data_A1MA6
# 
_chem_comp.id                                    A1MA6 
_chem_comp.name                                  palytoxin 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C129 H223 N3 O54" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-07-16 
_chem_comp.pdbx_modified_date                    2025-09-26 
_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                        2680.139 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1MA6 
_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        9VIY 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
_chem_comp.pdbx_pcm                              ? 
# 
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.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
A1MA6 O01  O1   O 0 1 N N N N N N 137.630 155.031 95.181  1.401   3.589   -1.961 O01  A1MA6 1   
A1MA6 C02  C1   C 0 1 N N N N N N 137.769 156.397 94.757  0.650   3.612   -3.176 C02  A1MA6 2   
A1MA6 C03  C2   C 0 1 N N N N N N 138.215 157.261 95.948  -0.672  4.346   -2.945 C03  A1MA6 3   
A1MA6 C04  C3   C 0 1 N N N N N N 138.654 158.656 95.445  -1.476  4.370   -4.247 C04  A1MA6 4   
A1MA6 N05  N1   N 0 1 N N N N N N 139.787 159.142 96.264  -2.743  5.072   -4.025 N05  A1MA6 5   
A1MA6 C06  C4   C 0 1 N N N N N N 140.345 160.360 96.077  -3.619  5.217   -5.039 C06  A1MA6 6   
A1MA6 C07  C5   C 0 1 N N N N N N 141.490 160.691 97.018  -4.844  5.897   -4.825 C07  A1MA6 7   
A1MA6 C08  C6   C 0 1 N N N N N N 142.043 161.884 96.836  -5.719  6.042   -5.837 C08  A1MA6 8   
A1MA6 N09  N2   N 0 1 N N N N N N 143.061 162.174 97.663  -6.907  6.700   -5.630 N09  A1MA6 9   
A1MA6 C10  C7   C 0 1 N N N N N N 143.655 163.367 97.500  -7.784  6.845   -6.643 C10  A1MA6 10  
A1MA6 C11  C8   C 0 1 N N S N N N 144.834 163.632 98.437  -9.086  7.568   -6.416 C11  A1MA6 11  
A1MA6 O12  O2   O 0 1 N N N N N N 146.052 163.609 97.693  -9.785  7.693   -7.656 O12  A1MA6 12  
A1MA6 C13  C9   C 0 1 N N R N N N 144.665 165.018 99.130  -9.943  6.775   -5.426 C13  A1MA6 13  
A1MA6 C14  C10  C 0 1 N N N N N N 145.924 165.846 98.922  -11.265 7.509   -5.195 C14  A1MA6 14  
A1MA6 C15  C11  C 0 1 N N R N N N 146.266 166.566 100.214 -12.068 6.784   -4.113 C15  A1MA6 15  
A1MA6 O16  O3   O 0 1 N N N N N N 146.890 165.657 101.112 -11.370 6.862   -2.869 O16  A1MA6 16  
A1MA6 C17  C12  C 0 1 N N N N N N 147.221 167.728 99.921  -13.421 7.433   -3.972 C17  A1MA6 17  
A1MA6 C18  C13  C 0 1 N N N N N N 146.663 168.939 99.947  -14.504 6.765   -4.283 C18  A1MA6 18  
A1MA6 C19  C14  C 0 1 N N R N N N 147.534 170.202 99.668  -15.858 7.406   -4.121 C19  A1MA6 19  
A1MA6 O20  O4   O 0 1 N N N N N N 148.610 169.855 98.780  -16.564 7.349   -5.362 O20  A1MA6 20  
A1MA6 C21  C15  C 0 1 N N S N N N 146.668 171.290 99.019  -16.652 6.657   -3.048 C21  A1MA6 21  
A1MA6 C22  C16  C 0 1 N N N N N N 147.553 172.211 98.155  -18.026 7.308   -2.884 C22  A1MA6 22  
A1MA6 C23  C17  C 0 1 N N R N N N 146.679 173.291 97.505  -18.865 6.486   -1.903 C23  A1MA6 23  
A1MA6 O24  O5   O 0 1 N N N N N N 147.090 174.614 97.969  -18.267 6.535   -0.606 O24  A1MA6 24  
A1MA6 C25  C18  C 0 1 N N S N N N 148.483 174.861 97.606  -18.132 7.854   -0.075 C25  A1MA6 25  
A1MA6 C26  C19  C 0 1 N N S N N N 148.887 176.242 98.094  -17.456 7.785   1.296  C26  A1MA6 26  
A1MA6 O27  O6   O 0 1 N N N N N N 147.763 176.879 98.705  -18.308 7.094   2.213  O27  A1MA6 27  
A1MA6 C28  C20  C 0 1 N N R N N N 150.008 176.114 99.110  -16.126 7.038   1.173  C28  A1MA6 28  
A1MA6 O29  O7   O 0 1 N N N N N N 150.543 177.404 99.386  -16.353 5.756   0.584  O29  A1MA6 29  
