HN3B G0B 119 
G0B HN2B HN2B H 0 0 N N N -2.912 0.331  -2.917 -6.739 6.355  -0.187 HN2B G0B 120 
G0B HN5C HN5C H 0 0 N N N 3.083  6.634  5.249  6.168  -4.693 -3.024 HN5C G0B 121 
G0B HN1C HN1C H 0 0 N N N 1.324  7.879  3.175  -5.177 1.048  3.006  HN1C G0B 122 
G0B HN5D HN5D H 0 0 N N N 2.995  -0.147 9.660  4.509  3.941  -0.361 HN5D G0B 123 
G0B HN1D HN1D H 0 0 N N N 3.697  -1.054 4.046  2.060  -4.462 0.553  HN1D G0B 124 
# 
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 
G0B O18  C1   SING N N 1   
G0B O7   C1   SING N N 2   
G0B C2   C1   SING N N 3   
G0B C1   H1   SING N N 4   
G0B O18  C22  SING N N 5   
G0B H2   C2   SING N N 6   
G0B C2   N8   SING N N 7   
G0B C2   C3   SING N N 8   
G0B C9   N8   SING N N 9   
G0B N8   HN8  SING N N 10  
G0B O16  C3   SING N N 11  
G0B C4   C3   SING N N 12  
G0B C3   H3   SING N N 13  
G0B O16  HO16 SING N N 14  
G0B H4   C4   SING N N 15  
G0B C4   C5   SING N N 16  
G0B C4   O17  SING N N 17  
G0B HO17 O17  SING N N 18  
G0B O7   C5   SING N N 19  
G0B C6   C5   SING N N 20  
G0B C5   H5   SING N N 21  
G0B H6   C6   SING N N 22  
G0B C6   H6A  SING N N 23  
G0B C6   N12  SING N N 24  
G0B N25  C19  SING N N 25  
G0B C20  C19  SING N N 26  
G0B C19  H19  SING N N 27  
G0B C19  C24  SING N N 28  
G0B HN25 N25  SING N N 29  
G0B C26  N25  SING N N 30  
G0B H24  C24  SING N N 31  
G0B C24  O33  SING N N 32  
G0B C24  C23  SING N N 33  
G0B C22  C23  SING N N 34  
G0B C23  H23  SING N N 35  
G0B C23  O34  SING N N 36  
G0B O34  C35  SING N N 37  
G0B C21  C22  SING N N 38  
G0B C22  H22  SING N N 39  
G0B C20  C21  SING N N 40  
G0B N29  C21  SING N N 41  
G0B C21  H21  SING N N 42  
G0B C30  N29  SING N N 43  
G0B HN29 N29  SING N N 44  
G0B H20A C20  SING N N 45  
G0B H20  C20  SING N N 46  
G0B C35  H35  SING N N 47  
G0B C35  O40  SING N N 48  
G0B C35  C36  SING N N 49  
G0B O41  C36  SING N N 50  
G0B C36  H36  SING N N 51  
G0B C36  C37  SING N N 52  
G0B H37  C37  SING N N 53  
G0B C37  C38  SING N N 54  
G0B C37  O43  SING N N 55  
G0B O40  C38  SING N N 56  
G0B C38  C39  SING N N 57  
G0B C38  H38  SING N N 58  
G0B O42  C39  SING N N 59  
G0B C39  H39A SING N N 60  
G0B C39  H39  SING N N 61  
G0B C48  C47  SING N N 62  
G0B O60  C47  SING N N 63  
G0B C46  C47  SING N N 64  
G0B C47  H47  SING N N 65  
G0B H46  C46  SING N N 66  
G0B C45  C46  SING N N 67  
G0B C46  O59  SING N N 68  
G0B C44  C45  SING N N 69  
G0B N51  C45  SING N N 70  
G0B C45  H45  SING N N 71  
G0B H44  C44  SING N N 72  
G0B C44  O43  SING N N 73  
G0B C44  O50  SING N N 74  
G0B H48  C48  SING N N 75  
G0B C48  O50  SING N N 76  
G0B C48  C49  SING N N 77  
G0B N55  C49  SING N N 78  
G0B H49  C49  SING N N 79  
G0B C49  H49A SING N N 80  
G0B HN12 N12  SING N N 81  
G0B N12  C13  SING N N 82  
G0B HO41 O41  SING N N 83  
G0B O59  HO59 SING N N 84  
G0B O60  HO60 SING N N 85  
G0B HO42 O42  SING N N 86  
G0B O33  HO33 SING N N 87  
G0B C56  N55  SING N N 88  
G0B HN55 N55  SING N N 89  
G0B HN51 N51  SING N N 90  
G0B N51  C52  SING N N 91  
G0B N11  C9   DOUB N N 92  
G0B C9   N10  SING N N 93  
G0B HN1C N10  SING N N 94  
G0B N10  HN10 SING N N 95  
G0B HN11 N11  SING N N 96  
G0B HN1B N11  SING N N 97  
G0B C13  N14  DOUB N N 98  
G0B C13  N15  SING N N 99  
