data_7AO
# 
_chem_comp.id                                    7AO 
_chem_comp.name                                  
;[(3~{Z},5~{S},6~{S},7~{S},8~{R},9~{S},11~{Z},13~{S},14~{S},15~{S},16~{Z},18~{S})-19-[(2~{S},3~{R},4~{S},5~{R})-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] ~{N}-[3-[(3-azidophenyl)carbonylamino]propyl]carbamate
;
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C43 H65 N5 O9" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2016-09-23 
_chem_comp.pdbx_modified_date                    2017-09-15 
_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                        796.004 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     7AO 
_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        5LXS 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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 
7AO C5    C1  C 0  1 N N S -0.093 64.944 24.826 10.645  0.786  0.274  C5    7AO 1   
7AO C4    C2  C 0  1 N N R -0.423 65.608 26.140 11.984  0.548  0.978  C4    7AO 2   
7AO C2    C3  C 0  1 N N R 2.038  65.688 26.578 11.969  -1.817 0.183  C2    7AO 3   
7AO C6    C4  C 0  1 N N N -1.225 63.992 24.465 9.826   1.808  1.064  C6    7AO 4   
7AO N82   N1  N -1 1 N N N -3.209 74.318 27.720 -17.984 0.714  1.945  N82   7AO 5   
7AO N81   N2  N 1  1 N N N -4.093 73.735 27.752 -17.154 0.466  1.229  N81   7AO 6   
7AO "N8'" N3  N 0  1 N N N -4.972 73.149 27.815 -16.325 0.218  0.512  "N8'" 7AO 7   
7AO "C8'" C5  C 0  1 Y N N -5.593 72.745 26.700 -15.061 0.331  0.896  "C8'" 7AO 8   
7AO "C7'" C6  C 0  1 Y N N -6.170 71.480 26.581 -14.011 0.020  -0.003 "C7'" 7AO 9   
7AO "C9'" C7  C 0  1 Y N N -5.667 73.649 25.668 -14.750 0.771  2.207  "C9'" 7AO 10  
7AO C40   C8  C 0  1 Y N N -6.318 73.297 24.499 -13.447 0.886  2.598  C40   7AO 11  
7AO C41   C9  C 0  1 Y N N -6.890 72.039 24.382 -12.417 0.577  1.724  C41   7AO 12  
7AO "C6'" C10 C 0  1 Y N N -6.822 71.127 25.419 -12.695 0.146  0.419  "C6'" 7AO 13  
7AO "C5'" C11 C 0  1 N N N -7.376 69.865 25.325 -11.587 -0.182 -0.504 "C5'" 7AO 14  
7AO "O5'" O1  O 0  1 N N N -7.703 69.404 24.244 -11.829 -0.555 -1.635 "O5'" 7AO 15  
7AO "N4'" N4  N 0  1 N N N -7.503 69.213 26.473 -10.309 -0.065 -0.092 "N4'" 7AO 16  
7AO "C4'" C12 C 0  1 N N N -7.909 67.802 26.548 -9.212  -0.389 -1.007 "C4'" 7AO 17  
7AO "C3'" C13 C 0  1 N N N -7.685 67.205 27.933 -7.875  -0.174 -0.295 "C3'" 7AO 18  
7AO "C2'" C14 C 0  1 N N N -6.188 67.140 28.236 -6.728  -0.512 -1.250 "C2'" 7AO 19  
7AO "N1'" N5  N 0  1 N N N -5.551 66.025 27.530 -5.448  -0.306 -0.569 "N1'" 7AO 20  
7AO "C1'" C15 C 0  1 N N N -5.266 64.853 28.104 -4.292  -0.543 -1.221 "C1'" 7AO 21  
7AO "O1'" O2  O 0  1 N N N -5.525 64.681 29.288 -4.312  -0.928 -2.373 "O1'" 7AO 22  
7AO O19   O3  O 0  1 N N N -4.690 63.878 27.350 -3.115  -0.354 -0.595 O19   7AO 23  