A1MA6 C30  C21  C 0 1 N N S N N N 151.100 175.220 98.542  -15.511 6.860   2.562  C30  A1MA6 30  
A1MA6 O31  O8   O 0 1 N N N N N N 152.272 175.995 98.293  -16.451 6.211   3.420  O31  A1MA6 31  
A1MA6 C32  C22  C 0 1 N N S N N N 151.424 174.108 99.538  -14.246 6.006   2.454  C32  A1MA6 32  
A1MA6 O33  O9   O 0 1 N N N N N N 150.205 173.521 100.009 -13.305 6.655   1.596  O33  A1MA6 33  
A1MA6 C34  C23  C 0 1 N N R N N N 152.268 173.041 98.846  -13.630 5.828   3.843  C34  A1MA6 34  
A1MA6 O35  O10  O 0 1 N N N N N N 152.839 173.585 97.661  -13.403 7.110   4.432  O35  A1MA6 35  
A1MA6 C36  C24  C 0 1 N N N N N N 151.388 171.848 98.483  -12.301 5.081   3.720  C36  A1MA6 36  
A1MA6 C37  C25  C 0 1 N N N N N N 151.903 171.201 97.199  -11.746 4.793   5.116  C37  A1MA6 37  
A1MA6 C38  C26  C 0 1 N N N N N N 151.251 169.833 97.024  -10.416 4.046   4.993  C38  A1MA6 38  
A1MA6 C39  C27  C 0 1 N N N N N N 152.287 168.834 96.516  -9.862  3.758   6.390  C39  A1MA6 39  
A1MA6 C40  C28  C 0 1 N N N N N N 151.906 167.430 96.984  -8.532  3.011   6.266  C40  A1MA6 40  
A1MA6 C41  C29  C 0 1 N N S N N N 152.888 166.411 96.409  -7.978  2.723   7.663  C41  A1MA6 41  
A1MA6 C42  C30  C 0 1 N N N N N N 152.645 165.045 97.060  -6.714  1.869   7.543  C42  A1MA6 42  
A1MA6 C43  C31  C 0 1 N N R N N N 153.743 164.761 98.085  -6.229  1.477   8.941  C43  A1MA6 43  
A1MA6 C44  C32  C 0 1 N N R N N N 153.075 164.329 99.369  -4.924  0.653   8.846  C44  A1MA6 44  
A1MA6 C45  C33  C 0 1 N N N N N N 151.880 163.420 99.069  -4.130  0.948   7.571  C45  A1MA6 45  
A1MA6 O46  O11  O 0 1 N N N N N N 152.637 165.549 99.911  -5.406  -0.712  8.903  O46  A1MA6 46  
A1MA6 C47  C34  C 0 1 N N S N N N 153.831 166.325 99.877  -6.483  -0.629  9.863  C47  A1MA6 47  
A1MA6 C48  C35  C 0 1 N N N N N N 154.822 165.793 100.890 -5.851  -0.524  11.260 C48  A1MA6 48  
A1MA6 C49  C36  C 0 1 N N S N N N 155.247 164.464 100.476 -5.057  0.784   11.346 C49  A1MA6 49  
A1MA6 C50  C37  C 0 1 N N N N N N 156.151 163.860 101.552 -4.251  0.807   12.646 C50  A1MA6 50  
A1MA6 C51  C38  C 0 1 N N N N N N 154.067 163.622 100.302 -4.118  0.904   10.131 C51  A1MA6 51  
A1MA6 C52  C39  C 0 1 N N N N N N 153.550 167.802 100.164 -7.416  -1.838  9.762  C52  A1MA6 52  
A1MA6 C53  C40  C 0 1 N N N N N N 154.651 168.666 99.545  -7.931  -1.966  8.327  C53  A1MA6 53  
A1MA6 C54  C41  C 0 1 N N N N N N 154.296 170.146 99.713  -8.957  -3.098  8.254  C54  A1MA6 54  
A1MA6 C55  C42  C 0 1 N N N N N N 155.221 170.778 100.756 -9.386  -3.304  6.799  C55  A1MA6 55  
A1MA6 C56  C43  C 0 1 N N N N N N 154.619 172.099 101.239 -10.300 -4.527  6.705  C56  A1MA6 56  
A1MA6 C57  C44  C 0 1 N N N N N N 155.736 173.126 101.444 -10.633 -4.804  5.238  C57  A1MA6 57  
A1MA6 C58  C45  C 0 1 N N N N N N 155.370 174.056 102.601 -11.512 -6.052  5.141  C58  A1MA6 58  
A1MA6 C59  C46  C 0 1 N N S N N N 155.267 175.495 102.088 -11.841 -6.331  3.672  C59  A1MA6 59  
A1MA6 C60  C47  C 0 1 N N N N N N 154.748 176.400 103.208 -12.684 -7.604  3.572  C60  A1MA6 60  
A1MA6 C61  C48  C 0 1 N N R N N N 153.320 176.839 102.886 -12.995 -7.895  2.102  C61  A1MA6 61  
A1MA6 O62  O12  O 0 1 N N N N N N 152.382 176.119 103.745 -11.784 -8.210  1.412  O62  A1MA6 62  
A1MA6 C63  C49  C 0 1 N N S N N N 151.013 176.508 103.414 -11.958 -8.475  0.019  C63  A1MA6 63  
A1MA6 O64  O13  O 0 1 N N N N N N 150.761 176.241 102.028 -12.543 -7.335  -0.613 O64  A1MA6 64  
A1MA6 C65  C50  C 0 1 N N N N N N 150.032 175.709 104.282 -10.599 -8.771  -0.618 C65  A1MA6 65  
