data_PRDCC_000011
# 
_chem_comp.id                                    PRD_000011 
_chem_comp.name                                  "N8-Actinomycin D" 
_chem_comp.formula                               "C61 H85 N13 O16" 
_chem_comp.formula_weight                        1256.405 
_chem_comp.pdbx_release_status                   REF_ONLY 
_chem_comp.type                                  peptide-like 
_chem_comp.pdbx_type                             ? 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    ? 
_chem_comp.pdbx_initial_date                     ? 
_chem_comp.pdbx_modified_date                    ? 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ? 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   ? 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   ? 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_pcm                              ? 
_chem_comp.pdbx_processing_site                  ? 
# 
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_comp_id 
_chem_comp_atom.pdbx_residue_numbering 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_polymer_type 
_chem_comp_atom.pdbx_ref_id 
_chem_comp_atom.pdbx_component_id 
_chem_comp_atom.pdbx_ordinal 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
PRD_000011 N1  N1  N 0 1 N N N 4.252  21.376 10.447 -3.438  1.532  0.250  THR 1  N     polymer 1 1 1   ? ? ? 
PRD_000011 C1  C1  C 0 1 N N S 4.114  19.994 10.022 -3.427  0.867  1.555  THR 1  CA    polymer 1 1 2   ? ? ? 
PRD_000011 C2  C2  C 0 1 N N N 5.197  19.213 10.665 -3.588  -0.619 1.363  THR 1  C     polymer 1 1 3   ? ? ? 
PRD_000011 O1  O1  O 0 1 N N N 6.384  19.562 10.694 -4.578  -1.192 1.766  THR 1  O     polymer 1 1 4   ? ? ? 
PRD_000011 C3  C3  C 0 1 N N R 4.174  19.643 8.531  -4.581  1.398  2.408  THR 1  CB    polymer 1 1 5   ? ? ? 
PRD_000011 O2  O2  O 0 1 N N N 5.492  19.959 8.017  -5.841  1.136  1.736  THR 1  OG1   polymer 1 1 6   ? ? ? 
PRD_000011 C4  C4  C 0 1 N N N 3.088  20.389 7.760  -4.414  2.906  2.609  THR 1  CG2   polymer 1 1 7   ? ? ? 
PRD_000011 N2  N2  N 0 1 N N N 4.588  18.204 11.274 -2.592  -1.309 0.723  DVA 2  N     polymer 1 1 8   ? ? ? 
PRD_000011 C5  C5  C 0 1 N N R 5.287  16.993 11.630 -2.852  -2.763 0.575  DVA 2  CA    polymer 1 1 9   ? ? ? 
PRD_000011 C6  C6  C 0 1 N N N 4.343  15.795 11.333 -1.885  -3.359 -0.449 DVA 2  CB    polymer 1 1 10  ? ? ? 
PRD_000011 C7  C7  C 0 1 N N N 4.345  14.623 12.319 -2.120  -2.705 -1.813 DVA 2  CG1   polymer 1 1 11  ? ? ? 
PRD_000011 C8  C8  C 0 1 N N N 4.472  15.285 9.890  -0.445  -3.101 -0.002 DVA 2  CG2   polymer 1 1 12  ? ? ? 
PRD_000011 C9  C9  C 0 1 N N N 5.766  16.989 13.064 -4.271  -2.942 0.100  DVA 2  C     polymer 1 1 13  ? ? ? 
PRD_000011 O3  O3  O 0 1 N N N 4.957  17.363 13.908 -5.045  -2.010 0.143  DVA 2  O     polymer 1 1 14  ? ? ? 
PRD_000011 N3  N3  N 0 1 N N N 6.994  16.595 13.409 -4.680  -4.135 -0.375 PRO 3  N     polymer 1 1 15  ? ? ? 
PRD_000011 C10 C10 C 0 1 N N S 8.109  16.343 12.480 -6.025  -4.432 -0.873 PRO 3  CA    polymer 1 1 16  ? ? ? 
PRD_000011 C11 C11 C 0 1 N N N 7.826  15.274 11.409 -7.052  -3.812 0.039  PRO 3  C     polymer 1 1 17  ? ? ? 
PRD_000011 O4  O4  O 0 1 N N N 7.318  14.211 11.787 -7.106  -4.118 1.212  PRO 3  O     polymer 1 1 18  ? ? ? 
PRD_000011 C12 C12 C 0 1 N N N 9.265  15.879 13.388 -6.194  -5.956 -0.889 PRO 3  CB    polymer 1 1 19  ? ? ? 
PRD_000011 C13 C13 C 0 1 N N N 8.821  16.195 14.793 -4.804  -6.543 -0.601 PRO 3  CG    polymer 1 1 20  ? ? ? 
PRD_000011 C14 C14 C 0 1 N N N 7.303  16.050 14.729 -3.857  -5.342 -0.474 PRO 3  CD    polymer 1 1 21  ? ? ? 
PRD_000011 N4  N4  N 0 1 N N N 8.041  15.504 10.100 -7.924  -2.895 -0.486 SAR 4  N     polymer 1 1 22  ? ? ? 
PRD_000011 C15 C15 C 0 1 N N N 8.545  16.750 9.530  -8.877  -2.319 0.496  SAR 4  CA    polymer 1 1 23  ? ? ? 
PRD_000011 C16 C16 C 0 1 N N N 7.672  17.386 8.444  -8.649  -0.831 0.560  SAR 4  C     polymer 1 1 24  ? ? ? 
PRD_000011 O5  O5  O 0 1 N N N 6.566  16.908 8.189  -8.520  -0.184 -0.458 SAR 4  O     polymer 1 1 25  ? ? ? 
PRD_000011 C17 C17 C 0 1 N N N 7.979  14.362 9.194  -7.916  -2.513 -1.901 SAR 4  CN    polymer 1 1 26  ? ? ? 
