data_SVR
# 
_chem_comp.id                                    SVR 
_chem_comp.name                                  
;8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID
;
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAD 
_chem_comp.formula                               "C51 H40 N6 O23 S6" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         SURAMIN 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2004-12-15 
_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                        1297.280 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     SVR 
_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        1Y4L 
_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 
SVR O35  O35  O 0 1 N N N 15.262 13.045 8.858  -13.475 1.248  -0.174 O35  SVR 1   
SVR S31  S31  S 0 1 N N N 14.681 11.897 8.108  -12.706 2.383  -0.835 S31  SVR 2   
SVR O36  O36  O 0 1 N N N 13.206 12.065 8.028  -12.822 3.492  0.046  O36  SVR 3   
SVR O34  O34  O 0 1 N N N 15.287 11.762 6.753  -13.099 2.372  -2.200 O34  SVR 4   
SVR C22  C22  C 0 1 Y N N 15.015 10.602 8.946  -11.000 1.940  -0.824 C22  SVR 5   
SVR C18  C18  C 0 1 Y N N 14.286 9.447  8.755  -10.203 2.305  0.258  C18  SVR 6   
SVR C11  C11  C 0 1 Y N N 14.575 8.317  9.497  -8.881  1.979  0.296  C11  SVR 7   
SVR S17  S17  S 0 1 N N N 13.639 7.054  9.128  -7.892  2.453  1.675  S17  SVR 8   
SVR O23  O23  O 0 1 N N N 14.431 5.970  8.502  -6.895  3.493  1.183  O23  SVR 9   
SVR O24  O24  O 0 1 N N N 12.940 6.502  10.322 -8.766  3.142  2.558  O24  SVR 10  
SVR O25  O25  O 0 1 N N N 12.634 7.531  8.146  -7.121  1.307  2.009  O25  SVR 11  
SVR C16  C16  C 0 1 Y N N 16.042 10.677 9.865  -10.482 1.245  -1.874 C16  SVR 12  
SVR C10  C10  C 0 1 Y N N 16.368 9.575  10.623 -9.122  0.890  -1.869 C10  SVR 13  
SVR C15  C15  C 0 1 Y N N 17.420 9.713  11.552 -8.552  0.174  -2.935 C15  SVR 14  
SVR S21  S21  S 0 1 N N N 18.281 11.083 11.767 -9.547  -0.296 -4.312 S21  SVR 15  
SVR O28  O28  O 0 1 N N N 18.885 11.471 10.473 -9.677  0.922  -5.216 O28  SVR 16  
SVR O29  O29  O 0 1 N N N 17.458 12.207 12.264 -8.774  -1.239 -5.043 O29  SVR 17  
SVR O30  O30  O 0 1 N N N 19.344 10.784 12.743 -10.847 -0.528 -3.788 O30  SVR 18  
SVR C12  C12  C 0 1 Y N N 17.735 8.598  12.318 -7.232  -0.156 -2.905 C12  SVR 19  
SVR C7   C7   C 0 1 Y N N 17.031 7.418  12.161 -6.426  0.204  -1.829 C7   SVR 20  
SVR C6   C6   C 0 1 Y N N 15.632 8.375  10.449 -8.313  1.258  -0.766 C6   SVR 21  
SVR C3   C3   C 0 1 Y N N 16.002 7.276  11.234 -6.946  0.907  -0.763 C3   SVR 22  
SVR N1   N1   N 0 1 N N N 15.319 6.048  11.200 -6.130  1.264  0.311  N1   SVR 23  
SVR C2   C2   C 0 1 N N N 15.837 4.832  11.106 -5.438  0.316  0.975  C2   SVR 24  