A1MA6 C66  C51  C 0 1 N N S N N N 150.171 174.220 103.972 -9.627  -7.635  -0.296 C66  A1MA6 66  
A1MA6 C67  C52  C 0 1 N N S N N N 149.710 173.396 105.182 -8.234  -7.991  -0.821 C67  A1MA6 67  
A1MA6 C68  C53  C 0 1 N N N N N N 149.051 174.309 106.210 -7.299  -6.833  -0.589 C68  A1MA6 68  
A1MA6 C69  C54  C 0 1 N N N N N N 148.669 173.700 107.330 -6.028  -6.947  -0.889 C69  A1MA6 69  
A1MA6 C70  C55  C 0 1 N N S N N N 147.998 174.602 108.364 -5.116  -5.753  -0.771 C70  A1MA6 70  
A1MA6 C71  C56  C 0 1 N N N N N N 147.981 173.893 109.718 -3.798  -6.045  -1.491 C71  A1MA6 71  
A1MA6 C72  C57  C 0 1 N N N N N N 146.535 173.650 110.149 -2.890  -4.816  -1.411 C72  A1MA6 72  
A1MA6 C73  C58  C 0 1 N N R N N N 146.316 172.149 110.381 -1.642  -5.048  -2.265 C73  A1MA6 73  
A1MA6 C74  C59  C 0 1 N N R N N N 145.676 171.933 111.751 -0.719  -3.832  -2.159 C74  A1MA6 74  
A1MA6 C75  C60  C 0 1 N N S N N N 146.766 171.631 112.781 0.475   -4.016  -3.098 C75  A1MA6 75  
A1MA6 O76  O14  O 0 1 N N N N N N 147.078 172.849 113.583 0.007   -4.198  -4.435 O76  A1MA6 76  
A1MA6 C77  C61  C 0 1 N N R N N N 146.162 172.966 114.611 1.046   -4.406  -5.394 C77  A1MA6 77  
A1MA6 C78  C62  C 0 1 N N N N N N 146.247 174.345 115.262 1.860   -5.641  -5.005 C78  A1MA6 78  
A1MA6 C79  C63  C 0 1 N N R N N N 145.635 175.388 114.326 0.987   -6.890  -5.139 C79  A1MA6 79  
A1MA6 C80  C64  C 0 1 N N R N N N 145.557 176.733 115.045 1.774   -8.115  -4.668 C80  A1MA6 80  
A1MA6 C81  C65  C 0 1 N N N N N N 145.836 177.859 114.051 0.926   -9.373  -4.869 C81  A1MA6 81  
A1MA6 C82  C66  C 0 1 N N R N N N 146.133 179.148 114.812 1.689   -10.591 -4.343 C82  A1MA6 82  
A1MA6 C83  C67  C 0 1 N N S N N N 145.980 180.334 113.874 0.865   -11.857 -4.594 C83  A1MA6 83  
A1MA6 C84  C68  C 0 1 N N R N N N 146.270 181.596 114.623 1.607   -13.064 -4.011 C84  A1MA6 84  
A1MA6 C85  C69  C 0 1 N N R N N N 147.659 181.528 115.174 1.862   -12.821 -2.520 C85  A1MA6 85  
A1MA6 O86  O15  O 0 1 N N N N N N 147.935 182.719 115.925 2.617   -13.908 -1.982 O86  A1MA6 86  
A1MA6 O87  O16  O 0 1 N N N N N N 146.163 182.716 113.732 0.812   -14.239 -4.175 O87  A1MA6 87  
A1MA6 O88  O17  O 0 1 N N N N N N 144.638 180.375 113.368 0.686   -12.040 -6.000 O88  A1MA6 88  
A1MA6 O89  O18  O 0 1 N N N N N N 147.495 179.103 115.326 1.916   -10.442 -2.940 O89  A1MA6 89  
A1MA6 C90  C70  C 0 1 N N S N N N 147.780 180.313 116.084 2.647   -11.518 -2.349 C90  A1MA6 90  
A1MA6 C91  C71  C 0 1 N N N N N N 149.201 180.239 116.644 2.853   -11.238 -0.860 C91  A1MA6 91  
A1MA6 C92  C72  C 0 1 N N S N N N 149.486 178.814 117.133 3.739   -10.002 -0.691 C92  A1MA6 92  
A1MA6 C93  C73  C 0 1 N N N N N N 150.649 178.220 116.326 3.895   -9.692  0.776  C93  A1MA6 93  
A1MA6 C94  C74  C 0 1 N N N N N N 150.876 176.915 116.524 4.997   -9.094  1.215  C94  A1MA6 94  
A1MA6 C95  C75  C 0 1 N N N N N N 149.936 176.233 117.522 5.966   -8.542  0.255  C95  A1MA6 95  
A1MA6 C96  C76  C 0 1 N N N N N N 150.174 174.932 117.726 7.064   -7.936  0.694  C96  A1MA6 96  
A1MA6 C97  C77  C 0 1 N N N N N N 149.240 174.253 118.735 8.057   -7.372  -0.289 C97  A1MA6 97  
A1MA6 C98  C78  C 0 1 N N R N N N 148.621 173.010 118.105 8.293   -5.891  0.018  C98  A1MA6 98  
A1MA6 C99  C79  C 0 1 N N S N N N 148.706 171.840 119.094 9.205   -5.287  -1.052 C99  A1MA6 99  
A1MA6 CA0  C80  C 0 1 N N R N N N 148.447 170.527 118.356 9.465   -3.815  -0.729 CA0  A1MA6 100 
A1MA6 CA1  C81  C 0 1 N N N N N N 149.580 169.546 118.647 10.460  -3.239  -1.738 CA1  A1MA6 101 
