data_RSD
# 
_chem_comp.id                                    RSD 
_chem_comp.name                                  "RESPINOMYCIN D" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAD 
_chem_comp.formula                               "C51 H75 N2 O22" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    1 
_chem_comp.pdbx_initial_date                     2002-11-08 
_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                        1068.141 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     RSD 
_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   N 
_chem_comp.pdbx_model_coordinates_db_code        1N37 
_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 
RSD O7   O7   O 0  1 N N N 11.413 4.515  12.743 -9.635  2.200  -1.824 O7   RSD 1   
RSD O1   O1   O 0  1 N N N 12.839 2.751  11.335 -10.620 3.036  0.634  O1   RSD 2   
RSD O4   O4   O 0  1 N N N 13.010 0.668  13.366 -12.681 0.032  0.222  O4   RSD 3   
RSD O5   O5   O 0  1 N N N 12.452 3.684  15.338 -9.943  -0.434 0.706  O5   RSD 4   
RSD O2   O2   O 0  1 N N N 14.385 4.875  14.810 -8.333  -0.137 -0.953 O2   RSD 5   
RSD O12  O12  O 0  1 N N N 15.456 8.149  15.988 -5.043  -0.262 0.659  O12  RSD 6   
RSD O9   O9   O 0  1 N N N 15.953 8.936  18.036 -3.482  -1.975 0.902  O9   RSD 7   
RSD O52  O52  O 0  1 N N N 16.731 3.769  15.869 -6.299  -3.163 -2.463 O52  RSD 8   
RSD O53  O53  O -1 1 N N N 17.793 5.267  16.772 -6.664  -1.089 -2.598 O53  RSD 9   
RSD O16  O16  O 0  1 N N N 17.259 13.039 19.317 0.960   -2.132 0.602  O16  RSD 10  
RSD O24  O24  O 0  1 N N N 22.099 14.166 16.016 1.337   3.382  -0.627 O24  RSD 11  
RSD O22  O22  O 0  1 N N N 18.070 15.444 19.152 2.929   -0.935 1.362  O22  RSD 12  
RSD O28  O28  O 0  1 N N N 18.357 17.906 18.717 5.061   1.225  2.437  O28  RSD 13  
RSD O23  O23  O 0  1 N N N 17.194 10.812 20.033 -1.065  -3.188 0.017  O23  RSD 14  
RSD O35  O35  O 0  1 N N N 19.253 20.551 14.843 8.481   3.454  1.178  O35  RSD 15  
RSD O36  O36  O 0  1 N N N 22.245 20.710 17.003 7.729   2.369  -2.245 O36  RSD 16  
RSD O33  O33  O 0  1 N N N 14.460 12.915 18.853 0.036   -1.818 3.226  O33  RSD 17  
RSD O50  O50  O 0  1 N N N 18.241 21.683 21.430 7.180   -2.312 -1.169 O50  RSD 18  
RSD O44  O44  O 0  1 N N N 20.551 23.072 21.746 8.888   -3.355 0.746  O44  RSD 19  
RSD O47  O47  O 0  1 N N N 20.083 25.035 19.692 11.414  -1.930 -1.496 O47  RSD 20  
RSD O45  O45  O 0  1 N N N 18.172 22.167 18.500 9.856   -0.058 -0.078 O45  RSD 21  
RSD O31  O31  O 0  1 N N N 19.816 20.472 18.444 7.656   0.418  -0.679 O31  RSD 22  