PRD_000011 N5  N5  N 0 1 N N N 8.086  18.473 7.779  -8.591  -0.222 1.778  MVA 5  N     polymer 1 1 27  ? ? ? 
PRD_000011 C18 C18 C 0 1 N N N 9.097  19.303 8.422  -8.794  -0.962 3.026  MVA 5  CN    polymer 1 1 28  ? ? ? 
PRD_000011 C19 C19 C 0 1 N N S 7.440  19.139 6.645  -8.310  1.229  1.765  MVA 5  CA    polymer 1 1 29  ? ? ? 
PRD_000011 C20 C20 C 0 1 N N N 7.890  18.478 5.289  -9.388  1.968  2.561  MVA 5  CB    polymer 1 1 30  ? ? ? 
PRD_000011 C21 C21 C 0 1 N N N 7.168  17.203 4.968  -9.171  3.477  2.435  MVA 5  CG1   polymer 1 1 31  ? ? ? 
PRD_000011 C22 C22 C 0 1 N N N 7.828  19.398 4.080  -10.768 1.603  2.010  MVA 5  CG2   polymer 1 1 32  ? ? ? 
PRD_000011 C23 C23 C 0 1 N N N 5.931  19.395 6.804  -6.962  1.469  2.395  MVA 5  C     polymer 1 1 33  ? ? ? 
PRD_000011 O6  O6  O 0 1 N N N 5.265  19.621 5.781  -6.891  1.961  3.497  MVA 5  O     polymer 1 1 34  ? ? ? 
PRD_000011 C24 C24 C 0 1 Y N N 3.110  23.480 10.908 -2.283  2.627  -1.602 PXA 6  C1    polymer 1 1 35  ? ? ? 
PRD_000011 C25 C25 C 0 1 N N N 3.145  22.068 10.722 -2.275  1.844  -0.357 PXA 6  C0    polymer 1 1 36  ? ? ? 
PRD_000011 O7  O7  O 0 1 N N N 2.091  21.438 10.818 -1.220  1.478  0.125  PXA 6  O1    polymer 1 1 37  ? ? ? 
PRD_000011 C26 C26 C 0 1 Y N N 2.872  24.319 9.798  -3.376  3.413  -1.933 PXA 6  C2    polymer 1 1 38  ? ? ? 
PRD_000011 N6  N6  N 0 1 N N N 2.694  23.793 8.592  -4.466  3.465  -1.096 PXA 6  N2    polymer 1 1 39  ? ? ? 
PRD_000011 C27 C27 C 0 1 Y N N 2.812  25.733 9.935  -3.368  4.192  -3.184 PXA 6  C3    polymer 1 1 40  ? ? ? 
PRD_000011 O8  O8  O 0 1 N N N 2.591  26.436 8.943  -4.333  4.882  -3.470 PXA 6  O3    polymer 1 1 41  ? ? ? 
PRD_000011 C28 C28 C 0 1 Y N N 2.996  26.334 11.199 -2.266  4.152  -4.049 PXA 6  C4    polymer 1 1 42  ? ? ? 
PRD_000011 O9  O9  O 0 1 Y N N 3.403  26.063 13.558 -0.106  3.348  -4.589 PXA 6  O5    polymer 1 1 43  ? ? ? 
PRD_000011 C29 C29 C 0 1 Y N N 3.768  25.785 15.972 2.069   2.519  -5.104 PXA 6  C6    polymer 1 1 44  ? ? ? 
PRD_000011 C30 C30 C 0 1 Y N N 3.961  24.852 17.007 3.140   1.725  -4.741 PXA 6  C7    polymer 1 1 45  ? ? ? 
PRD_000011 N7  N7  N 0 1 Y N N 3.984  23.551 16.753 3.133   1.026  -3.622 PXA 6  N8    polymer 1 1 46  ? ? ? 
PRD_000011 C31 C31 C 0 1 Y N N 3.835  23.024 15.552 2.119   1.061  -2.772 PXA 6  C9    polymer 1 1 47  ? ? ? 
PRD_000011 C32 C32 C 0 1 N N N 3.859  21.639 15.347 2.166   0.256  -1.531 PXA 6  "C0'" polymer 1 1 48  ? ? ? 
PRD_000011 O10 O10 O 0 1 N N N 4.929  21.107 15.078 1.237   0.291  -0.749 PXA 6  "O1'" polymer 1 1 49  ? ? ? 
PRD_000011 N8  N8  N 0 1 Y N N 3.490  23.340 13.240 -0.068  1.864  -2.230 PXA 6  N10   polymer 1 1 50  ? ? ? 
PRD_000011 C33 C33 C 0 1 Y N N 3.287  24.081 12.176 -1.129  2.595  -2.512 PXA 6  C11   polymer 1 1 51  ? ? ? 
PRD_000011 C34 C34 C 0 1 Y N N 3.236  25.512 12.325 -1.166  3.385  -3.753 PXA 6  C12   polymer 1 1 52  ? ? ? 
PRD_000011 C35 C35 C 0 1 Y N N 3.604  25.273 14.642 0.957   2.583  -4.269 PXA 6  C13   polymer 1 1 53  ? ? ? 
PRD_000011 C36 C36 C 0 1 Y N N 3.644  23.859 14.441 0.977   1.842  -3.066 PXA 6  C14   polymer 1 1 54  ? ? ? 
PRD_000011 C37 C37 C 0 1 N N N 2.916  27.849 11.345 -2.289  4.961  -5.320 PXA 6  C15   polymer 1 1 55  ? ? ? 
PRD_000011 C38 C38 C 0 1 N N N 3.738  27.275 16.325 2.105   3.306  -6.389 PXA 6  C16   polymer 1 1 56  ? ? ? 
PRD_000011 N9  N9  N 0 1 N N N 2.732  20.931 15.409 3.239   -0.515 -1.268 THR 7  N     polymer 1 1 57  ? ? ? 
PRD_000011 C39 C39 C 0 1 N N S 2.798  19.477 15.209 3.241   -1.392 -0.094 THR 7  CA    polymer 1 1 58  ? ? ? 