A1MA6 CA2  C82  C 0 1 N N N N N N 150.278 169.176 117.340 10.759  -1.805  -1.387 CA2  A1MA6 102 
A1MA6 CA3  C83  C 0 1 N N N N N N 151.406 168.464 117.474 12.015  -1.415  -1.199 CA3  A1MA6 103 
A1MA6 CA4  C84  C 0 1 N N N N N N 151.809 168.135 118.923 13.118  -2.371  -1.384 CA4  A1MA6 104 
A1MA6 CA5  C85  C 0 1 N N N N N N 152.195 166.698 119.293 14.086  -2.631  -0.259 CA5  A1MA6 105 
A1MA6 CA6  C86  C 0 1 N N N N N N 151.005 165.761 119.038 15.212  -1.596  -0.304 CA6  A1MA6 106 
A1MA6 CA7  C87  C 0 1 N N S N N N 150.825 164.828 120.246 16.259  -1.935  0.758  CA7  A1MA6 107 
A1MA6 CA8  C88  C 0 1 N N R N N N 149.614 163.910 120.017 17.443  -0.974  0.632  CA8  A1MA6 108 
A1MA6 CA9  C89  C 0 1 N N R N N N 148.453 164.724 119.458 18.486  -1.306  1.701  CA9  A1MA6 109 
A1MA6 CAA  C90  C 0 1 N N R N N N 147.328 163.780 119.022 19.653  -0.323  1.597  CAA  A1MA6 110 
A1MA6 CAB  C91  C 0 1 N N N N N N 146.031 164.565 118.894 20.717  -0.683  2.636  CAB  A1MA6 111 
A1MA6 CAC  C92  C 0 1 N N R N N N 144.956 163.682 118.256 21.841  0.355   2.597  CAC  A1MA6 112 
A1MA6 OAD  O19  O 0 1 N N N N N N 144.206 162.976 119.302 21.316  1.639   2.940  OAD  A1MA6 113 
A1MA6 CAE  C93  C 0 1 N N R N N N 143.565 163.941 120.201 22.281  2.692   2.909  CAE  A1MA6 114 
A1MA6 CAF  C94  C 0 1 N N N N N N 142.769 163.190 121.286 22.877  2.786   1.528  CAF  A1MA6 115 
A1MA6 CAG  C95  C 0 1 N N N N N N 143.499 162.424 122.113 22.886  3.934   0.896  CAG  A1MA6 116 
A1MA6 CAH  C96  C 0 1 N N R N N N 145.006 162.407 121.836 22.471  5.192   1.612  CAH  A1MA6 117 
A1MA6 CAI  C97  C 0 1 N N R N N N 145.612 161.109 122.396 21.174  5.724   0.999  CAI  A1MA6 118 
A1MA6 CAJ  C98  C 0 1 N N N N N N 145.802 160.098 121.255 20.771  7.021   1.704  CAJ  A1MA6 119 
A1MA6 CAK  C99  C 0 1 N N R N N N 146.847 159.045 121.665 19.412  7.487   1.177  CAK  A1MA6 120 
A1MA6 CAL  C100 C 0 1 N N N N N N 148.003 159.116 120.784 19.067  8.844   1.796  CAL  A1MA6 121 
A1MA6 CAM  C101 C 0 1 N N R N N N 148.952 158.034 121.139 17.618  9.207   1.415  CAM  A1MA6 122 
A1MA6 CAN  C102 C 0 1 N N N N N N 148.346 156.739 120.918 16.719  8.113   2.055  CAN  A1MA6 123 
A1MA6 OAO  O20  O 0 1 N N N N N N 149.211 158.046 122.600 17.488  8.989   -0.004 OAO  A1MA6 124 
A1MA6 CAP  C103 C 0 1 N N R N N N 148.072 157.148 123.191 17.202  7.605   -0.247 CAP  A1MA6 125 
A1MA6 CAQ  C104 C 0 1 N N N N N N 148.730 155.903 123.795 15.882  7.472   -1.009 CAQ  A1MA6 126 
A1MA6 CAR  C105 C 0 1 N N N N N N 150.191 156.213 124.139 16.039  8.068   -2.410 CAR  A1MA6 127 
A1MA6 CAS  C106 C 0 1 N N R N N N 150.529 155.622 125.509 14.719  7.935   -3.172 CAS  A1MA6 128 
A1MA6 CAT  C107 C 0 1 N N R N N N 152.100 155.644 125.676 14.901  8.427   -4.624 CAT  A1MA6 129 
A1MA6 OAU  O21  O 0 1 N N N N N N 152.666 155.984 124.407 16.011  9.321   -4.722 OAU  A1MA6 130 
A1MA6 CAV  C108 C 0 1 N N N N N N 152.386 154.220 125.936 13.565  9.174   -4.888 CAV  A1MA6 131 
A1MA6 CAW  C109 C 0 1 N N S N N N 151.414 153.576 125.062 13.273  9.760   -3.484 CAW  A1MA6 132 
A1MA6 CAX  C110 C 0 1 N N N N N N 151.395 152.073 125.341 11.773  10.010  -3.314 CAX  A1MA6 133 
A1MA6 NAY  N3   N 0 1 N N N N N N 150.636 151.355 124.310 11.523  10.613  -1.998 NAY  A1MA6 134 
A1MA6 OAZ  O22  O 0 1 N N N N N N 150.217 154.154 125.525 13.719  8.756   -2.558 OAZ  A1MA6 135 
A1MA6 CB0  C111 C 0 1 N N S N N N 147.295 156.721 121.942 17.085  6.914   1.133  CB0  A1MA6 136 
A1MA6 OB1  O23  O 0 1 N N N N N N 146.274 157.750 121.620 18.416  6.519   1.517  OB1  A1MA6 137 
A1MA6 OB2  O24  O 0 1 N N N N N N 146.878 161.393 122.995 21.375  5.981   -0.392 OB2  A1MA6 138 