RSD N10  N10  N 1  1 N N N 16.726 4.791  16.497 -6.622  -2.112 -1.938 N10  RSD 23  
RSD N39  N39  N 1  1 N N N 14.708 11.011 16.596 -2.273  -0.179 2.693  N39  RSD 24  
RSD C1   C1   C 0  1 N N R 13.243 2.995  12.663 -11.296 1.996  -0.076 C1   RSD 25  
RSD C2   C2   C 0  1 N N S 13.020 4.696  14.526 -9.281  0.527  -0.114 C2   RSD 26  
RSD C3   C3   C 0  1 N N N 14.762 2.869  12.587 -12.419 2.598  -0.923 C3   RSD 27  
RSD C4   C4   C 0  1 N N S 12.587 1.991  13.607 -11.886 0.992  0.921  C4   RSD 28  
RSD C5   C5   C 0  1 N N S 12.842 2.357  15.067 -10.743 0.279  1.647  C5   RSD 29  
RSD C6   C6   C 0  1 N N N 12.054 1.478  16.034 -9.877  1.314  2.369  C6   RSD 30  
RSD C7   C7   C 0  1 N N R 12.785 4.400  13.046 -10.306 1.259  -0.984 C7   RSD 31  
RSD C8   C8   C 0  1 N N N 10.858 5.811  12.773 -9.314  1.517  -3.037 C8   RSD 32  
RSD C9   C9   C 0  1 N N S 14.712 5.905  15.755 -7.309  -0.646 -0.097 C9   RSD 33  
RSD C10  C10  C 0  1 N N S 15.465 5.387  16.977 -6.958  -2.079 -0.512 C10  RSD 34  
RSD C11  C11  C 0  1 N N N 15.618 6.610  17.877 -5.754  -2.548 0.312  C11  RSD 35  
RSD C12  C12  C 0  1 N N S 16.160 7.853  17.191 -4.621  -1.530 0.162  C12  RSD 36  
RSD C13  C13  C 0  1 N N N 14.649 4.371  17.772 -8.152  -2.998 -0.245 C13  RSD 37  
RSD C14  C14  C 0  1 N N R 15.422 7.073  15.076 -6.058  0.228  -0.215 C14  RSD 38  
RSD C15  C15  C 0  1 N N N 14.714 7.590  13.827 -6.406  1.668  0.167  C15  RSD 39  
RSD C16  C16  C 0  1 N N N 18.454 12.755 18.645 0.745   -1.106 -0.247 C16  RSD 40  
RSD C17  C17  C 0  1 N N N 20.683 12.104 17.089 -0.133  1.282  -1.403 C17  RSD 41  
RSD C18  C18  C 0  1 N N N 19.257 13.774 18.120 1.616   -0.066 -0.288 C18  RSD 42  
RSD C19  C19  C 0  1 N N S 18.750 11.414 18.372 -0.452  -1.133 -1.157 C19  RSD 43  
RSD C20  C20  C 0  1 N N N 19.878 11.085 17.611 -0.958  0.270  -1.369 C20  RSD 44  
RSD C21  C21  C 0  1 N N R 20.360 13.447 17.321 1.349   1.083  -1.230 C21  RSD 45  
RSD C22  C22  C 0  1 N N N 18.962 15.130 18.368 2.749   -0.038 0.558  C22  RSD 46  
RSD C23  C23  C 0  1 N N R 17.777 10.355 18.834 -1.553  -1.994 -0.555 C23  RSD 47  
RSD C24  C24  C 0  1 N N N 21.118 14.457 16.696 1.952   2.337  -0.636 C24  RSD 48  
RSD C25  C25  C 0  1 N N N 19.673 16.148 17.701 3.704   1.091  0.485  C25  RSD 49  
RSD C26  C26  C 0  1 N N N 21.007 18.130 16.184 5.681   3.006  -0.151 C26  RSD 50  
RSD C27  C27  C 0  1 N N N 20.728 15.803 16.847 3.309   2.250  -0.069 C27  RSD 51  
RSD C28  C28  C 0  1 N N R 19.324 17.506 17.841 5.088   0.942  1.036  C28  RSD 52  