PRD_000011 C40 C40 C 0 1 N N N 1.675  18.945 14.356 3.766   -0.634 1.098  THR 7  C     polymer 1 1 59  ? ? ? 
PRD_000011 O11 O11 O 0 1 N N N 0.580  19.524 14.325 4.812   -0.952 1.622  THR 7  O     polymer 1 1 60  ? ? ? 
PRD_000011 C41 C41 C 0 1 N N R 2.732  18.640 16.484 4.137   -2.602 -0.363 THR 7  CB    polymer 1 1 61  ? ? ? 
PRD_000011 O12 O12 O 0 1 N N N 1.581  19.110 17.218 5.490   -2.153 -0.640 THR 7  OG1   polymer 1 1 62  ? ? ? 
PRD_000011 C42 C42 C 0 1 N N N 4.017  18.668 17.283 3.601   -3.376 -1.569 THR 7  CG2   polymer 1 1 63  ? ? ? 
PRD_000011 N10 N10 N 0 1 N N N 1.963  17.829 13.682 3.036   0.422  1.576  DVA 8  N     polymer 1 1 64  ? ? ? 
PRD_000011 C43 C43 C 0 1 N N R 0.897  17.195 12.940 3.644   1.107  2.744  DVA 8  CA    polymer 1 1 65  ? ? ? 
PRD_000011 C44 C44 C 0 1 N N N 1.037  15.678 12.941 2.962   2.459  2.962  DVA 8  CB    polymer 1 1 66  ? ? ? 
PRD_000011 C45 C45 C 0 1 N N N -0.106 14.986 12.217 3.203   3.354  1.744  DVA 8  CG1   polymer 1 1 67  ? ? ? 
PRD_000011 C46 C46 C 0 1 N N N 1.128  15.189 14.366 1.459   2.248  3.151  DVA 8  CG2   polymer 1 1 68  ? ? ? 
PRD_000011 C47 C47 C 0 1 N N N 0.831  17.751 11.526 5.109   1.317  2.458  DVA 8  C     polymer 1 1 69  ? ? ? 
PRD_000011 O13 O13 O 0 1 N N N 1.722  17.396 10.751 5.634   0.732  1.534  DVA 8  O     polymer 1 1 70  ? ? ? 
PRD_000011 N11 N11 N 0 1 N N N -0.105 18.631 11.119 5.836   2.151  3.226  PRO 9  N     polymer 1 1 71  ? ? ? 
PRD_000011 C48 C48 C 0 1 N N S -1.182 19.199 11.948 7.260   2.445  3.044  PRO 9  CA    polymer 1 1 72  ? ? ? 
PRD_000011 C49 C49 C 0 1 N N N -2.215 18.190 12.418 8.006   1.170  2.745  PRO 9  C     polymer 1 1 73  ? ? ? 
PRD_000011 O14 O14 O 0 1 N N N -2.478 17.275 11.633 8.001   0.249  3.533  PRO 9  O     polymer 1 1 74  ? ? ? 
PRD_000011 C50 C50 C 0 1 N N N -1.784 20.209 11.004 7.782   3.061  4.348  PRO 9  CB    polymer 1 1 75  ? ? ? 
PRD_000011 C51 C51 C 0 1 N N N -1.567 19.658 9.625  6.545   3.332  5.218  PRO 9  CG    polymer 1 1 76  ? ? ? 
PRD_000011 C52 C52 C 0 1 N N N -0.143 19.198 9.769  5.335   2.910  4.374  PRO 9  CD    polymer 1 1 77  ? ? ? 
PRD_000011 N12 N12 N 0 1 N N N -2.793 18.226 13.622 8.691   1.077  1.562  SAR 10 N     polymer 1 1 78  ? ? ? 
PRD_000011 C53 C53 C 0 1 N N N -2.556 19.125 14.725 9.368   -0.226 1.345  SAR 10 CA    polymer 1 1 79  ? ? ? 
PRD_000011 C54 C54 C 0 1 N N N -1.892 18.440 15.925 8.793   -0.858 0.104  SAR 10 C     polymer 1 1 80  ? ? ? 
PRD_000011 O15 O15 O 0 1 N N N -1.748 17.216 15.927 8.628   -0.200 -0.902 SAR 10 O     polymer 1 1 81  ? ? ? 
PRD_000011 C55 C55 C 0 1 N N N -3.953 17.379 13.847 8.749   2.173  0.591  SAR 10 CN    polymer 1 1 82  ? ? ? 
PRD_000011 N13 N13 N 0 1 N N N -1.465 19.154 16.982 8.460   -2.179 0.127  MVA 11 N     polymer 1 1 83  ? ? ? 
PRD_000011 C56 C56 C 0 1 N N N -1.491 20.591 16.917 8.692   -3.017 1.306  MVA 11 CN    polymer 1 1 84  ? ? ? 
PRD_000011 C57 C57 C 0 1 N N S -0.683 18.723 18.129 7.849   -2.717 -1.107 MVA 11 CA    polymer 1 1 85  ? ? ? 
PRD_000011 C58 C58 C 0 1 N N N -1.465 17.789 19.105 8.630   -3.948 -1.572 MVA 11 CB    polymer 1 1 86  ? ? ? 
PRD_000011 C59 C59 C 0 1 N N N -0.606 17.480 20.321 7.996   -4.502 -2.849 MVA 11 CG1   polymer 1 1 87  ? ? ? 
PRD_000011 C60 C60 C 0 1 N N N -2.735 18.448 19.631 10.082  -3.556 -1.851 MVA 11 CG2   polymer 1 1 88  ? ? ? 
PRD_000011 C61 C61 C 0 1 N N N 0.639  18.160 17.609 6.422   -3.102 -0.816 MVA 11 C     polymer 1 1 89  ? ? ? 