A1MA6 OB3  O25  O 0 1 N N N N N N 145.620 163.531 122.471 23.499  6.177   1.481  OB3  A1MA6 139 
A1MA6 CB4  C112 C 0 1 N N S N N N 142.613 164.836 119.405 23.389  2.397   3.924  CB4  A1MA6 140 
A1MA6 OB5  O26  O 0 1 N N N N N N 142.012 165.799 120.283 22.833  2.360   5.240  OB5  A1MA6 141 
A1MA6 CB6  C113 C 0 1 N N R N N N 143.375 165.548 118.334 24.022  1.041   3.598  CB6  A1MA6 142 
A1MA6 OB7  O27  O 0 1 N N N N N N 142.475 166.362 117.567 24.636  1.099   2.309  OB7  A1MA6 143 
A1MA6 CB8  C114 C 0 1 N N R N N N 144.015 164.541 117.443 22.931  -0.034  3.599  CB8  A1MA6 144 
A1MA6 OB9  O28  O 0 1 N N N N N N 144.760 165.214 116.413 22.362  -0.135  4.907  OB9  A1MA6 145 
A1MA6 CBA  C115 C 0 1 N N N N N N 147.681 163.154 117.676 20.262  -0.400  0.196  CBA  A1MA6 146 
A1MA6 OBB  O29  O 0 1 N N N N N N 147.968 165.617 120.462 17.890  -1.202  2.996  OBB  A1MA6 147 
A1MA6 OBC  O30  O 0 1 N N N N N N 149.227 163.313 121.254 16.988  0.369   0.811  OBC  A1MA6 148 
A1MA6 OBD  O31  O 0 1 N N N N N N 152.001 164.034 120.416 15.678  -1.806  2.058  OBD  A1MA6 149 
A1MA6 CBE  C116 C 0 1 N N N N N N 152.058 169.126 119.783 13.261  -3.005  -2.543 CBE  A1MA6 150 
A1MA6 OBF  O32  O 0 1 N N N N N N 147.210 169.968 118.796 8.238   -3.087  -0.801 OBF  A1MA6 151 
A1MA6 OBG  O33  O 0 1 N N N N N N 150.011 171.808 119.684 10.445  -5.997  -1.077 OBG  A1MA6 152 
A1MA6 OBH  O34  O 0 1 N N N N N N 149.329 172.676 116.908 8.913   -5.763  1.299  OBH  A1MA6 153 
A1MA6 OBI  O35  O 0 1 N N N N N N 149.836 178.847 118.521 5.023   -10.254 -1.264 OBI  A1MA6 154 
A1MA6 OBJ  O36  O 0 1 N N N N N N 144.251 176.900 115.602 2.980   -8.227  -5.427 OBJ  A1MA6 155 
A1MA6 OBK  O37  O 0 1 N N N N N N 144.322 174.974 113.944 0.610   -7.063  -6.506 OBK  A1MA6 156 
A1MA6 CBL  C117 C 0 1 N N N N N N 146.257 170.501 113.719 1.369   -2.774  -3.036 CBL  A1MA6 157 
A1MA6 CBM  C118 C 0 1 N N R N N N 146.934 170.610 114.980 2.529   -2.940  -4.022 CBM  A1MA6 158 
A1MA6 OBN  O38  O 0 1 N N N N N N 148.349 170.693 114.759 3.331   -4.057  -3.633 OBN  A1MA6 159 
A1MA6 CBO  C119 C 0 1 N N S N N N 146.451 171.879 115.676 1.962   -3.179  -5.425 CBO  A1MA6 160 
A1MA6 OBP  O39  O 0 1 N N N N N N 145.252 171.598 116.411 1.214   -2.035  -5.840 OBP  A1MA6 161 
A1MA6 OBQ  O40  O 0 1 N N N N N N 144.764 170.835 111.684 -0.253  -3.703  -0.815 OBQ  A1MA6 162 
A1MA6 OBR  O41  O 0 1 N N N N N N 147.575 171.468 110.329 -2.027  -5.236  -3.628 OBR  A1MA6 163 
A1MA6 OBS  O42  O 0 1 N N N N N N 146.658 174.884 107.955 -4.857  -5.485  0.608  OBS  A1MA6 164 
A1MA6 CBT  C120 C 0 1 N N N N N N 150.910 172.702 105.813 -8.315  -8.289  -2.320 CBT  A1MA6 165 
A1MA6 OBU  O43  O 0 1 N N N N N N 149.373 173.892 102.833 -10.078 -6.431  -0.920 OBU  A1MA6 166 
A1MA6 CBV  C121 C 0 1 N N R N N N 153.184 178.338 103.125 -13.958 -9.082  2.009  CBV  A1MA6 167 
A1MA6 OBW  O44  O 0 1 N N N N N N 153.485 178.635 104.499 -13.378 -10.218 2.653  OBW  A1MA6 168 
A1MA6 CBX  C122 C 0 1 N N R N N N 151.779 178.765 102.817 -14.217 -9.405  0.535  CBX  A1MA6 169 
A1MA6 OBY  O45  O 0 1 N N N N N N 151.492 178.504 101.439 -14.856 -8.292  -0.094 OBY  A1MA6 170 
A1MA6 CBZ  C123 C 0 1 N N R N N N 150.831 177.989 103.679 -12.879 -9.685  -0.158 CBZ  A1MA6 171 
A1MA6 OC0  O46  O 0 1 N N N N N N 149.485 178.369 103.371 -13.102 -9.917  -1.550 OC0  A1MA6 172 
A1MA6 OC1  O47  O 0 1 N N N N N N 156.558 175.945 101.672 -12.574 -5.230  3.131  OC1  A1MA6 173 
A1MA6 OC2  O48  O 0 1 N N N N N N 154.360 166.114 98.495  -7.178  0.597   9.570  OC2  A1MA6 174 