RSD C29  C29  C 0  1 N N N 19.977 18.484 17.064 6.067   1.878  0.363  C29  RSD 53  
RSD C30  C30  C 0  1 N N N 21.397 16.788 16.110 4.229   3.428  -0.125 C30  RSD 54  
RSD C31  C31  C 0  1 N N R 19.470 19.902 17.173 7.504   1.408  0.340  C31  RSD 55  
RSD C32  C32  C 0  1 N N R 16.470 12.019 19.874 -0.181  -2.887 1.087  C32  RSD 56  
RSD C33  C33  C 0  1 N N S 15.275 11.769 18.956 -0.901  -2.117 2.189  C33  RSD 57  
RSD C34  C34  C 0  1 N N N 18.419 9.029  19.234 -2.500  -2.374 -1.695 C34  RSD 58  
RSD C35  C35  C 0  1 N N S 19.955 20.802 16.040 8.458   2.563  0.061  C35  RSD 59  
RSD C36  C36  C 0  1 N N S 21.454 20.597 15.841 7.946   3.301  -1.184 C36  RSD 60  
RSD C37  C37  C 0  1 N N N 21.678 19.178 15.327 6.631   3.978  -0.813 C37  RSD 61  
RSD C38  C38  C 0  1 N N N 21.996 21.738 14.984 8.967   4.354  -1.620 C38  RSD 62  
RSD C39  C39  C 0  1 N N S 15.757 11.302 17.586 -1.475  -0.845 1.655  C39  RSD 63  
RSD C40  C40  C 0  1 N N S 16.711 10.124 17.766 -2.371  -1.193 0.459  C40  RSD 64  
RSD C41  C41  C 0  1 N N N 17.977 21.144 14.735 9.515   2.996  2.051  C41  RSD 65  
RSD C42  C42  C 0  1 N N N 14.242 12.246 15.945 -1.446  0.024  3.890  C42  RSD 66  
RSD C43  C43  C 0  1 N N N 13.531 10.306 17.125 -2.740  1.121  2.193  C43  RSD 67  
RSD C44  C44  C 0  1 N N R 20.176 22.722 20.432 9.431   -2.886 -0.490 C44  RSD 68  
RSD C45  C45  C 0  1 N N S 18.775 21.075 19.171 8.532   -0.582 -0.156 C45  RSD 69  
RSD C46  C46  C 0  1 N N N 21.498 22.469 19.713 9.552   -4.050 -1.476 C46  RSD 70  
RSD C47  C47  C 0  1 N N S 19.352 23.833 19.786 10.815  -2.273 -0.245 C47  RSD 71  
RSD C48  C48  C 0  1 N N S 18.859 23.395 18.409 10.659  -1.014 0.611  C48  RSD 72  
RSD C49  C49  C 0  1 N N N 17.885 24.406 17.809 9.989   -1.381 1.937  C49  RSD 73  
RSD C50  C50  C 0  1 N N R 19.317 21.466 20.544 8.513   -1.806 -1.074 C50  RSD 74  
RSD C51  C51  C 0  1 N N N 17.841 20.527 22.132 6.565   -1.650 -2.276 C51  RSD 75  
RSD H1   H1   H 0  1 N N N 13.276 3.393  10.771 -11.279 3.462  1.200  H1   RSD 76  
RSD H42  2H4  H 0  1 N N N 12.320 0.080  13.684 -13.025 -0.582 0.885  H42  RSD 77  
RSD H28  H28  H 0  1 N N N 17.981 17.105 19.087 4.428   0.612  2.834  H28  RSD 78  
RSD H36  H36  H 0  1 N N N 22.162 19.890 17.494 7.409   2.877  -3.003 H36  RSD 79  
RSD H332 2H33 H 0  0 N N N 14.978 13.640 18.495 0.383   -2.664 3.542  H332 RSD 80  
RSD H44  H44  H 0  1 N N N 19.739 23.192 22.244 9.502   -4.021 1.086  H44  RSD 81  
RSD H472 2H47 H 0  0 N N N 20.363 25.265 20.581 12.277  -1.544 -1.295 H472 RSD 82  