7AO C19   C16 C 0  1 N N S -4.474 62.588 27.930 -1.911  -0.629 -1.358 C19   7AO 24  
7AO C20   C17 C 0  1 N N S -5.282 61.561 27.145 -1.465  0.642  -2.083 C20   7AO 25  
7AO C32   C18 C 0  1 N N N -6.760 61.748 27.447 -2.574  1.105  -3.030 C32   7AO 26  
7AO C21   C19 C 0  1 N N N -5.045 61.764 25.650 -1.183  1.724  -1.072 C21   7AO 27  
7AO C22   C20 C 0  1 N N N -4.831 60.699 24.900 -0.017  2.361  -1.088 C22   7AO 28  
7AO C23   C21 C 0  1 N N N -4.838 59.336 25.578 0.937   2.122  -2.182 C23   7AO 29  
7AO C24   C22 C 0  1 N N N -4.620 58.309 24.785 2.123   2.721  -2.173 C24   7AO 30  
7AO C18   C23 C 0  1 N N S -2.972 62.268 27.879 -0.802  -1.092 -0.411 C18   7AO 31  
7AO C31   C24 C 0  1 N N N -2.242 63.165 28.864 -1.248  -2.363 0.314  C31   7AO 32  
7AO C17   C25 C 0  1 N N R -2.693 60.798 28.209 0.467   -1.382 -1.215 C17   7AO 33  
7AO O17   O4  O 0  1 N N N -2.916 60.555 29.585 0.168   -2.310 -2.259 O17   7AO 34  
7AO C16   C26 C 0  1 N N S -1.260 60.406 27.845 1.531   -1.979 -0.291 C16   7AO 35  
7AO C30   C27 C 0  1 N N N -1.065 58.957 28.237 2.814   -2.229 -1.086 C30   7AO 36  
7AO C15   C28 C 0  1 N N N -1.039 60.546 26.345 1.820   -1.004 0.851  C15   7AO 37  
7AO C14   C29 C 0  1 N N N 0.421  60.288 25.958 2.683   -1.682 1.884  C14   7AO 38  
7AO C29   C30 C 0  1 N N N 1.555  60.927 26.745 2.047   -2.510 2.971  C29   7AO 39  
7AO C13   C31 C 0  1 N N N 0.742  59.520 24.937 3.986   -1.551 1.837  C13   7AO 40  
7AO C12   C32 C 0  1 N N S -0.373 58.873 24.127 4.612   -0.599 0.852  C12   7AO 41  
7AO C28   C33 C 0  1 N N N -0.327 57.380 24.395 5.680   -1.335 0.040  C28   7AO 42  
7AO C11   C34 C 0  1 N N S -0.125 59.088 22.630 5.259   0.564  1.607  C11   7AO 43  
7AO O11   O5  O 0  1 N N N -0.999 58.256 21.886 6.341   0.075  2.401  O11   7AO 44  
7AO C10   C35 C 0  1 N N S -0.360 60.540 22.214 5.785   1.594  0.605  C10   7AO 45  
7AO C27   C36 C 0  1 N N N -0.141 60.653 20.708 4.626   2.118  -0.244 C27   7AO 46  
7AO C9    C37 C 0  1 N N N -1.794 60.949 22.523 6.422   2.739  1.349  C9    7AO 47  
7AO C8    C38 C 0  1 N N N -2.021 62.148 23.030 7.677   3.044  1.132  C8    7AO 48  
7AO C7    C39 C 0  1 N N S -0.858 63.084 23.296 8.541   2.132  0.299  C7    7AO 49  
7AO O7    O6  O 0  1 N N N -0.667 63.881 22.148 8.870   2.781  -0.931 O7    7AO 50  
7AO O5    O7  O 0  1 N N N 1.129  64.221 24.962 9.914   -0.471 0.200  O5    7AO 51  
7AO C1    C40 C 0  1 N N N 2.226  64.825 25.499 10.586  -1.506 -0.347 C1    7AO 52  
7AO O1    O8  O 0  1 N N N 3.350  64.617 25.081 10.097  -2.165 -1.233 O1    7AO 53  
7AO C25   C41 C 0  1 N N N 2.038  64.891 27.870 11.862  -2.391 1.597  C25   7AO 54  
7AO C3    C42 C 0  1 N N S 0.744  66.498 26.510 12.779  -0.515 0.213  C3    7AO 55  
7AO O3    O9  O 0  1 N N N 0.881  67.507 25.534 13.014  -0.067 -1.123 O3    7AO 56  