A1MA6 CC3  C124 C 0 1 N N N N N N 152.689 166.304 94.900  -7.637  4.043   8.358  CC3  A1MA6 175 
A1MA6 CC4  C125 C 0 1 N N S N N N 148.638 174.793 96.094  -19.517 8.489   0.070  CC4  A1MA6 176 
A1MA6 OC5  O49  O 0 1 N N N N N N 150.010 175.024 95.739  -19.381 9.828   0.548  OC5  A1MA6 177 
A1MA6 CC6  C126 C 0 1 N N R N N N 148.221 173.445 95.616  -20.211 8.499   -1.296 CC6  A1MA6 178 
A1MA6 CC7  C127 C 0 1 N N R N N N 146.806 173.211 96.003  -20.281 7.066   -1.832 CC7  A1MA6 179 
A1MA6 OC8  O50  O 0 1 N N N N N N 146.395 171.920 95.561  -20.860 7.072   -3.138 OC8  A1MA6 180 
A1MA6 OC9  O51  O 0 1 N N N N N N 148.342 173.381 94.186  -21.533 9.023   -1.157 OC9  A1MA6 181 
A1MA6 OCA  O52  O 0 1 N N N N N N 146.031 172.068 100.045 -15.946 6.714   -1.807 OCA  A1MA6 182 
A1MA6 CCB  C128 C 0 1 N N N N N N 145.184 169.093 100.342 -14.395 5.355   -4.804 CCB  A1MA6 183 
A1MA6 CCC  C129 C 0 1 N N N N N N 143.465 165.759 98.531  -10.224 5.384   -5.995 CCC  A1MA6 184 
A1MA6 OCD  O53  O 0 1 N N N N N N 143.338 164.176 96.639  -7.524  6.394   -7.739 OCD  A1MA6 185 
A1MA6 OCE  O54  O 0 1 N N N N N N 139.905 161.206 95.293  -3.358  4.765   -6.139 OCE  A1MA6 186 
A1MA6 H1   H1   H 0 1 N N N N N N 137.354 154.497 94.445  2.254   3.139   -2.033 H1   A1MA6 187 
A1MA6 H2   H2   H 0 1 N N N N N N 138.522 156.458 93.958  1.223   4.129   -3.947 H2   A1MA6 188 
A1MA6 H3   H3   H 0 1 N N N N N N 136.803 156.764 94.379  0.448   2.590   -3.497 H3   A1MA6 189 
A1MA6 H4   H4   H 0 1 N N N N N N 137.377 157.373 96.652  -1.244  3.829   -2.174 H4   A1MA6 190 
A1MA6 H5   H5   H 0 1 N N N N N N 139.059 156.774 96.457  -0.470  5.367   -2.624 H5   A1MA6 191 
A1MA6 H6   H6   H 0 1 N N N N N N 138.966 158.585 94.393  -0.904  4.886   -5.017 H6   A1MA6 192 
A1MA6 H7   H7   H 0 1 N N N N N N 137.812 159.358 95.531  -1.679  3.348   -4.568 H7   A1MA6 193 
A1MA6 H8   H8   H 0 1 N N N N N N 140.153 158.549 96.981  -2.950  5.433   -3.149 H8   A1MA6 194 
A1MA6 H9   H9   H 0 1 N N N N N N 141.830 160.005 97.780  -5.076  6.298   -3.849 H9   A1MA6 195 
A1MA6 H10  H10  H 0 1 N N N N N N 141.699 162.572 96.078  -5.488  5.640   -6.813 H10  A1MA6 196 
A1MA6 H11  H11  H 0 1 N N N N N N 143.362 161.531 98.367  -7.115  7.061   -4.754 H11  A1MA6 197 
A1MA6 H12  H12  H 0 1 N N N N N N 144.850 162.854 99.215  -8.886  8.559   -6.010 H12  A1MA6 198 
A1MA6 H13  H13  H 0 1 N N N N N N 145.871 163.807 96.782  -9.997  6.847   -8.075 H13  A1MA6 199 
A1MA6 H14  H14  H 0 1 N N N N N N 144.499 164.864 100.206 -9.410  6.680   -4.480 H14  A1MA6 200 
A1MA6 H15  H15  H 0 1 N N N N N N 146.756 165.185 98.637  -11.063 8.531   -4.874 H15  A1MA6 201 
A1MA6 H16  H16  H 0 1 N N N N N N 145.752 166.583 98.124  -11.838 7.526   -6.122 H16  A1MA6 202 
A1MA6 H17  H17  H 0 1 N N N N N N 145.342 166.968 100.656 -12.194 5.738   -4.394 H17  A1MA6 203 
A1MA6 H18  H18  H 0 1 N N N N N N 147.104 166.107 101.921 -11.222 7.766   -2.557 H18  A1MA6 204 
A1MA6 H19  H19  H 0 1 N N N N N N 148.269 167.577 99.709  -13.498 8.449   -3.614 H19  A1MA6 205 
A1MA6 H20  H20  H 0 1 N N N N N N 147.929 170.578 100.623 -15.734 8.446   -3.821 H20  A1MA6 206 
A1MA6 H21  H21  H 0 1 N N N N N N 149.147 169.181 99.181  -16.711 6.452   -5.690 H21  A1MA6 207 
A1MA6 H22  H22  H 0 1 N N N N N N 145.914 170.813 98.376  -16.776 5.616   -3.349 H22  A1MA6 208 
A1MA6 H23  H23  H 0 1 N N N N N N 148.046 171.617 97.372  -17.905 8.320   -2.498 H23  A1MA6 209 
A1MA6 H24  H24  H 0 1 N N N N N N 148.315 172.688 98.789  -18.529 7.345   -3.850 H24  A1MA6 210 