PRD_000011 O16 O16 O 0 1 N N N 0.731  16.982 17.226 6.117   -4.269 -0.740 MVA 11 O     polymer 1 1 90  ? ? ? 
PRD_000011 H1  H1  H 0 1 N N N 5.154  21.798 10.531 -4.281  1.744  -0.179 THR 1  H     polymer 1 1 91  ? ? ? 
PRD_000011 H2  H2  H 0 1 N N N 3.155  19.614 10.405 -2.481  1.068  2.058  THR 1  HA    polymer 1 1 92  ? ? ? 
PRD_000011 H3  H3  H 0 1 N N N 3.992  18.563 8.425  -4.576  0.900  3.377  THR 1  HB    polymer 1 1 93  ? ? ? 
PRD_000011 H4  H4  H 0 0 N N N 3.147  20.125 6.694  -4.419  3.404  1.640  THR 1  HG21  polymer 1 1 94  ? ? ? 
PRD_000011 H5  H5  H 0 0 N N N 2.100  20.107 8.153  -5.236  3.284  3.217  THR 1  HG22  polymer 1 1 95  ? ? ? 
PRD_000011 H6  H6  H 0 0 N N N 3.234  21.473 7.877  -3.468  3.102  3.114  THR 1  HG23  polymer 1 1 96  ? ? ? 
PRD_000011 H7  H7  H 0 1 N N N 3.616  18.285 11.493 -1.785  -0.883 0.394  DVA 2  H     polymer 1 1 97  ? ? ? 
PRD_000011 H8  H8  H 0 1 N N N 6.167  16.888 10.979 -2.720  -3.259 1.537  DVA 2  HA    polymer 1 1 98  ? ? ? 
PRD_000011 H9  H9  H 0 1 N N N 3.329  16.216 11.395 -2.054  -4.432 -0.528 DVA 2  HB    polymer 1 1 99  ? ? ? 
PRD_000011 H10 H10 H 0 0 N N N 3.633  13.856 11.980 -1.950  -1.631 -1.735 DVA 2  HG11  polymer 1 1 100 ? ? ? 
PRD_000011 H11 H11 H 0 0 N N N 5.354  14.189 12.370 -1.431  -3.129 -2.543 DVA 2  HG12  polymer 1 1 101 ? ? ? 
PRD_000011 H12 H12 H 0 0 N N N 4.050  14.982 13.316 -3.145  -2.888 -2.132 DVA 2  HG13  polymer 1 1 102 ? ? ? 
PRD_000011 H13 H13 H 0 0 N N N 3.784  14.440 9.736  -0.303  -3.490 1.007  DVA 2  HG21  polymer 1 1 103 ? ? ? 
PRD_000011 H14 H14 H 0 0 N N N 4.219  16.096 9.191  0.243   -3.601 -0.684 DVA 2  HG22  polymer 1 1 104 ? ? ? 
PRD_000011 H15 H15 H 0 0 N N N 5.505  14.954 9.709  -0.248  -2.029 -0.009 DVA 2  HG23  polymer 1 1 105 ? ? ? 
PRD_000011 H16 H16 H 0 1 N N N 8.400  17.280 11.982 -6.141  -4.035 -1.882 PRO 3  HA    polymer 1 1 106 ? ? ? 
PRD_000011 H17 H17 H 0 1 N N N 9.436  14.799 13.272 -6.899  -6.263 -0.116 PRO 3  HB2   polymer 1 1 107 ? ? ? 
PRD_000011 H18 H18 H 0 1 N N N 10.189 16.424 13.144 -6.545  -6.285 -1.867 PRO 3  HB3   polymer 1 1 108 ? ? ? 
PRD_000011 H19 H19 H 0 1 N N N 9.254  15.483 15.511 -4.820  -7.108 0.331  PRO 3  HG2   polymer 1 1 109 ? ? ? 
PRD_000011 H20 H20 H 0 1 N N N 9.106  17.219 15.074 -4.489  -7.184 -1.424 PRO 3  HG3   polymer 1 1 110 ? ? ? 
PRD_000011 H21 H21 H 0 1 N N N 6.813  16.631 15.524 -3.217  -5.282 -1.354 PRO 3  HD2   polymer 1 1 111 ? ? ? 
PRD_000011 H22 H22 H 0 1 N N N 7.000  14.995 14.806 -3.245  -5.447 0.422  PRO 3  HD3   polymer 1 1 112 ? ? ? 
PRD_000011 H23 H23 H 0 1 N N N 8.650  17.478 10.348 -9.899  -2.521 0.177  SAR 4  HA2   polymer 1 1 113 ? ? ? 
PRD_000011 H24 H24 H 0 1 N N N 9.533  16.546 9.092  -8.704  -2.760 1.477  SAR 4  HA3   polymer 1 1 114 ? ? ? 
PRD_000011 H25 H25 H 0 1 N N N 7.586  13.487 9.733  -8.177  -3.377 -2.512 SAR 4  HN1   polymer 1 1 115 ? ? ? 
PRD_000011 H26 H26 H 0 1 N N N 7.316  14.600 8.349  -8.642  -1.717 -2.067 SAR 4  HN2   polymer 1 1 116 ? ? ? 
PRD_000011 H27 H27 H 0 1 N N N 8.988  14.138 8.817  -6.922  -2.161 -2.176 SAR 4  HN3   polymer 1 1 117 ? ? ? 
PRD_000011 H28 H28 H 0 1 N N N 9.545  18.752 9.262  -7.992  -1.688 3.153  MVA 5  HN1   polymer 1 1 118 ? ? ? 
PRD_000011 H29 H29 H 0 1 N N N 9.880  19.558 7.693  -8.791  -0.267 3.865  MVA 5  HN2   polymer 1 1 119 ? ? ? 
PRD_000011 H30 H30 H 0 1 N N N 8.630  20.226 8.797  -9.752  -1.482 2.988  MVA 5  HN3   polymer 1 1 120 ? ? ? 