SVR O4   O4   O 0 1 N N N 17.023 4.600  10.989 -5.593  -0.857 0.696  O4   SVR 25  
SVR C5   C5   C 0 1 Y N N 14.891 3.681  11.156 -4.492  0.704  2.042  C5   SVR 26  
SVR C8   C8   C 0 1 Y N N 13.902 3.682  12.136 -3.762  -0.273 2.719  C8   SVR 27  
SVR C9   C9   C 0 1 Y N N 15.026 2.622  10.266 -4.325  2.050  2.376  C9   SVR 28  
SVR C14  C14  C 0 1 Y N N 14.149 1.550  10.344 -3.440  2.409  3.372  C14  SVR 29  
SVR C20  C20  C 0 1 Y N N 13.154 1.549  11.316 -2.721  1.440  4.046  C20  SVR 30  
SVR C27  C27  C 0 1 N N N 12.204 0.393  11.399 -1.757  1.841  5.133  C27  SVR 31  
SVR C13  C13  C 0 1 Y N N 13.027 2.606  12.206 -2.875  0.098  3.718  C13  SVR 32  
SVR N19  N19  N 0 1 N N N 12.015 2.575  13.170 -2.141  -0.878 4.400  N19  SVR 33  
SVR C26  C26  C 0 1 N N N 10.772 2.923  12.844 -1.763  -2.004 3.763  C26  SVR 34  
SVR O32  O32  O 0 1 N N N 10.467 3.277  11.717 -1.969  -2.126 2.571  O32  SVR 35  
SVR C33  C33  C 0 1 Y N N 9.717  2.857  13.910 -1.099  -3.090 4.514  C33  SVR 36  
SVR C37  C37  C 0 1 Y N N 8.370  2.948  13.573 -0.702  -4.255 3.857  C37  SVR 37  
SVR C38  C38  C 0 1 Y N N 10.093 2.692  15.240 -0.861  -2.952 5.883  C38  SVR 38  
SVR C40  C40  C 0 1 Y N N 9.120  2.624  16.231 -0.241  -3.967 6.582  C40  SVR 39  
SVR C42  C42  C 0 1 Y N N 7.774  2.717  15.898 0.146   -5.124 5.931  C42  SVR 40  
SVR C39  C39  C 0 1 Y N N 7.400  2.873  14.569 -0.085  -5.271 4.569  C39  SVR 41  
SVR N41  N41  N 0 1 N N N 6.038  2.977  14.269 0.309   -6.444 3.915  N41  SVR 42  
SVR C43  C43  C 0 1 N N N 5.595  3.542  13.147 0.737   -6.392 2.638  C43  SVR 43  
SVR O45  O45  O 0 1 N N N 6.355  3.992  12.302 0.879   -5.317 2.087  O45  SVR 44  
SVR N44  N44  N 0 1 N N N 4.277  3.590  12.976 1.008   -7.531 1.971  N44  SVR 45  
SVR C46  C46  C 0 1 Y N N 3.750  4.186  11.830 1.574   -7.476 0.692  C46  SVR 46  
SVR C47  C47  C 0 1 Y N N 3.825  3.578  10.583 2.399   -6.418 0.344  C47  SVR 47  
SVR C48  C48  C 0 1 Y N N 3.157  5.435  11.974 1.314   -8.486 -0.227 C48  SVR 48  
SVR C50  C50  C 0 1 Y N N 2.623  6.091  10.876 1.871   -8.436 -1.492 C50  SVR 49  
SVR C52  C52  C 0 1 Y N N 2.689  5.482  9.634  2.688   -7.383 -1.850 C52  SVR 50  
SVR C49  C49  C 0 1 Y N N 3.297  4.241  9.485  2.955   -6.364 -0.934 C49  SVR 51  
SVR C51  C51  C 0 1 N N N 3.303  3.665  8.108  3.830   -5.235 -1.315 C51  SVR 52  
SVR O54  O54  O 0 1 N N N 3.979  2.704  7.786  4.062   -4.349 -0.516 O54  SVR 53  
SVR N53  N53  N 0 1 N N N 2.490  4.331  7.315  4.371   -5.188 -2.548 N53  SVR 54  
SVR C55  C55  C 0 1 Y N N 2.168  4.117  5.981  5.212   -4.128 -2.904 C55  SVR 55  
SVR C56  C56  C 0 1 Y N N 2.722  3.148  5.150  5.075   -2.897 -2.281 C56  SVR 56  
SVR C57  C57  C 0 1 Y N N 1.182  4.962  5.542  6.189   -4.311 -3.874 C57  SVR 57  