A1MA6 H25  H25  H 0 1 N N N N N N 145.631 173.111 97.785  -18.913 5.452   -2.243 H25  A1MA6 211 
A1MA6 H26  H26  H 0 1 N N N N N N 149.134 174.107 98.072  -17.524 8.457   -0.749 H26  A1MA6 212 
A1MA6 H27  H27  H 0 1 N N N N N N 149.243 176.835 97.239  -17.273 8.795   1.662  H27  A1MA6 213 
A1MA6 H28  H28  H 0 1 N N N N N N 148.015 177.743 99.010  -18.513 6.186   1.950  H28  A1MA6 214 
A1MA6 H29  H29  H 0 1 N N N N N N 149.611 175.658 100.029 -15.445 7.611   0.544  H29  A1MA6 215 
A1MA6 H30  H30  H 0 1 N N N N N N 151.245 177.327 100.022 -16.952 5.191   1.092  H30  A1MA6 216 
A1MA6 H31  H31  H 0 1 N N N N N N 150.739 174.766 97.608  -15.256 7.836   2.975  H31  A1MA6 217 
A1MA6 H32  H32  H 0 1 N N N N N N 152.953 175.435 97.938  -16.724 5.335   3.115  H32  A1MA6 218 
A1MA6 H33  H33  H 0 1 N N N N N N 151.996 174.531 100.377 -14.501 5.030   2.041  H33  A1MA6 219 
A1MA6 H34  H34  H 0 1 N N N N N N 150.405 172.829 100.629 -13.033 7.531   1.902  H34  A1MA6 220 
A1MA6 H35  H35  H 0 1 N N N N N N 153.058 172.707 99.535  -14.312 5.255   4.472  H35  A1MA6 221 
A1MA6 H36  H36  H 0 1 N N N N N N 153.387 174.328 97.885  -12.805 7.675   3.925  H36  A1MA6 222 
A1MA6 H37  H37  H 0 1 N N N N N N 150.353 172.189 98.331  -12.460 4.141   3.191  H37  A1MA6 223 
A1MA6 H38  H38  H 0 1 N N N N N N 151.415 171.112 99.300  -11.590 5.694   3.166  H38  A1MA6 224 
A1MA6 H39  H39  H 0 1 N N N N N N 152.995 171.082 97.260  -11.587 5.733   5.645  H39  A1MA6 225 
A1MA6 H40  H40  H 0 1 N N N N N N 151.652 171.840 96.340  -12.457 4.180   5.670  H40  A1MA6 226 
A1MA6 H41  H41  H 0 1 N N N N N N 150.429 169.909 96.297  -10.575 3.106   4.464  H41  A1MA6 227 
A1MA6 H42  H42  H 0 1 N N N N N N 150.855 169.490 97.991  -9.705  4.659   4.439  H42  A1MA6 228 
A1MA6 H43  H43  H 0 1 N N N N N N 153.278 169.098 96.914  -9.703  4.698   6.918  H43  A1MA6 229 
A1MA6 H44  H44  H 0 1 N N N N N N 152.315 168.860 95.417  -10.573 3.145   6.944  H44  A1MA6 230 
A1MA6 H45  H45  H 0 1 N N N N N N 150.889 167.193 96.638  -8.691  2.072   5.737  H45  A1MA6 231 
A1MA6 H46  H46  H 0 1 N N N N N N 151.939 167.389 98.083  -7.821  3.624   5.712  H46  A1MA6 232 
A1MA6 H47  H47  H 0 1 N N N N N N 153.917 166.737 96.620  -8.725  2.187   8.247  H47  A1MA6 233 
A1MA6 H48  H48  H 0 1 N N N N N N 151.667 165.048 97.563  -6.936  0.969   6.970  H48  A1MA6 234 
A1MA6 H49  H49  H 0 1 N N N N N N 152.656 164.264 96.286  -5.936  2.440   7.036  H49  A1MA6 235 
A1MA6 H50  H50  H 0 1 N N N N N N 154.494 164.043 97.723  -6.075  2.366   9.551  H50  A1MA6 236 
A1MA6 H51  H51  H 0 1 N N N N N N 151.405 163.114 100.013 -3.942  2.019   7.500  H51  A1MA6 237 
A1MA6 H52  H52  H 0 1 N N N N N N 151.151 163.965 98.451  -3.181  0.413   7.602  H52  A1MA6 238 
A1MA6 H53  H53  H 0 1 N N N N N N 152.225 162.527 98.527  -4.703  0.621   6.703  H53  A1MA6 239 
A1MA6 H54  H54  H 0 1 N N N N N N 155.694 166.461 100.940 -6.635  -0.526  12.016 H54  A1MA6 240 
A1MA6 H55  H55  H 0 1 N N N N N N 154.345 165.737 101.880 -5.184  -1.370  11.423 H55  A1MA6 241 
A1MA6 H56  H56  H 0 1 N N N N N N 155.807 164.525 99.531  -5.745  1.629   11.330 H56  A1MA6 242 
A1MA6 H57  H57  H 0 1 N N N N N N 157.040 164.494 101.683 -3.562  -0.038  12.662 H57  A1MA6 243 
A1MA6 H58  H58  H 0 1 N N N N N N 155.600 163.800 102.502 -3.686  1.737   12.708 H58  A1MA6 244 
A1MA6 H59  H59  H 0 1 N N N N N N 156.463 162.851 101.245 -4.930  0.737   13.496 H59  A1MA6 245 
A1MA6 H60  H60  H 0 1 N N N N N N 153.593 163.447 101.279 -3.337  0.149   10.227 H60  A1MA6 246 
A1MA6 H61  H61  H 0 1 N N N N N N 154.364 162.659 99.861  -3.669  1.897   10.094 H61  A1MA6 247 