G0B HN14 N14  SING N N 100 
G0B N14  HN1D SING N N 101 
G0B HN15 N15  SING N N 102 
G0B N15  HN1A SING N N 103 
G0B N27  C26  DOUB N N 104 
G0B C26  N28  SING N N 105 
G0B HN27 N27  SING N N 106 
G0B HN2B N27  SING N N 107 
G0B HN28 N28  SING N N 108 
G0B N28  HN2A SING N N 109 
G0B N31  C30  DOUB N N 110 
G0B C30  N32  SING N N 111 
G0B HN3B N31  SING N N 112 
G0B HN31 N31  SING N N 113 
G0B HN32 N32  SING N N 114 
G0B N32  HN3A SING N N 115 
G0B N54  C52  DOUB N N 116 
G0B C52  N53  SING N N 117 
G0B N53  HN5D SING N N 118 
G0B N53  HN53 SING N N 119 
G0B HN5B N54  SING N N 120 
G0B N54  HN54 SING N N 121 
G0B N57  C56  DOUB N N 122 
G0B C56  N58  SING N N 123 
G0B HN57 N57  SING N N 124 
G0B HN5C N57  SING N N 125 
G0B HN5A N58  SING N N 126 
G0B N58  HN58 SING N N 127 
# 
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 
G0B SMILES           ACDLabs              10.04 O(C2C(OC1OC(CNC(=[NH2+])\N)C(O)C(O)C1NC(=[NH2+])\N)C(NC(=[NH2+])\N)CC(NC(=[NH2+])\N)C2O)C4OC(C(OC3OC(CNC(=[NH2+])\N)C(O)C(O)C3NC(=[NH2+])\N)C4O)CO 
G0B InChI            InChI                1.02b 
;InChI=1/C29H58N18O13/c30-24(31)42-2-7-13(50)15(52)10(46-28(38)39)21(55-7)58-18-6(45-27(36)37)1-5(44-26(34)35)12(49)20(18)60-23-17(54)19(9(4-48)57-23)59-22-11(47-29(40)41)16(53)14(51)8(56-22)3-43-25(32)33/h5-23,48-54H,1-4H2,(H4,30,31,42)(H4,32,33,43)(H4,34,35,44)(H4,36,37,45)(H4,38,39,46)(H4,40,41,47)/p+6/t5-,6+,7+,8+,9-,10+,11+,12+,13+,14+,15+,16+,17+,18+,19-,20-,21-,22-,23+/m1/s1/fC29H64N18O13/h42-47H,30-41H2/q+6
;
G0B InChIKey         InChI                1.02b PKRWVRYPYSMBDP-DANHDHDCDW 
G0B SMILES_CANONICAL CACTVS               3.341 
NC(=[NH2+])NC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]2CO)O[C@@H]3[C@@H](O)[C@@H](C[C@H](NC(N)=[NH2+])[C@@H]3O[C@H]4O[C@@H](CNC(N)=[NH2+])[C@H](O)[C@@H](O)[C@@H]4NC(N)=[NH2+])NC(N)=[NH2+])[C@@H](NC(N)=[NH2+])[C@H](O)[C@H]1O 
G0B SMILES           CACTVS               3.341 NC(=[NH2+])NC[CH]1O[CH](O[CH]2[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](C[CH](NC(N)=[NH2+])[CH]3O[CH]4O[CH](CNC(N)=[NH2+])[CH](O)[CH](O)[CH]4NC(N)=[NH2+])NC(N)=[NH2+])[CH](NC(N)=[NH2+])[CH](O)[CH]1O 
G0B SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 
C1[C@H]([C@@H]([C@H]([C@H]([C@H]1NC(=[NH2+])N)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O)O)NC(=[NH2+])N 
G0B SMILES           "OpenEye OEToolkits" 1.5.0 C1C(C(C(C(C1NC(=[NH2+])N)OC2C(C(C(C(O2)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O)O)NC(=[NH2+])N 
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
G0B "SYSTEMATIC NAME" ACDLabs              10.04 
"(1S,2R,3S,4R,6S)-4,6-bis{[amino(iminio)methyl]amino}-2-{[3-O-(2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-L-glucopyranosyl)-beta-D-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-L-glucopyranoside" 
G0B "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;[amino-[[(2R,3S,4S,5R,6S)-6-[[(amino-azaniumylidene-methyl)amino]methyl]-2-[(1S,2R,3S,4R,6S)-4,6-bis[(amino-azaniumylidene-methyl)amino]-2-[(2S,3S,4S,5R)-4-[(2R,3S,4S,5R,6S)-3-[(amino-azaniumylidene-methyl)amino]-6-[[(amino-azaniumylidene-methyl)amino]methyl]-4,5-dihydroxy-oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-cyclohexyl]oxy-4,5-dihydroxy-oxan-3-yl]amino]methylidene]azanium
;
# 