RSD H392 2H39 H 0  0 N N N 15.135 10.445 15.877 -3.068  -0.755 2.927  H392 RSD 83  
RSD H2   H2   H 0  1 N N N 12.489 5.623  14.744 -8.763  1.247  0.519  H2   RSD 84  
RSD H31A 1H3  H 0  0 N N N 15.039 1.914  12.140 -13.130 3.109  -0.273 H31A RSD 85  
RSD H32A 2H3  H 0  0 N N N 15.216 2.917  13.577 -11.997 3.312  -1.631 H32A RSD 86  
RSD H33  3H3  H 0  1 N N N 15.182 3.667  11.975 -12.929 1.804  -1.468 H33  RSD 87  
RSD H41  1H4  H 0  1 N N N 11.511 2.032  13.438 -12.506 1.520  1.647  H41  RSD 88  
RSD H5   H5   H 0  1 N N N 13.902 2.235  15.287 -11.155 -0.419 2.375  H5   RSD 89  
RSD H61  1H6  H 0  1 N N N 12.217 1.825  17.054 -9.444  1.998  1.639  H61  RSD 90  
RSD H62  2H6  H 0  1 N N N 12.396 0.445  15.955 -10.492 1.875  3.072  H62  RSD 91  
RSD H63  3H6  H 0  1 N N N 10.989 1.527  15.804 -9.078  0.806  2.909  H63  RSD 92  
RSD H7   H7   H 0  1 N N N 13.345 5.135  12.468 -10.843 0.538  -1.601 H7   RSD 93  
RSD H81  1H8  H 0  1 N N N 11.506 6.524  12.264 -10.232 1.164  -3.508 H81  RSD 94  
RSD H82  2H8  H 0  1 N N N 10.663 6.158  13.788 -8.798  2.199  -3.713 H82  RSD 95  
RSD H83  3H8  H 0  1 N N N 9.899  5.789  12.254 -8.669  0.667  -2.816 H83  RSD 96  
RSD H9   H9   H 0  1 N N N 13.798 6.318  16.180 -7.661  -0.641 0.935  H9   RSD 97  
RSD H112 2H11 H 0  0 N N N 14.660 6.968  18.254 -6.038  -2.626 1.361  H112 RSD 98  
RSD H111 1H11 H 0  0 N N N 16.202 6.333  18.754 -5.421  -3.521 -0.051 H111 RSD 99  
RSD H12  H12  H 0  1 N N N 17.209 7.644  16.980 -4.355  -1.436 -0.891 H12  RSD 100 
RSD H131 1H13 H 0  0 N N N 14.467 3.470  17.186 -8.404  -2.967 0.815  H131 RSD 101 
RSD H132 2H13 H 0  0 N N N 13.683 4.786  18.060 -9.007  -2.662 -0.832 H132 RSD 102 
RSD H133 3H13 H 0  0 N N N 15.186 4.084  18.676 -7.895  -4.019 -0.528 H133 RSD 103 
RSD H14  H14  H 0  1 N N N 16.440 6.795  14.804 -5.695  0.203  -1.243 H14  RSD 104 
RSD H151 1H15 H 0  0 N N N 13.669 7.796  14.057 -6.813  1.687  1.178  H151 RSD 105 
RSD H152 2H15 H 0  0 N N N 15.193 8.509  13.488 -5.506  2.282  0.126  H152 RSD 106 
RSD H153 3H15 H 0  0 N N N 14.781 6.855  13.025 -7.146  2.061  -0.530 H153 RSD 107 
RSD H17  H17  H 0  1 N N N 21.513 11.820 16.458 -0.520  2.279  -1.556 H17  RSD 108 
RSD H119 19H1 H 0  0 N N N 19.553 11.065 19.062 -0.158  -1.553 -2.119 H119 RSD 109 
RSD H20  H20  H 0  1 N N N 20.121 10.064 17.357 -2.017  0.442  -1.496 H20  RSD 110 
RSD H221 21H2 H 0  0 N N N 20.839 13.664 18.304 1.807   0.878  -2.198 H221 RSD 111 
RSD H228 28H2 H 0  0 N N N 19.217 16.467 18.231 5.420   -0.085 0.888  H228 RSD 112 