SVR C59  C59  C 0 1 N N N 0.643  5.974  6.515  6.338   -5.652 -4.546 C59  SVR 58  
SVR C60  C60  C 0 1 Y N N 0.711  4.889  4.247  7.022   -3.266 -4.230 C60  SVR 59  
SVR C62  C62  C 0 1 Y N N 1.257  3.941  3.401  6.891   -2.036 -3.619 C62  SVR 60  
SVR C58  C58  C 0 1 Y N N 2.271  3.097  3.833  5.915   -1.843 -2.639 C58  SVR 61  
SVR C61  C61  C 0 1 N N N 2.730  2.079  2.844  5.773   -0.525 -1.984 C61  SVR 62  
SVR O64  O64  O 0 1 N N N 2.965  2.359  1.679  4.850   -0.323 -1.219 O64  SVR 63  
SVR N63  N63  N 0 1 N N N 2.785  0.857  3.355  6.668   0.451  -2.233 N63  SVR 64  
SVR C65  C65  C 0 1 Y N N 3.061  -0.319 2.669  6.489   1.719  -1.678 C65  SVR 65  
SVR C67  C67  C 0 1 Y N N 1.987  -0.654 1.866  5.284   2.374  -1.813 C67  SVR 66  
SVR C70  C70  C 0 1 Y N N 1.984  -1.794 1.103  5.096   3.639  -1.263 C70  SVR 67  
SVR C71  C71  C 0 1 Y N N 3.073  -2.628 1.162  6.094   4.262  -0.578 C71  SVR 68  
SVR S75  S75  S 0 1 N N N 3.009  -3.941 0.263  5.825   5.864  0.107  S75  SVR 69  
SVR O80  O80  O 0 1 N N N 4.259  -4.115 -0.510 6.449   6.875  -0.844 O80  SVR 70  
SVR O81  O81  O 0 1 N N N 2.808  -5.108 1.151  4.423   6.083  0.038  O81  SVR 71  
SVR O82  O82  O 0 1 N N N 1.857  -3.825 -0.660 6.608   5.913  1.292  O82  SVR 72  
SVR C66  C66  C 0 1 Y N N 4.183  -1.159 2.767  7.539   2.339  -0.967 C66  SVR 73  
SVR C68  C68  C 0 1 Y N N 4.159  -2.320 1.980  7.337   3.628  -0.416 C68  SVR 74  
SVR C72  C72  C 0 1 Y N N 5.224  -3.204 1.993  8.385   4.248  0.286  C72  SVR 75  
SVR C69  C69  C 0 1 Y N N 5.317  -0.908 3.570  8.784   1.709  -0.810 C69  SVR 76  
SVR S73  S73  S 0 1 N N N 5.500  0.370  4.524  9.059   0.109  -1.494 S73  SVR 77  
SVR O77  O77  O 0 1 N N N 5.354  1.634  3.767  9.083   0.259  -3.008 O77  SVR 78  
SVR O78  O78  O 0 1 N N N 4.506  0.329  5.628  10.383  -0.248 -1.120 O78  SVR 79  
SVR O79  O79  O 0 1 N N N 6.869  0.343  5.084  7.890   -0.643 -1.199 O79  SVR 80  
SVR C74  C74  C 0 1 Y N N 6.379  -1.816 3.565  9.776   2.340  -0.123 C74  SVR 81  
SVR C76  C76  C 0 1 Y N N 6.334  -2.959 2.777  9.577   3.606  0.423  C76  SVR 82  
SVR S83  S83  S 0 1 N N N 7.523  -4.021 2.745  10.888  4.387  1.304  S83  SVR 83  
SVR O85  O85  O 0 1 N N N 6.971  -5.318 2.287  10.758  3.983  2.766  O85  SVR 84  
SVR O86  O86  O 0 1 N N N 8.580  -3.580 1.799  12.084  3.776  0.839  O86  SVR 85  
SVR O84  O84  O 0 1 N N N 8.086  -4.176 4.107  10.606  5.779  1.262  O84  SVR 86  
SVR H34  H34  H 0 1 N N N 14.916 11.029 6.274  ?       ?      ?      H34  SVR 87  
SVR H18  H18  H 0 1 N N N 13.473 9.427  8.009  -10.639 2.856  1.078  H18  SVR 88  
SVR H25  H25  H 0 1 N N N 12.083 6.787  7.928  ?       ?      ?      H25  SVR 89  