7AO C26   C43 C 0  1 N N N -1.665 66.472 25.994 12.781  1.854  1.014  C26   7AO 57  
7AO H1    H1  H 0  1 N N N -0.002 65.711 24.043 10.826  1.162  -0.733 H1    7AO 58  
7AO H2    H2  H 0  1 N N N -0.582 64.849 26.920 11.803  0.204  1.997  H2    7AO 59  
7AO H3    H3  H 0  1 N N N 2.874  66.401 26.624 12.458  -2.539 -0.471 H3    7AO 60  
7AO H4    H4  H 0  1 N N N -2.112 64.583 24.191 9.573   1.395  2.040  H4    7AO 61  
7AO H5    H5  H 0  1 N N N -1.456 63.368 25.340 10.410  2.719  1.195  H5    7AO 62  
7AO H7    H7  H 0  1 N N N -6.106 70.778 27.399 -14.232 -0.312 -1.006 H7    7AO 63  
7AO H8    H8  H 0  1 N N N -5.220 74.627 25.769 -15.543 1.014  2.898  H8    7AO 64  
7AO H9    H9  H 0  1 N N N -6.380 73.999 23.681 -13.217 1.222  3.598  H9    7AO 65  
7AO H10   H10 H 0  1 N N N -7.396 71.768 23.467 -11.392 0.673  2.049  H10   7AO 66  
7AO H11   H11 H 0  1 N N N -7.314 69.702 27.324 -10.116 0.233  0.811  H11   7AO 67  
7AO H12   H12 H 0  1 N N N -8.978 67.729 26.300 -9.294  -1.430 -1.318 H12   7AO 68  
7AO H13   H13 H 0  1 N N N -7.323 67.227 25.816 -9.266  0.258  -1.882 H13   7AO 69  
7AO H14   H14 H 0  1 N N N -8.183 67.834 28.686 -7.792  0.867  0.017  H14   7AO 70  
7AO H15   H15 H 0  1 N N N -8.108 66.190 27.965 -7.821  -0.821 0.581  H15   7AO 71  
7AO H16   H16 H 0  1 N N N -6.047 67.006 29.319 -6.811  -1.554 -1.562 H16   7AO 72  
7AO H17   H17 H 0  1 N N N -5.717 68.082 27.918 -6.782  0.134  -2.126 H17   7AO 73  
7AO H18   H18 H 0  1 N N N -5.317 66.148 26.566 -5.432  0.001  0.351  H18   7AO 74  
7AO H19   H19 H 0  1 N N N -4.805 62.580 28.979 -2.115  -1.411 -2.089 H19   7AO 75  
7AO H20   H20 H 0  1 N N N -4.970 60.546 27.434 -0.561  0.436  -2.655 H20   7AO 76  
7AO H21   H21 H 0  1 N N N -6.936 61.603 28.523 -2.256  2.011  -3.546 H21   7AO 77  
7AO H22   H22 H 0  1 N N N -7.067 62.764 27.159 -2.778  0.323  -3.760 H22   7AO 78  
7AO H23   H23 H 0  1 N N N -7.347 61.012 26.877 -3.478  1.312  -2.457 H23   7AO 79  
7AO H24   H24 H 0  1 N N N -5.052 62.754 25.217 -1.929  1.982  -0.335 H24   7AO 80  
7AO H25   H25 H 0  1 N N N -4.656 60.792 23.838 0.230   3.054  -0.298 H25   7AO 81  
7AO H26   H26 H 0  1 N N N -5.010 59.220 26.638 0.673   1.459  -2.993 H26   7AO 82  
7AO H27   H27 H 0  1 N N N -4.609 57.308 25.189 2.823   2.545  -2.976 H27   7AO 83  
7AO H28   H28 H 0  1 N N N -4.452 58.467 23.730 2.386   3.383  -1.362 H28   7AO 84  
7AO H29   H29 H 0  1 N N N -2.602 62.478 26.865 -0.598  -0.309 0.320  H29   7AO 85  
7AO H30   H30 H 0  1 N N N -1.165 62.943 28.834 -2.195  -2.179 0.822  H30   7AO 86  
7AO H31   H31 H 0  1 N N N -2.407 64.218 28.592 -1.374  -3.169 -0.409 H31   7AO 87  
7AO H32   H32 H 0  1 N N N -2.626 62.984 29.879 -0.493  -2.648 1.047  H32   7AO 88  