RSD H30  H30  H 0  1 N N N 22.483 16.728 16.357 4.010   4.008  -1.021 H30  RSD 113 
RSD H301 1H30 H 0  0 N N N 21.390 16.483 15.037 4.058   4.053  0.752  H301 RSD 114 
RSD H31  H31  H 0  1 N N N 18.381 19.885 17.131 7.751   0.967  1.306  H31  RSD 115 
RSD H32  H32  H 0  1 N N N 16.096 12.347 20.845 0.183   -3.825 1.505  H32  RSD 116 
RSD H331 1H33 H 0  0 N N N 14.698 10.972 19.425 -1.702  -2.737 2.592  H331 RSD 117 
RSD H341 1H34 H 0  0 N N N 19.195 9.225  19.975 -3.277  -3.037 -1.316 H341 RSD 118 
RSD H342 2H34 H 0  0 N N N 18.857 8.530  18.370 -2.958  -1.472 -2.102 H342 RSD 119 
RSD H343 3H34 H 0  0 N N N 17.678 8.367  19.682 -1.939  -2.882 -2.479 H343 RSD 120 
RSD H35  H35  H 0  1 N N N 19.794 21.845 16.314 9.461   2.178  -0.125 H35  RSD 121 
RSD H371 1H37 H 0  0 N N N 22.749 18.977 15.293 6.834   4.801  -0.128 H371 RSD 122 
RSD H372 2H37 H 0  0 N N N 21.300 19.099 14.308 6.166   4.374  -1.716 H372 RSD 123 
RSD H381 1H38 H 0  0 N N N 21.812 22.646 15.558 9.913   3.867  -1.854 H381 RSD 124 
RSD H382 2H38 H 0  0 N N N 21.479 21.779 14.025 8.597   4.874  -2.504 H382 RSD 125 
RSD H383 3H38 H 0  0 N N N 23.067 21.614 14.827 9.116   5.071  -0.812 H383 RSD 126 
RSD H391 1H39 H 0  0 N N N 16.369 12.114 17.193 -0.670  -0.186 1.331  H391 RSD 127 
RSD H40  H40  H 0  1 N N N 17.223 9.973  16.815 -2.732  -0.276 -0.006 H40  RSD 128 
RSD H411 1H41 H 0  0 N N N 18.037 22.226 14.852 9.571   3.648  2.922  H411 RSD 129 
RSD H412 2H41 H 0  0 N N N 17.272 20.743 15.463 9.295   1.978  2.372  H412 RSD 130 
RSD H413 3H41 H 0  0 N N N 17.590 20.933 13.738 10.469  3.012  1.523  H413 RSD 131 
RSD H421 1H42 H 0  0 N N N 15.091 12.772 15.509 -1.959  0.699  4.575  H421 RSD 132 
RSD H422 2H42 H 0  0 N N N 13.751 12.884 16.680 -1.277  -0.934 4.382  H422 RSD 133 
RSD H423 3H42 H 0  0 N N N 13.530 11.992 15.160 -0.489  0.458  3.601  H423 RSD 134 
RSD H431 1H43 H 0  0 N N N 13.844 9.379  17.604 -3.420  0.965  1.356  H431 RSD 135 
RSD H432 2H43 H 0  0 N N N 12.842 10.076 16.313 -3.260  1.651  2.991  H432 RSD 136 
RSD H433 3H43 H 0  0 N N N 13.030 10.942 17.856 -1.885  1.711  1.862  H433 RSD 137 
RSD H45  H45  H 0  1 N N N 17.993 20.331 19.324 8.198   -0.872 0.840  H45  RSD 138 
RSD H461 1H46 H 0  0 N N N 22.146 23.341 19.795 10.217  -4.809 -1.062 H461 RSD 139 
RSD H462 2H46 H 0  0 N N N 21.346 22.280 18.650 8.568   -4.484 -1.649 H462 RSD 140 
RSD H463 3H46 H 0  0 N N N 21.998 21.605 20.151 9.960   -3.686 -2.419 H463 RSD 141 
RSD H471 1H47 H 0  0 N N N 18.482 24.022 20.415 11.445  -2.993 0.277  H471 RSD 142 
RSD H48  H48  H 0  1 N N N 19.708 23.326 17.729 11.643  -0.586 0.808  H48  RSD 143 