SVR H16  H16  H 0 1 N N N 16.602 11.618 9.993  -11.112 0.969  -2.706 H16  SVR 90  
SVR H30  H30  H 0 1 N N N 19.845 11.581 12.868 ?       ?      ?      H30  SVR 91  
SVR H12  H12  H 0 1 N N N 18.551 8.650  13.057 -6.803  -0.707 -3.729 H12  SVR 92  
SVR H7   H7   H 0 1 N N N 17.300 6.558  12.798 -5.381  -0.070 -1.829 H7   SVR 93  
SVR HN1  HN1  H 0 1 N N N 14.300 6.037  11.250 -6.059  2.193  0.579  HN1  SVR 94  
SVR H8   H8   H 0 1 N N N 13.813 4.521  12.845 -3.886  -1.315 2.465  H8   SVR 95  
SVR H9   H9   H 0 1 N N N 15.823 2.632  9.503  -4.888  2.809  1.854  H9   SVR 96  
SVR H14  H14  H 0 1 N N N 14.242 0.706  9.639  -3.313  3.450  3.628  H14  SVR 97  
SVR H271 1H27 H 0 0 N N N 11.406 0.392  12.178 -2.277  1.863  6.091  H271 SVR 98  
SVR H272 2H27 H 0 0 N N N 11.726 0.252  10.401 -0.941  1.119  5.180  H272 SVR 99  
SVR H273 3H27 H 0 0 N N N 12.795 -0.547 11.494 -1.355  2.830  4.915  H273 SVR 100 
SVR H19  H19  H 0 1 N N N 12.187 2.291  14.134 -1.904  -0.744 5.331  H19  SVR 101 
SVR H37  H37  H 0 1 N N N 8.072  3.079  12.519 -0.883  -4.367 2.798  H37  SVR 102 
SVR H38  H38  H 0 1 N N N 11.160 2.615  15.508 -1.163  -2.050 6.395  H38  SVR 103 
SVR H40  H40  H 0 1 N N N 9.417  2.495  17.285 -0.059  -3.858 7.641  H40  SVR 104 
SVR H42  H42  H 0 1 N N N 7.004  2.667  16.686 0.631   -5.915 6.483  H42  SVR 105 
SVR H41  H41  H 0 1 N N N 5.584  3.448  15.051 0.275   -7.294 4.380  H41  SVR 106 
SVR H44  H44  H 0 1 N N N 3.688  3.182  13.702 0.810   -8.390 2.377  H44  SVR 107 
SVR H47  H47  H 0 1 N N N 4.295  2.587  10.466 2.602   -5.632 1.057  H47  SVR 108 
SVR H48  H48  H 0 1 N N N 3.109  5.909  12.968 0.675   -9.312 0.047  H48  SVR 109 
SVR H50  H50  H 0 1 N N N 2.152  7.082  10.988 1.665   -9.223 -2.202 H50  SVR 110 
SVR H52  H52  H 0 1 N N N 2.253  5.989  8.756  3.120   -7.348 -2.839 H52  SVR 111 
SVR H53  H53  H 0 1 N N N 2.052  5.115  7.797  4.178   -5.890 -3.190 H53  SVR 112 
SVR H56  H56  H 0 1 N N N 3.489  2.447  5.520  4.319   -2.753 -1.524 H56  SVR 113 
SVR H591 1H59 H 0 0 N N N -0.159 6.661  6.157  7.045   -6.263 -3.984 H591 SVR 114 
SVR H592 2H59 H 0 0 N N N 0.294  5.449  7.434  5.370   -6.152 -4.578 H592 SVR 115 
SVR H593 3H59 H 0 0 N N N 1.487  6.576  6.923  6.708   -5.510 -5.562 H593 SVR 116 
SVR H60  H60  H 0 1 N N N -0.081 5.571  3.896  7.777   -3.414 -4.987 H60  SVR 117 
SVR H62  H62  H 0 1 N N N 0.878  3.857  2.368  7.544   -1.222 -3.899 H62  SVR 118 
SVR H63  H63  H 0 1 N N N 2.599  0.818  4.357  7.435   0.273  -2.799 H63  SVR 119 
SVR H67  H67  H 0 1 N N N 1.105  0.008  1.833  4.477   1.901  -2.353 H67  SVR 120 
SVR H70  H70  H 0 1 N N N 1.124  -2.035 0.455  4.144   4.133  -1.383 H70  SVR 121 
SVR H82  H82  H 0 1 N N N 1.818  -4.608 -1.196 ?       ?      ?      H82  SVR 122 