PRD_000011 H31 H31 H 0 1 N N N 7.885  20.144 6.612  -8.303  1.591  0.737  MVA 5  HA    polymer 1 1 121 ? ? ? 
PRD_000011 H32 H32 H 0 1 N N N 8.949  18.213 5.423  -9.327  1.678  3.610  MVA 5  HB    polymer 1 1 122 ? ? ? 
PRD_000011 H33 H33 H 0 0 N N N 7.535  16.804 4.011  -9.317  3.780  1.398  MVA 5  HG11  polymer 1 1 123 ? ? ? 
PRD_000011 H34 H34 H 0 0 N N N 7.350  16.468 5.766  -9.884  4.001  3.071  MVA 5  HG12  polymer 1 1 124 ? ? ? 
PRD_000011 H35 H35 H 0 0 N N N 6.089  17.402 4.892  -8.156  3.725  2.747  MVA 5  HG13  polymer 1 1 125 ? ? ? 
PRD_000011 H36 H36 H 0 0 N N N 8.159  18.851 3.185  -10.959 0.544  2.182  MVA 5  HG21  polymer 1 1 126 ? ? ? 
PRD_000011 H37 H37 H 0 0 N N N 6.794  19.745 3.936  -11.529 2.196  2.517  MVA 5  HG22  polymer 1 1 127 ? ? ? 
PRD_000011 H38 H38 H 0 0 N N N 8.486  20.264 4.244  -10.798 1.809  0.941  MVA 5  HG23  polymer 1 1 128 ? ? ? 
PRD_000011 H39 H39 H 0 0 N N N 2.539  24.525 7.928  -4.394  3.140  -0.185 PXA 6  HN21  polymer 1 1 129 ? ? ? 
PRD_000011 H40 H40 H 0 0 N N N 3.508  23.274 8.331  -5.307  3.828  -1.416 PXA 6  HN22  polymer 1 1 130 ? ? ? 
PRD_000011 H41 H41 H 0 1 N N N 4.092  25.200 18.021 4.003   1.674  -5.388 PXA 6  H7    polymer 1 1 131 ? ? ? 
PRD_000011 H42 H42 H 0 0 N N N 3.085  28.126 12.396 -3.233  5.503  -5.389 PXA 6  H151  polymer 1 1 132 ? ? ? 
PRD_000011 H43 H43 H 0 0 N N N 3.685  28.319 10.714 -1.462  5.671  -5.314 PXA 6  H152  polymer 1 1 133 ? ? ? 
PRD_000011 H44 H44 H 0 0 N N N 1.921  28.196 11.030 -2.190  4.295  -6.177 PXA 6  H153  polymer 1 1 134 ? ? ? 
PRD_000011 H45 H45 H 0 0 N N N 4.756  27.687 16.265 1.693   2.702  -7.197 PXA 6  H161  polymer 1 1 135 ? ? ? 
PRD_000011 H46 H46 H 0 0 N N N 3.085  27.806 15.617 1.511   4.214  -6.276 PXA 6  H162  polymer 1 1 136 ? ? ? 
PRD_000011 H47 H47 H 0 0 N N N 3.351  27.402 17.347 3.135   3.573  -6.623 PXA 6  H163  polymer 1 1 137 ? ? ? 
PRD_000011 H48 H48 H 0 1 N N N 1.857  21.381 15.588 4.010   -0.491 -1.856 THR 7  H     polymer 1 1 138 ? ? ? 
PRD_000011 H49 H49 H 0 1 N N N 3.746  19.240 14.704 2.225   -1.730 0.109  THR 7  HA    polymer 1 1 139 ? ? ? 
PRD_000011 H50 H50 H 0 1 N N N 2.551  17.597 16.184 4.142   -3.252 0.512  THR 7  HB    polymer 1 1 140 ? ? ? 
PRD_000011 H51 H51 H 0 0 N N N 3.902  18.048 18.184 3.511   -2.703 -2.422 THR 7  HG21  polymer 1 1 141 ? ? ? 
PRD_000011 H52 H52 H 0 0 N N N 4.839  18.273 16.668 4.287   -4.186 -1.816 THR 7  HG22  polymer 1 1 142 ? ? ? 
PRD_000011 H53 H53 H 0 0 N N N 4.243  19.704 17.577 2.622   -3.791 -1.329 THR 7  HG23  polymer 1 1 143 ? ? ? 
PRD_000011 H54 H54 H 0 1 N N N 2.886  17.444 13.690 2.193   0.699  1.184  DVA 8  H     polymer 1 1 144 ? ? ? 
PRD_000011 H55 H55 H 0 1 N N N -0.057 17.436 13.432 3.528   0.489  3.635  DVA 8  HA    polymer 1 1 145 ? ? ? 
PRD_000011 H56 H56 H 0 1 N N N 1.975  15.420 12.427 3.376   2.936  3.851  DVA 8  HB    polymer 1 1 146 ? ? ? 
PRD_000011 H57 H57 H 0 0 N N N 0.045  13.897 12.248 2.715   2.919  0.872  DVA 8  HG11  polymer 1 1 147 ? ? ? 
PRD_000011 H58 H58 H 0 0 N N N -1.057 15.238 12.708 2.792   4.345  1.935  DVA 8  HG12  polymer 1 1 148 ? ? ? 
PRD_000011 H59 H59 H 0 0 N N N -0.134 15.322 11.170 4.274   3.434  1.559  DVA 8  HG13  polymer 1 1 149 ? ? ? 
PRD_000011 H60 H60 H 0 0 N N N 1.229  14.094 14.373 1.283   1.682  4.066  DVA 8  HG21  polymer 1 1 150 ? ? ? 
PRD_000011 H61 H61 H 0 0 N N N 2.004  15.641 14.853 0.962   3.216  3.221  DVA 8  HG22  polymer 1 1 151 ? ? ? 