RSD H491 1H49 H 0  0 N N N 18.397 25.344 17.594 8.996   -1.784 1.742  H491 RSD 144 
RSD H492 2H49 H 0  0 N N N 17.069 24.600 18.505 10.591  -2.129 2.453  H492 RSD 145 
RSD H493 3H49 H 0  0 N N N 17.475 24.012 16.879 9.904   -0.490 2.559  H493 RSD 146 
RSD H50  H50  H 0  1 N N N 19.952 20.659 20.910 8.867   -1.524 -2.066 H50  RSD 147 
RSD H511 1H51 H 0  0 N N N 18.661 20.157 22.748 7.126   -1.865 -3.186 H511 RSD 148 
RSD H512 2H51 H 0  0 N N N 17.525 19.731 21.459 5.541   -2.005 -2.389 H512 RSD 149 
RSD H513 3H51 H 0  0 N N N 17.011 20.781 22.791 6.559   -0.575 -2.098 H513 RSD 150 
# 
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 
RSD O7  C7   SING N N 1   
RSD O7  C8   SING N N 2   
RSD O1  C1   SING N N 3   
RSD O1  H1   SING N N 4   
RSD O4  C4   SING N N 5   
RSD O4  H42  SING N N 6   
RSD O5  C2   SING N N 7   
RSD O5  C5   SING N N 8   
RSD O2  C2   SING N N 9   
RSD O2  C9   SING N N 10  
RSD O12 C12  SING N N 11  
RSD O12 C14  SING N N 12  
RSD O9  C12  SING N N 13  
RSD O9  C40  SING N N 14  
RSD O52 N10  DOUB N N 15  
RSD O53 N10  SING N N 16  
RSD O16 C16  SING N N 17  
RSD O16 C32  SING N N 18  
RSD O24 C24  DOUB N N 19  
RSD O22 C22  DOUB N N 20  
RSD O28 C28  SING N N 21  
RSD O28 H28  SING N N 22  
RSD O23 C23  SING N N 23  
RSD O23 C32  SING N N 24  
RSD O35 C35  SING N N 25  
RSD O35 C41  SING N N 26  
RSD O36 C36  SING N N 27  
RSD O36 H36  SING N N 28  
RSD O33 C33  SING N N 29  
RSD O33 H332 SING N N 30  
RSD O50 C50  SING N N 31  
RSD O50 C51  SING N N 32  
RSD O44 C44  SING N N 33  
RSD O44 H44  SING N N 34  
RSD O47 C47  SING N N 35  
RSD O47 H472 SING N N 36  
RSD O45 C45  SING N N 37  
RSD O45 C48  SING N N 38  
RSD O31 C31  SING N N 39  
RSD O31 C45  SING N N 40  
RSD N10 C10  SING N N 41  
RSD N39 C39  SING N N 42  
RSD N39 C42  SING N N 43  
RSD N39 C43  SING N N 44  
RSD N39 H392 SING N N 45  
RSD C1  C3   SING N N 46  
RSD C1  C4   SING N N 47  
RSD C1  C7   SING N N 48  
RSD C2  C7   SING N N 49  
RSD C2  H2   SING N N 50  
RSD C3  H31A SING N N 51  
RSD C3  H32A SING N N 52  
RSD C3  H33  SING N N 53  
RSD C4  C5   SING N N 54  
RSD C4  H41  SING N N 55  
RSD C5  C6   SING N N 56  
RSD C5  H5   SING N N 57  
RSD C6  H61  SING N N 58  
RSD C6  H62  SING N N 59  
RSD C6  H63  SING N N 60  
RSD C7  H7   SING N N 61  
RSD C8  H81  SING N N 62  
RSD C8  H82  SING N N 63  
RSD C8  H83  SING N N 64  
RSD C9  C10  SING N N 65  
RSD C9  C14  SING N N 66  
RSD C9  H9   SING N N 67  
RSD C10 C11  SING N N 68  
RSD C10 C13  SING N N 69  