7AO H33   H33 H 0  1 N N N -3.378 60.179 27.610 0.842   -0.455 -1.649 H33   7AO 89  
7AO H34   H34 H 0  1 N N N -3.806 60.799 29.810 -0.172  -3.159 -1.946 H34   7AO 90  
7AO H35   H35 H 0  1 N N N -0.548 61.044 28.390 1.168   -2.922 0.119  H35   7AO 91  
7AO H36   H36 H 0  1 N N N -1.223 58.845 29.320 3.233   -1.276 -1.408 H36   7AO 92  
7AO H37   H37 H 0  1 N N N -1.788 58.330 27.695 3.536   -2.749 -0.456 H37   7AO 93  
7AO H38   H38 H 0  1 N N N -0.042 58.642 27.981 2.587   -2.840 -1.959 H38   7AO 94  
7AO H39   H39 H 0  1 N N N -1.314 61.566 26.038 2.341   -0.130 0.460  H39   7AO 95  
7AO H40   H40 H 0  1 N N N -1.679 59.821 25.822 0.882   -0.692 1.310  H40   7AO 96  
7AO H41   H41 H 0  1 N N N 1.138  61.535 27.561 1.956   -3.543 2.635  H41   7AO 97  
7AO H42   H42 H 0  1 N N N 2.198  60.140 27.166 2.668   -2.473 3.866  H42   7AO 98  
7AO H43   H43 H 0  1 N N N 2.149  61.568 26.077 1.058   -2.113 3.199  H43   7AO 99  
7AO H44   H44 H 0  1 N N N 1.777  59.352 24.679 4.610   -2.126 2.505  H44   7AO 100 
7AO H45   H45 H 0  1 N N N -1.350 59.288 24.416 3.845   -0.214 0.180  H45   7AO 101 
7AO H46   H46 H 0  1 N N N -0.502 57.193 25.465 6.498   -1.628 0.697  H46   7AO 102 
7AO H47   H47 H 0  1 N N N -1.106 56.877 23.803 5.242   -2.223 -0.415 H47   7AO 103 
7AO H48   H48 H 0  1 N N N 0.660  56.987 24.111 6.059   -0.677 -0.742 H48   7AO 104 
7AO H49   H49 H 0  1 N N N 0.921  58.827 22.410 4.517   1.034  2.254  H49   7AO 105 
7AO H50   H50 H 0  1 N N N -0.863 57.350 22.135 7.040   -0.357 1.889  H50   7AO 106 
7AO H51   H51 H 0  1 N N N 0.342  61.200 22.745 6.527   1.124  -0.042 H51   7AO 107 
7AO H52   H52 H 0  1 N N N 0.891  60.361 20.464 3.885   2.588  0.403  H52   7AO 108 
7AO H53   H53 H 0  1 N N N -0.843 59.988 20.185 5.001   2.851  -0.958 H53   7AO 109 
7AO H54   H54 H 0  1 N N N -0.313 61.692 20.389 4.166   1.289  -0.782 H54   7AO 110 
7AO H55   H55 H 0  1 N N N -2.612 60.270 22.331 5.843   3.309  2.061  H55   7AO 111 
7AO H56   H56 H 0  1 N N N -3.030 62.460 23.254 8.093   3.949  1.551  H56   7AO 112 
7AO H57   H57 H 0  1 N N N 0.044  62.504 23.541 8.000   1.210  0.090  H57   7AO 113 
7AO H58   H58 H 0  1 N N N 0.059  64.477 22.293 9.286   3.647  -0.821 H58   7AO 114 
7AO H59   H59 H 0  1 N N N 1.890  65.572 28.721 11.277  -3.311 1.572  H59   7AO 115 
7AO H60   H60 H 0  1 N N N 1.223  64.152 27.845 12.860  -2.605 1.978  H60   7AO 116 
7AO H61   H61 H 0  1 N N N 3.001  64.371 27.980 11.372  -1.666 2.247  H61   7AO 117 
7AO H62   H62 H 0  1 N N N 0.554  66.944 27.497 13.731  -0.689 0.715  H62   7AO 118 
7AO H63   H63 H 0  1 N N N 1.612  68.070 25.760 13.514  -0.692 -1.665 H63   7AO 119 
7AO H64   H64 H 0  1 N N N -1.895 66.950 26.958 12.214  2.610  1.557  H64   7AO 120 
7AO H65   H65 H 0  1 N N N -1.485 67.247 25.234 13.733  1.684  1.516  H65   7AO 121 