PRD_000011 H62 H62 H 0 0 N N N 0.217  15.476 14.911 1.060   1.695  2.300  DVA 8  HG23  polymer 1 1 152 ? ? ? 
PRD_000011 H63 H63 H 0 1 N N N -0.754 19.718 12.819 7.390   3.150  2.223  PRO 9  HA    polymer 1 1 153 ? ? ? 
PRD_000011 H64 H64 H 0 1 N N N -2.859 20.328 11.204 8.449   2.362  4.852  PRO 9  HB2   polymer 1 1 154 ? ? ? 
PRD_000011 H65 H65 H 0 1 N N N -1.281 21.181 11.112 8.306   3.994  4.139  PRO 9  HB3   polymer 1 1 155 ? ? ? 
PRD_000011 H66 H66 H 0 1 N N N -2.248 18.823 9.404  6.591   2.739  6.131  PRO 9  HG2   polymer 1 1 156 ? ? ? 
PRD_000011 H67 H67 H 0 1 N N N -1.673 20.433 8.851  6.482   4.393  5.461  PRO 9  HG3   polymer 1 1 157 ? ? ? 
PRD_000011 H68 H68 H 0 1 N N N 0.555  20.043 9.677  4.799   3.794  4.028  PRO 9  HD2   polymer 1 1 158 ? ? ? 
PRD_000011 H69 H69 H 0 1 N N N 0.103  18.436 9.015  4.670   2.283  4.969  PRO 9  HD3   polymer 1 1 159 ? ? ? 
PRD_000011 H70 H70 H 0 1 N N N -1.901 19.939 14.379 10.439  -0.066 1.213  SAR 10 HA2   polymer 1 1 160 ? ? ? 
PRD_000011 H71 H71 H 0 1 N N N -3.520 19.543 15.050 9.197   -0.877 2.202  SAR 10 HA3   polymer 1 1 161 ? ? ? 
PRD_000011 H72 H72 H 0 1 N N N -4.094 16.713 12.983 9.118   3.074  1.082  SAR 10 HN1   polymer 1 1 162 ? ? ? 
PRD_000011 H73 H73 H 0 1 N N N -3.796 16.776 14.753 9.422   1.901  -0.223 SAR 10 HN2   polymer 1 1 163 ? ? ? 
PRD_000011 H74 H74 H 0 1 N N N -4.847 18.008 13.975 7.752   2.358  0.192  SAR 10 HN3   polymer 1 1 164 ? ? ? 
PRD_000011 H75 H75 H 0 1 N N N -2.084 20.909 16.047 8.074   -2.664 2.131  MVA 11 HN1   polymer 1 1 165 ? ? ? 
PRD_000011 H76 H76 H 0 1 N N N -1.945 20.991 17.836 8.433   -4.050 1.074  MVA 11 HN2   polymer 1 1 166 ? ? ? 
PRD_000011 H77 H77 H 0 1 N N N -0.464 20.972 16.819 9.743   -2.961 1.590  MVA 11 HN3   polymer 1 1 167 ? ? ? 
PRD_000011 H78 H78 H 0 1 N N N -0.430 19.623 18.708 7.871   -1.955 -1.887 MVA 11 HA    polymer 1 1 168 ? ? ? 
PRD_000011 H79 H79 H 0 1 N N N -1.721 16.855 18.584 8.603   -4.710 -0.793 MVA 11 HB    polymer 1 1 169 ? ? ? 
PRD_000011 H80 H80 H 0 0 N N N -1.161 16.822 21.005 8.023   -3.740 -3.628 MVA 11 HG11  polymer 1 1 170 ? ? ? 
PRD_000011 H81 H81 H 0 0 N N N 0.318  16.978 19.999 8.552   -5.379 -3.180 MVA 11 HG12  polymer 1 1 171 ? ? ? 
PRD_000011 H82 H82 H 0 0 N N N -0.353 18.417 20.839 6.962   -4.781 -2.650 MVA 11 HG13  polymer 1 1 172 ? ? ? 
PRD_000011 H83 H83 H 0 0 N N N -3.252 17.757 20.312 10.109  -2.793 -2.630 MVA 11 HG21  polymer 1 1 173 ? ? ? 
PRD_000011 H84 H84 H 0 0 N N N -2.473 19.369 20.173 10.533  -3.161 -0.941 MVA 11 HG22  polymer 1 1 174 ? ? ? 
PRD_000011 H85 H85 H 0 0 N N N -3.396 18.695 18.787 10.638  -4.433 -2.182 MVA 11 HG23  polymer 1 1 175 ? ? ? 