RSD C11 C12  SING N N 70  
RSD C11 H112 SING N N 71  
RSD C11 H111 SING N N 72  
RSD C12 H12  SING N N 73  
RSD C13 H131 SING N N 74  
RSD C13 H132 SING N N 75  
RSD C13 H133 SING N N 76  
RSD C14 C15  SING N N 77  
RSD C14 H14  SING N N 78  
RSD C15 H151 SING N N 79  
RSD C15 H152 SING N N 80  
RSD C15 H153 SING N N 81  
RSD C16 C18  DOUB N N 82  
RSD C16 C19  SING N N 83  
RSD C17 C20  DOUB N N 84  
RSD C17 C21  SING N N 85  
RSD C17 H17  SING N N 86  
RSD C18 C21  SING N N 87  
RSD C18 C22  SING N N 88  
RSD C19 C20  SING N N 89  
RSD C19 C23  SING N N 90  
RSD C19 H119 SING N N 91  
RSD C20 H20  SING N N 92  
RSD C21 C24  SING N N 93  
RSD C21 H221 SING N N 94  
RSD C22 C25  SING N N 95  
RSD C23 C34  SING N N 96  
RSD C23 C40  SING N N 97  
RSD C24 C27  SING N N 98  
RSD C25 C27  DOUB N N 99  
RSD C25 C28  SING N N 100 
RSD C26 C29  DOUB N N 101 
RSD C26 C30  SING N N 102 
RSD C26 C37  SING N N 103 
RSD C27 C30  SING N N 104 
RSD C28 C29  SING N N 105 
RSD C28 H228 SING N N 106 
RSD C29 C31  SING N N 107 
RSD C30 H30  SING N N 108 
RSD C30 H301 SING N N 109 
RSD C31 C35  SING N N 110 
RSD C31 H31  SING N N 111 
RSD C32 C33  SING N N 112 
RSD C32 H32  SING N N 113 
RSD C33 C39  SING N N 114 
RSD C33 H331 SING N N 115 
RSD C34 H341 SING N N 116 
RSD C34 H342 SING N N 117 
RSD C34 H343 SING N N 118 
RSD C35 C36  SING N N 119 
RSD C35 H35  SING N N 120 
RSD C36 C37  SING N N 121 
RSD C36 C38  SING N N 122 
RSD C37 H371 SING N N 123 
RSD C37 H372 SING N N 124 
RSD C38 H381 SING N N 125 
RSD C38 H382 SING N N 126 
RSD C38 H383 SING N N 127 
RSD C39 C40  SING N N 128 
RSD C39 H391 SING N N 129 
RSD C40 H40  SING N N 130 
RSD C41 H411 SING N N 131 
RSD C41 H412 SING N N 132 
RSD C41 H413 SING N N 133 
RSD C42 H421 SING N N 134 
RSD C42 H422 SING N N 135 
RSD C42 H423 SING N N 136 
RSD C43 H431 SING N N 137 
RSD C43 H432 SING N N 138 
RSD C43 H433 SING N N 139 
RSD C44 C46  SING N N 140 
RSD C44 C47  SING N N 141 
RSD C44 C50  SING N N 142 
RSD C45 C50  SING N N 143 
RSD C45 H45  SING N N 144 
RSD C46 H461 SING N N 145 
RSD C46 H462 SING N N 146 
RSD C46 H463 SING N N 147 
RSD C47 C48  SING N N 148 
RSD C47 H471 SING N N 149 
RSD C48 C49  SING N N 150 
RSD C48 H48  SING N N 151 
RSD C49 H491 SING N N 152 
RSD C49 H492 SING N N 153 
RSD C49 H493 SING N N 154 
RSD C50 H50  SING N N 155 
RSD C51 H511 SING N N 156 
RSD C51 H512 SING N N 157 
RSD C51 H513 SING N N 158 
# 
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 