SVR H72  H72  H 0 1 N N N 5.187  -4.114 1.371  8.245   5.230  0.715  H72  SVR 123 
SVR H79  H79  H 0 1 N N N 6.977  1.099  5.648  ?       ?      ?      H79  SVR 124 
SVR H74  H74  H 0 1 N N N 7.266  -1.627 4.192  10.732  1.851  0.000  H74  SVR 125 
SVR H85  H85  H 0 1 N N N 7.679  -5.950 2.267  11.481  4.416  3.241  H85  SVR 126 
# 
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 
SVR O35 S31  DOUB N N 1   
SVR S31 O36  DOUB N N 2   
SVR S31 O34  SING N N 3   
SVR S31 C22  SING N N 4   
SVR O34 H34  SING N N 5   
SVR C22 C18  DOUB Y N 6   
SVR C22 C16  SING Y N 7   
SVR C18 C11  SING Y N 8   
SVR C18 H18  SING N N 9   
SVR C11 S17  SING N N 10  
SVR C11 C6   DOUB Y N 11  
SVR S17 O23  DOUB N N 12  
SVR S17 O24  DOUB N N 13  
SVR S17 O25  SING N N 14  
SVR O25 H25  SING N N 15  
SVR C16 C10  DOUB Y N 16  
SVR C16 H16  SING N N 17  
SVR C10 C15  SING Y N 18  
SVR C10 C6   SING Y N 19  
SVR C15 S21  SING N N 20  
SVR C15 C12  DOUB Y N 21  
SVR S21 O28  DOUB N N 22  
SVR S21 O29  DOUB N N 23  
SVR S21 O30  SING N N 24  
SVR O30 H30  SING N N 25  
SVR C12 C7   SING Y N 26  
SVR C12 H12  SING N N 27  
SVR C7  C3   DOUB Y N 28  
SVR C7  H7   SING N N 29  
SVR C6  C3   SING Y N 30  
SVR C3  N1   SING N N 31  
SVR N1  C2   SING N N 32  
SVR N1  HN1  SING N N 33  
SVR C2  O4   DOUB N N 34  
SVR C2  C5   SING N N 35  
SVR C5  C8   DOUB Y N 36  
SVR C5  C9   SING Y N 37  
SVR C8  C13  SING Y N 38  
SVR C8  H8   SING N N 39  
SVR C9  C14  DOUB Y N 40  
SVR C9  H9   SING N N 41  
SVR C14 C20  SING Y N 42  
SVR C14 H14  SING N N 43  
SVR C20 C27  SING N N 44  
SVR C20 C13  DOUB Y N 45  
SVR C27 H271 SING N N 46  
SVR C27 H272 SING N N 47  
SVR C27 H273 SING N N 48  
SVR C13 N19  SING N N 49  
SVR N19 C26  SING N N 50  
SVR N19 H19  SING N N 51  
SVR C26 O32  DOUB N N 52  
SVR C26 C33  SING N N 53  
SVR C33 C37  DOUB Y N 54  
SVR C33 C38  SING Y N 55  
SVR C37 C39  SING Y N 56  
SVR C37 H37  SING N N 57  
SVR C38 C40  DOUB Y N 58  
SVR C38 H38  SING N N 59  
SVR C40 C42  SING Y N 60  
SVR C40 H40  SING N N 61  
SVR C42 C39  DOUB Y N 62  
SVR C42 H42  SING N N 63  
SVR C39 N41  SING N N 64  
SVR N41 C43  SING N N 65  
SVR N41 H41  SING N N 66  
SVR C43 O45  DOUB N N 67  
SVR C43 N44  SING N N 68  
SVR N44 C46  SING N N 69  
SVR N44 H44  SING N N 70  
SVR C46 C47  DOUB Y N 71  
SVR C46 C48  SING Y N 72  
SVR C47 C49  SING Y N 73  
SVR C47 H47  SING N N 74  
SVR C48 C50  DOUB Y N 75  
SVR C48 H48  SING N N 76  
SVR C50 C52  SING Y N 77  
SVR C50 H50  SING N N 78  
SVR C52 C49  DOUB Y N 79  
SVR C52 H52  SING N N 80  
SVR C49 C51  SING N N 81  
SVR C51 O54  DOUB N N 82  
SVR C51 N53  SING N N 83  
SVR N53 C55  SING N N 84  
SVR N53 H53  SING N N 85  