7AO H66   H66 H 0  1 N N N -2.514 65.844 25.684 12.962  2.197  -0.004 H66   7AO 122 
# 
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 
7AO C27   C10   SING N N 1   
7AO O11   C11   SING N N 2   
7AO O7    C7    SING N N 3   
7AO C10   C9    SING N N 4   
7AO C10   C11   SING N N 5   
7AO C9    C8    DOUB N Z 6   
7AO C11   C12   SING N N 7   
7AO C8    C7    SING N N 8   
7AO C7    C6    SING N N 9   
7AO C12   C28   SING N N 10  
7AO C12   C13   SING N N 11  
7AO "O5'" "C5'" DOUB N N 12  
7AO C41   C40   DOUB Y N 13  
7AO C41   "C6'" SING Y N 14  
7AO C6    C5    SING N N 15  
7AO C40   "C9'" SING Y N 16  
7AO C24   C23   DOUB N N 17  
7AO C5    O5    SING N N 18  
7AO C5    C4    SING N N 19  
7AO C22   C23   SING N N 20  
7AO C22   C21   DOUB N Z 21  
7AO C13   C14   DOUB N Z 22  
7AO O5    C1    SING N N 23  
7AO O1    C1    DOUB N N 24  
7AO "C5'" "C6'" SING N N 25  
7AO "C5'" "N4'" SING N N 26  
7AO "C6'" "C7'" DOUB Y N 27  
7AO C1    C2    SING N N 28  
7AO O3    C3    SING N N 29  
7AO C21   C20   SING N N 30  
7AO "C9'" "C8'" DOUB Y N 31  
7AO C14   C15   SING N N 32  
7AO C14   C29   SING N N 33  
7AO C26   C4    SING N N 34  
7AO C4    C3    SING N N 35  
7AO C15   C16   SING N N 36  
7AO "N4'" "C4'" SING N N 37  
7AO C3    C2    SING N N 38  
7AO "C4'" "C3'" SING N N 39  
7AO C2    C25   SING N N 40  
7AO "C7'" "C8'" SING Y N 41  
7AO "C8'" "N8'" SING N N 42  
7AO C20   C32   SING N N 43  
7AO C20   C19   SING N N 44  
7AO O19   C19   SING N N 45  
7AO O19   "C1'" SING N N 46  
7AO "N1'" "C1'" SING N N 47  
7AO "N1'" "C2'" SING N N 48  
7AO N82   N81   DOUB N N 49  
7AO N81   "N8'" DOUB N N 50  
7AO C16   C17   SING N N 51  
7AO C16   C30   SING N N 52  
7AO C18   C19   SING N N 53  
7AO C18   C17   SING N N 54  
7AO C18   C31   SING N N 55  
7AO "C3'" "C2'" SING N N 56  
7AO "C1'" "O1'" DOUB N N 57  
7AO C17   O17   SING N N 58  
7AO C5    H1    SING N N 59  
7AO C4    H2    SING N N 60  
7AO C2    H3    SING N N 61  
7AO C6    H4    SING N N 62  
7AO C6    H5    SING N N 63  
7AO "C7'" H7    SING N N 64  
7AO "C9'" H8    SING N N 65  
7AO C40   H9    SING N N 66  
7AO C41   H10   SING N N 67  
7AO "N4'" H11   SING N N 68  
7AO "C4'" H12   SING N N 69  
7AO "C4'" H13   SING N N 70  
7AO "C3'" H14   SING N N 71  
7AO "C3'" H15   SING N N 72  
7AO "C2'" H16   SING N N 73  
7AO "C2'" H17   SING N N 74  
7AO "N1'" H18   SING N N 75  
7AO C19   H19   SING N N 76  
7AO C20   H20   SING N N 77  
7AO C32   H21   SING N N 78  
7AO C32   H22   SING N N 79  
7AO C32   H23   SING N N 80  
7AO C21   H24   SING N N 81  
7AO C22   H25   SING N N 82  
7AO C23   H26   SING N N 83  
7AO C24   H27   SING N N 84  
7AO C24   H28   SING N N 85  
7AO C18   H29   SING N N 86  
7AO C31   H30   SING N N 87  
7AO C31   H31   SING N N 88  
7AO C31   H32   SING N N 89  