# 
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 
PRD_000011 N1  C1  SING N N 1   
PRD_000011 N1  H1  SING N N 2   
PRD_000011 C1  C2  SING N N 3   
PRD_000011 C1  C3  SING N N 4   
PRD_000011 C1  H2  SING N N 5   
PRD_000011 C2  O1  DOUB N N 6   
PRD_000011 C3  O2  SING N N 7   
PRD_000011 C3  C4  SING N N 8   
PRD_000011 C3  H3  SING N N 9   
PRD_000011 C4  H4  SING N N 10  
PRD_000011 C4  H5  SING N N 11  
PRD_000011 C4  H6  SING N N 12  
PRD_000011 N2  C5  SING N N 13  
PRD_000011 N2  H7  SING N N 14  
PRD_000011 C5  C6  SING N N 15  
PRD_000011 C5  C9  SING N N 16  
PRD_000011 C5  H8  SING N N 17  
PRD_000011 C6  C7  SING N N 18  
PRD_000011 C6  C8  SING N N 19  
PRD_000011 C6  H9  SING N N 20  
PRD_000011 C7  H10 SING N N 21  
PRD_000011 C7  H11 SING N N 22  
PRD_000011 C7  H12 SING N N 23  
PRD_000011 C8  H13 SING N N 24  
PRD_000011 C8  H14 SING N N 25  
PRD_000011 C8  H15 SING N N 26  
PRD_000011 C9  O3  DOUB N N 27  
PRD_000011 N3  C10 SING N N 28  
PRD_000011 N3  C14 SING N N 29  
PRD_000011 C10 C11 SING N N 30  
PRD_000011 C10 C12 SING N N 31  
PRD_000011 C10 H16 SING N N 32  
PRD_000011 C11 O4  DOUB N N 33  
PRD_000011 C12 C13 SING N N 34  
PRD_000011 C12 H17 SING N N 35  
PRD_000011 C12 H18 SING N N 36  
PRD_000011 C13 C14 SING N N 37  
PRD_000011 C13 H19 SING N N 38  
PRD_000011 C13 H20 SING N N 39  
PRD_000011 C14 H21 SING N N 40  
PRD_000011 C14 H22 SING N N 41  
PRD_000011 N4  C15 SING N N 42  
PRD_000011 N4  C17 SING N N 43  
PRD_000011 C15 C16 SING N N 44  
PRD_000011 C15 H23 SING N N 45  
PRD_000011 C15 H24 SING N N 46  
PRD_000011 C16 O5  DOUB N N 47  
PRD_000011 C17 H25 SING N N 48  
PRD_000011 C17 H26 SING N N 49  
PRD_000011 C17 H27 SING N N 50  
PRD_000011 N5  C18 SING N N 51  
PRD_000011 N5  C19 SING N N 52  
PRD_000011 C18 H28 SING N N 53  
PRD_000011 C18 H29 SING N N 54  
PRD_000011 C18 H30 SING N N 55  
PRD_000011 C19 C20 SING N N 56  
PRD_000011 C19 C23 SING N N 57  
PRD_000011 C19 H31 SING N N 58  
PRD_000011 C20 C21 SING N N 59  
PRD_000011 C20 C22 SING N N 60  
PRD_000011 C20 H32 SING N N 61  
PRD_000011 C21 H33 SING N N 62  
PRD_000011 C21 H34 SING N N 63  
PRD_000011 C21 H35 SING N N 64  
PRD_000011 C22 H36 SING N N 65  
PRD_000011 C22 H37 SING N N 66  
PRD_000011 C22 H38 SING N N 67  
PRD_000011 C23 O6  DOUB N N 68  
PRD_000011 C24 C25 SING N N 69  
PRD_000011 C24 C26 DOUB Y N 70  
PRD_000011 C24 C33 SING Y N 71  
PRD_000011 C25 O7  DOUB N N 72  
PRD_000011 C26 N6  SING N N 73  
PRD_000011 C26 C27 SING Y N 74  
PRD_000011 N6  H39 SING N N 75  
PRD_000011 N6  H40 SING N N 76  
PRD_000011 C27 O8  DOUB N N 77  
PRD_000011 C27 C28 SING Y N 78  
PRD_000011 C28 C34 DOUB Y N 79  
PRD_000011 C28 C37 SING N N 80  
PRD_000011 O9  C34 SING Y N 81  
PRD_000011 O9  C35 SING Y N 82  
PRD_000011 C29 C30 SING Y N 83  
PRD_000011 C29 C35 DOUB Y N 84  
PRD_000011 C29 C38 SING N N 85  
PRD_000011 C30 N7  DOUB Y N 86  
PRD_000011 C30 H41 SING N N 87  
PRD_000011 N7  C31 SING Y N 88  
PRD_000011 C31 C32 SING N N 89  
PRD_000011 C31 C36 DOUB Y N 90  
PRD_000011 C32 O10 DOUB N N 91  
PRD_000011 N8  C33 DOUB Y N 92  
PRD_000011 N8  C36 SING Y N 93  
PRD_000011 C33 C34 SING Y N 94  
PRD_000011 C35 C36 SING Y N 95  
PRD_000011 C37 H42 SING N N 96  
PRD_000011 C37 H43 SING N N 97  
PRD_000011 C37 H44 SING N N 98  
PRD_000011 C38 H45 SING N N 99  
PRD_000011 C38 H46 SING N N 100 
PRD_000011 C38 H47 SING N N 101 
PRD_000011 N9  C39 SING N N 102 
PRD_000011 N9  H48 SING N N 103 
PRD_000011 C39 C40 SING N N 104 
PRD_000011 C39 C41 SING N N 105 
PRD_000011 C39 H49 SING N N 106 
PRD_000011 C40 O11 DOUB N N 107 
PRD_000011 C41 O12 SING N N 108 
PRD_000011 C41 C42 SING N N 109 
PRD_000011 C41 H50 SING N N 110 
PRD_000011 C42 H51 SING N N 111 
PRD_000011 C42 H52 SING N N 112 
PRD_000011 C42 H53 SING N N 113 
PRD_000011 N10 C43 SING N N 114 
PRD_000011 N10 H54 SING N N 115 
PRD_000011 C43 C44 SING N N 116 
PRD_000011 C43 C47 SING N N 117 
PRD_000011 C43 H55 SING N N 118 
PRD_000011 C44 C45 SING N N 119 
PRD_000011 C44 C46 SING N N 120 
PRD_000011 C44 H56 SING N N 121 
PRD_000011 C45 H57 SING N N 122 
PRD_000011 C45 H58 SING N N 123 
PRD_000011 C45 H59 SING N N 124 
PRD_000011 C46 H60 SING N N 125 
PRD_000011 C46 H61 SING N N 126 
PRD_000011 C46 H62 SING N N 127 
PRD_000011 C47 O13 DOUB N N 128 
PRD_000011 N11 C48 SING N N 129 
PRD_000011 N11 C52 SING N N 130 
PRD_000011 C48 C49 SING N N 131 
PRD_000011 C48 C50 SING N N 132 
PRD_000011 C48 H63 SING N N 133 
PRD_000011 C49 O14 DOUB N N 134 
PRD_000011 C50 C51 SING N N 135 
PRD_000011 C50 H64 SING N N 136 
PRD_000011 C50 H65 SING N N 137 
PRD_000011 C51 C52 SING N N 138 
PRD_000011 C51 H66 SING N N 139 
PRD_000011 C51 H67 SING N N 140 
PRD_000011 C52 H68 SING N N 141 
PRD_000011 C52 H69 SING N N 142 
PRD_000011 N12 C53 SING N N 143 
PRD_000011 N12 C55 SING N N 144 
PRD_000011 C53 C54 SING N N 145 
PRD_000011 C53 H70 SING N N 146 
PRD_000011 C53 H71 SING N N 147 
PRD_000011 C54 O15 DOUB N N 148 
PRD_000011 C55 H72 SING N N 149 
PRD_000011 C55 H73 SING N N 150 
PRD_000011 C55 H74 SING N N 151 
PRD_000011 N13 C56 SING N N 152 
PRD_000011 N13 C57 SING N N 153 
PRD_000011 C56 H75 SING N N 154 
PRD_000011 C56 H76 SING N N 155 