RSD SMILES           ACDLabs              10.04 [O-][N+](=O)C2(C)CC(OC(C)C2OC1OC(C)C(O)C(O)(C)C1OC)OC5C(C(O)C4OC3=C6C(=O)C9=C(C(=O)C6C=CC3C5(O4)C)CC8=C(C(OC7OC(C)C(O)C(O)(C)C7OC)C(OC)C(O)(C)C8)C9O)[NH+](C)C 
RSD InChI            InChI                1.02b 
;InChI=1/C51H74N2O22/c1-19-37(58)49(6,61)42(66-12)45(69-19)73-36-27-22(17-48(5,60)41(36)65-11)16-24-28(32(27)55)33(56)29-23(31(24)54)14-15-25-35(29)72-44-34(57)30(52(9)10)40(51(25,8)75-44)71-26-18-47(4,53(63)64)39(21(3)68-26)74-46-43(67-13)50(7,62)38(59)20(2)70-46/h14-15,19-21,23,25-26,30,32,34,36-46,55,57-62H,16-18H2,1-13H3/p+1/t19-,20-,21+,23+,25-,26-,30-,32+,34-,36+,37-,38-,39+,40-,41-,42-,43-,44+,45-,46-,47-,48-,49+,50+,51+/m0/s1/fC51H75N2O22/h52H/q+1
;
RSD InChIKey         InChI                1.02b FSWSNADWNSVMLC-ZDXTVBAIDU 
RSD SMILES_CANONICAL CACTVS               3.341 
;CO[C@H]1[C@@H](O[C@@H](C)[C@H](O)[C@@]1(C)O)O[C@H]2[C@H](OC)[C@@](C)(O)CC3=C2[C@@H](O)C4=C(C3)C(=O)[C@@H]5C=C[C@H]6C(=C5C4=O)O[C@@H]7O[C@@]6(C)[C@@H](O[C@H]8C[C@@](C)([C@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@](C)(O)[C@H]9OC)[C@@H](C)O8)[N+]([O-])=O)[C@H]([C@@H]7O)[NH+](C)C
;
RSD SMILES           CACTVS               3.341 
CO[CH]1[CH](O[CH](C)[CH](O)[C]1(C)O)O[CH]2[CH](OC)[C](C)(O)CC3=C2[CH](O)C4=C(C3)C(=O)[CH]5C=C[CH]6C(=C5C4=O)O[CH]7O[C]6(C)[CH](O[CH]8C[C](C)([CH](O[CH]9O[CH](C)[CH](O)[C](C)(O)[CH]9OC)[CH](C)O8)[N+]([O-])=O)[CH]([CH]7O)[NH+](C)C 
RSD SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 
;C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@](CC3=C2C(C4=C(C3)C(=O)C5C=CC6C(=C5C4=O)O[C@H]7[C@H]([C@@H]([C@@H]([C@@]6(O7)C)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@]([C@H]([C@@H](O9)C)O)(C)O)OC)(C)[N+](=O)[O-])[NH+](C)C)O)O)(C)O)OC)OC)(C)O)O
;
RSD SMILES           "OpenEye OEToolkits" 1.5.0 CC1C(C(C(C(O1)OC2C(C(CC3=C2C(C4=C(C3)C(=O)C5C=CC6C(=C5C4=O)OC7C(C(C(C6(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)C)O)(C)O)OC)(C)[N+](=O)[O-])[NH+](C)C)O)O)(C)O)OC)OC)(C)O)O 
# 
_pdbx_chem_comp_identifier.comp_id           RSD 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           ACDLabs 
_pdbx_chem_comp_identifier.program_version   10.04 
_pdbx_chem_comp_identifier.identifier        
;(2R,3S,4S,5S,6R,6aS,8aR,12S,13S,14R,15R)-14-[(6-deoxy-3-C-methyl-2-O-methyl-alpha-L-mannopyranosyl)oxy]-3,12,15-trihydroxy-13-methoxy-N,N,6,12-tetramethyl-9,16-dioxo-5-{[2,3,6-trideoxy-4-O-(6-deoxy-3-C-methyl-2-O-methyl-alpha-L-mannopyranosyl)-3-methyl-3-nitro-beta-D-ribo-hexopyranosyl]oxy}-3,4,5,6,6a,8a,9,10,11,12,13,14,15,16-tetradecahydro-2H-2,6-epoxytetraceno[1,2-b]oxocin-4-aminium
;
# 