SVR C55 C56  DOUB Y N 86  
SVR C55 C57  SING Y N 87  
SVR C56 C58  SING Y N 88  
SVR C56 H56  SING N N 89  
SVR C57 C59  SING N N 90  
SVR C57 C60  DOUB Y N 91  
SVR C59 H591 SING N N 92  
SVR C59 H592 SING N N 93  
SVR C59 H593 SING N N 94  
SVR C60 C62  SING Y N 95  
SVR C60 H60  SING N N 96  
SVR C62 C58  DOUB Y N 97  
SVR C62 H62  SING N N 98  
SVR C58 C61  SING N N 99  
SVR C61 O64  DOUB N N 100 
SVR C61 N63  SING N N 101 
SVR N63 C65  SING N N 102 
SVR N63 H63  SING N N 103 
SVR C65 C67  DOUB Y N 104 
SVR C65 C66  SING Y N 105 
SVR C67 C70  SING Y N 106 
SVR C67 H67  SING N N 107 
SVR C70 C71  DOUB Y N 108 
SVR C70 H70  SING N N 109 
SVR C71 S75  SING N N 110 
SVR C71 C68  SING Y N 111 
SVR S75 O80  DOUB N N 112 
SVR S75 O81  DOUB N N 113 
SVR S75 O82  SING N N 114 
SVR O82 H82  SING N N 115 
SVR C66 C68  DOUB Y N 116 
SVR C66 C69  SING Y N 117 
SVR C68 C72  SING Y N 118 
SVR C72 C76  DOUB Y N 119 
SVR C72 H72  SING N N 120 
SVR C69 S73  SING N N 121 
SVR C69 C74  DOUB Y N 122 
SVR S73 O77  DOUB N N 123 
SVR S73 O78  DOUB N N 124 
SVR S73 O79  SING N N 125 
SVR O79 H79  SING N N 126 
SVR C74 C76  SING Y N 127 
SVR C74 H74  SING N N 128 
SVR C76 S83  SING N N 129 
SVR S83 O85  SING N N 130 
SVR S83 O86  DOUB N N 131 
SVR S83 O84  DOUB N N 132 
SVR O85 H85  SING N N 133 
# 
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 
SVR SMILES           ACDLabs              10.04 O=C(Nc1cc(ccc1C)C(=O)Nc3c2c(cc(cc2c(cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c8cccc(NC(=O)Nc7cc(C(=O)Nc6cc(C(=O)Nc5c4c(cc(cc4c(cc5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)ccc6C)ccc7)c8 
SVR InChI            InChI                1.02b 
;InChI=1/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/f/h52-57,63,66,69,72,75,78H
;
SVR InChIKey         InChI                1.02b FIAFUQMPZJWCLV-YJZMAWKGCG 
SVR SMILES_CANONICAL CACTVS               3.341 Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O)c2)C(=O)Nc7ccc(c8cc(cc(c78)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O 
SVR SMILES           CACTVS               3.341 Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O)c2)C(=O)Nc7ccc(c8cc(cc(c78)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O 
SVR SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 
SVR SMILES           "OpenEye OEToolkits" 1.5.0 Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 
# 
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 
SVR "SYSTEMATIC NAME" ACDLabs              10.04 "8-({[4-methyl-3-({[3-({[3-({2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)phenyl]carbonyl}amino)phenyl]carbonyl}amino)naphthalene-1,3,5-trisulfonic acid" 
SVR "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid"       
# 