7AO C17   H33   SING N N 90  
7AO O17   H34   SING N N 91  
7AO C16   H35   SING N N 92  
7AO C30   H36   SING N N 93  
7AO C30   H37   SING N N 94  
7AO C30   H38   SING N N 95  
7AO C15   H39   SING N N 96  
7AO C15   H40   SING N N 97  
7AO C29   H41   SING N N 98  
7AO C29   H42   SING N N 99  
7AO C29   H43   SING N N 100 
7AO C13   H44   SING N N 101 
7AO C12   H45   SING N N 102 
7AO C28   H46   SING N N 103 
7AO C28   H47   SING N N 104 
7AO C28   H48   SING N N 105 
7AO C11   H49   SING N N 106 
7AO O11   H50   SING N N 107 
7AO C10   H51   SING N N 108 
7AO C27   H52   SING N N 109 
7AO C27   H53   SING N N 110 
7AO C27   H54   SING N N 111 
7AO C9    H55   SING N N 112 
7AO C8    H56   SING N N 113 
7AO C7    H57   SING N N 114 
7AO O7    H58   SING N N 115 
7AO C25   H59   SING N N 116 
7AO C25   H60   SING N N 117 
7AO C25   H61   SING N N 118 
7AO C3    H62   SING N N 119 
7AO O3    H63   SING N N 120 
7AO C26   H64   SING N N 121 
7AO C26   H65   SING N N 122 
7AO C26   H66   SING N N 123 
# 
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 
7AO InChI            InChI                1.03  
;InChI=1S/C43H65N5O9/c1-10-11-14-27(4)40(57-43(55)46-20-13-19-45-41(53)33-15-12-16-34(23-33)47-48-44)31(8)38(51)29(6)22-25(2)21-28(5)37(50)26(3)17-18-35(49)24-36-30(7)39(52)32(9)42(54)56-36/h10-12,14-18,21,23,26-32,35-40,49-52H,1,13,19-20,22,24H2,2-9H3,(H,45,53)(H,46,55)/b14-11-,18-17-,25-21-/t26-,27-,28-,29-,30-,31-,32+,35+,36-,37-,38+,39-,40-/m0/s1
;
7AO InChIKey         InChI                1.03  XHLXKZHSJZBMGZ-FVXUXLCOSA-N 
7AO SMILES_CANONICAL CACTVS               3.385 "C[C@@H](C\C(C)=C/[C@H](C)[C@@H](O)[C@@H](C)\C=C/[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C)[C@@H](O)[C@H](C)[C@@H](OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])[C@@H](C)\C=C/C=C" 
7AO SMILES           CACTVS               3.385 "C[CH](CC(C)=C[CH](C)[CH](O)[CH](C)C=C[CH](O)C[CH]1OC(=O)[CH](C)[CH](O)[CH]1C)[CH](O)[CH](C)[CH](OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])[CH](C)C=CC=C" 
7AO SMILES_CANONICAL "OpenEye OEToolkits" 2.0.5 "C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])O)O)O" 
7AO SMILES           "OpenEye OEToolkits" 2.0.5 "CC1C(OC(=O)C(C1O)C)CC(C=CC(C)C(C(C)C=C(C)CC(C)C(C(C)C(C(C)C=CC=C)OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])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 
7AO "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.5 
;[(3~{Z},5~{S},6~{S},7~{S},8~{R},9~{S},11~{Z},13~{S},14~{S},15~{S},16~{Z},18~{S})-19-[(2~{S},3~{R},4~{S},5~{R})-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] ~{N}-[3-[(3-azidophenyl)carbonylamino]propyl]carbamate
;
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
7AO "Create component" 2016-09-23 EBI  
7AO "Initial release"  2017-09-20 RCSB 
# 