PRD_000011 C56 H77 SING N N 156 
PRD_000011 C57 C58 SING N N 157 
PRD_000011 C57 C61 SING N N 158 
PRD_000011 C57 H78 SING N N 159 
PRD_000011 C58 C59 SING N N 160 
PRD_000011 C58 C60 SING N N 161 
PRD_000011 C58 H79 SING N N 162 
PRD_000011 C59 H80 SING N N 163 
PRD_000011 C59 H81 SING N N 164 
PRD_000011 C59 H82 SING N N 165 
PRD_000011 C60 H83 SING N N 166 
PRD_000011 C60 H84 SING N N 167 
PRD_000011 C60 H85 SING N N 168 
PRD_000011 C61 O16 DOUB N N 169 
PRD_000011 C2  N2  SING N N 170 
PRD_000011 O2  C23 SING N N 171 
PRD_000011 N1  C25 SING N N 172 
PRD_000011 C9  N3  SING N N 173 
PRD_000011 C11 N4  SING N N 174 
PRD_000011 C16 N5  SING N N 175 
PRD_000011 C32 N9  SING N N 176 
PRD_000011 C40 N10 SING N N 177 
PRD_000011 O12 C61 SING N N 178 
PRD_000011 C47 N11 SING N N 179 
PRD_000011 C49 N12 SING N N 180 
PRD_000011 C54 N13 SING N N 181 
# 
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 
PRD_000011 SMILES           ACDLabs              12.01 "O=C2N1CCCC1C(=O)N(C)CC(=O)N(C)C(C(=O)OC(C)C(C(=O)NC2C(C)C)NC(=O)c4ncc(c3OC5=C(C(=O)C(N)=C(C5=Nc34)C(=O)NC7C(=O)NC(C(=O)N6CCCC6C(=O)N(C)CC(=O)N(C)C(C(=O)OC7C)C(C)C)C(C)C)C)C)C(C)C"                                                                                                                                                                                                                                                                        
PRD_000011 InChI            InChI                1.03  "InChI=1S/C61H85N13O16/c1-26(2)40-58(84)73-21-17-19-34(73)56(82)69(13)24-36(75)71(15)47(28(5)6)60(86)88-32(11)42(53(79)65-40)67-52(78)38-39(62)49(77)31(10)51-44(38)64-45-46(63-23-30(9)50(45)90-51)55(81)68-43-33(12)89-61(87)48(29(7)8)72(16)37(76)25-70(14)57(83)35-20-18-22-74(35)59(85)41(27(3)4)66-54(43)80/h23,26-29,32-35,40-43,47-48H,17-22,24-25,62H2,1-16H3,(H,65,79)(H,66,80)(H,67,78)(H,68,81)/t32-,33-,34-,35-,40-,41+,42+,43+,47-,48-/m1/s1" 
PRD_000011 InChIKey         InChI                1.03  DVAQENANCBGZCP-QPIXHXGJSA-N                                                                                                                                                                                                                                                                                                                                                                                                                                 
PRD_000011 SMILES_CANONICAL CACTVS               3.370 "CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)c2ncc(C)c3OC4=C(C)C(=O)C(=C(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)C4=Nc23)N)[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@H]7CCCN7C1=O"                                                                                                                                                                                                                          
PRD_000011 SMILES           CACTVS               3.370 "CC(C)[CH]1NC(=O)[CH](NC(=O)c2ncc(C)c3OC4=C(C)C(=O)C(=C(C(=O)N[CH]5[CH](C)OC(=O)[CH](C(C)C)N(C)C(=O)CN(C)C(=O)[CH]6CCCN6C(=O)[CH](NC5=O)C(C)C)C4=Nc23)N)[CH](C)OC(=O)[CH](C(C)C)N(C)C(=O)CN(C)C(=O)[CH]7CCCN7C1=O"                                                                                                                                                                                                                                          
PRD_000011 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "Cc1cnc(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)N[C@H]4[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]5CCCN5C(=O)[C@H](NC4=O)C(C)C)C)C)C(C)C)C)N)C)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C"                                                                                                                                                                                                                            
PRD_000011 SMILES           "OpenEye OEToolkits" 1.7.6 "Cc1cnc(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)NC4C(OC(=O)C(N(C(=O)CN(C(=O)C5CCCN5C(=O)C(NC4=O)C(C)C)C)C)C(C)C)C)N)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C"                                                                                                                                                                                                                                                                        
# 
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 
PRD_000011 "SYSTEMATIC NAME" ACDLabs              12.01 "8-amino-4,6-dimethyl-7-oxo-N~9~-[(6R,9R,10S,13R,18aR)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-N~1~-[(6R,9R,10S,13S,18aR)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-7H-pyrido[4,3-b][1,4]benzoxazine-1,9-dicarboxamide" 
PRD_000011 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "8-azanyl-4,6-dimethyl-7-oxidanylidene-N1,N9-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]pyrido[4,3-b][1,4]benzoxazine-1,9-dicarboxamide"                                                                                                                                                              
# 