A1MA6 H62  H62  H 0 1 N N N N N N 153.525 167.965 101.252 -6.870  -2.741  10.035 H62  A1MA6 248 
A1MA6 H63  H63  H 0 1 N N N N N N 152.579 168.081 99.729  -8.258  -1.704  10.440 H63  A1MA6 249 
A1MA6 H64  H64  H 0 1 N N N N N N 154.743 168.431 98.474  -8.400  -1.030  8.025  H64  A1MA6 250 
A1MA6 H65  H65  H 0 1 N N N N N N 155.606 168.459 100.049 -7.097  -2.188  7.661  H65  A1MA6 251 
A1MA6 H66  H66  H 0 1 N N N N N N 154.420 170.664 98.751  -8.512  -4.018  8.635  H66  A1MA6 252 
A1MA6 H67  H67  H 0 1 N N N N N N 153.252 170.237 100.046 -9.828  -2.839  8.856  H67  A1MA6 253 
A1MA6 H68  H68  H 0 1 N N N N N N 155.334 170.093 101.609 -9.922  -2.422  6.450  H68  A1MA6 254 
A1MA6 H69  H69  H 0 1 N N N N N N 156.206 170.967 100.305 -8.503  -3.462  6.179  H69  A1MA6 255 
A1MA6 H70  H70  H 0 1 N N N N N N 153.909 172.475 100.487 -9.794  -5.393  7.132  H70  A1MA6 256 
A1MA6 H71  H71  H 0 1 N N N N N N 154.093 171.935 102.191 -11.221 -4.336  7.257  H71  A1MA6 257 
A1MA6 H72  H72  H 0 1 N N N N N N 156.676 172.604 101.677 -11.167 -3.950  4.819  H72  A1MA6 258 
A1MA6 H73  H73  H 0 1 N N N N N N 155.863 173.717 100.525 -9.711  -4.964  4.680  H73  A1MA6 259 
A1MA6 H74  H74  H 0 1 N N N N N N 154.403 173.749 103.026 -10.980 -6.905  5.562  H74  A1MA6 260 
A1MA6 H75  H75  H 0 1 N N N N N N 156.147 173.998 103.377 -12.436 -5.890  5.695  H75  A1MA6 261 
A1MA6 H76  H76  H 0 1 N N N N N N 154.560 175.525 101.246 -10.916 -6.463  3.112  H76  A1MA6 262 
A1MA6 H77  H77  H 0 1 N N N N N N 154.756 175.848 104.159 -12.131 -8.441  3.999  H77  A1MA6 263 
A1MA6 H78  H78  H 0 1 N N N N N N 155.394 177.286 103.293 -13.616 -7.467  4.120  H78  A1MA6 264 
A1MA6 H79  H79  H 0 1 N N N N N N 153.106 176.621 101.829 -13.455 -7.017  1.647  H79  A1MA6 265 
A1MA6 H80  H80  H 0 1 N N N N N N 150.874 175.313 101.858 -12.012 -6.530  -0.541 H80  A1MA6 266 
A1MA6 H81  H81  H 0 1 N N N N N N 150.256 175.884 105.344 -10.208 -9.708  -0.220 H81  A1MA6 267 
A1MA6 H82  H82  H 0 1 N N N N N N 149.003 176.034 104.066 -10.715 -8.856  -1.699 H82  A1MA6 268 
A1MA6 H83  H83  H 0 1 N N N N N N 151.229 173.995 103.773 -9.582  -7.490  0.783  H83  A1MA6 269 
A1MA6 H84  H84  H 0 1 N N N N N N 148.985 172.639 104.849 -7.862  -8.870  -0.295 H84  A1MA6 270 
A1MA6 H85  H85  H 0 1 N N N N N N 148.906 175.366 106.043 -7.675  -5.909  -0.176 H85  A1MA6 271 
A1MA6 H87  H87  H 0 1 N N N N N N 148.822 172.644 107.496 -5.635  -7.896  -1.220 H87  A1MA6 272 
A1MA6 H89  H89  H 0 1 N N N N N N 148.575 175.534 108.455 -5.594  -4.885  -1.226 H89  A1MA6 273 
A1MA6 H90  H90  H 0 1 N N N N N N 148.505 172.930 109.634 -3.305  -6.893  -1.016 H90  A1MA6 274 
A1MA6 H91  H91  H 0 1 N N N N N N 148.486 174.521 110.467 -4.000  -6.280  -2.536 H91  A1MA6 275 
A1MA6 H92  H92  H 0 1 N N N N N N 146.333 174.198 111.081 -3.427  -3.943  -1.781 H92  A1MA6 276 
A1MA6 H93  H93  H 0 1 N N N N N N 145.853 174.003 109.361 -2.595  -4.649  -0.375 H93  A1MA6 277 
A1MA6 H94  H94  H 0 1 N N N N N N 145.640 171.763 109.604 -1.118  -5.934  -1.909 H94  A1MA6 278 
A1MA6 H95  H95  H 0 1 N N N N N N 145.148 172.851 112.048 -1.268  -2.934  -2.441 H95  A1MA6 279 
A1MA6 H96  H96  H 0 1 N N N N N N 147.671 171.284 112.261 1.048   -4.891  -2.790 H96  A1MA6 280 
A1MA6 H97  H97  H 0 1 N N N N N N 145.139 172.818 114.236 0.607   -4.556  -6.380 H97  A1MA6 281 
A1MA6 H98  H98  H 0 1 N N N N N N 147.301 174.596 115.452 2.724   -5.729  -5.664 H98  A1MA6 282 
A1MA6 H99  H99  H 0 1 N N N N N N 145.694 174.336 116.213 2.199   -5.543  -3.973 H99  A1MA6 283 
A1MA6 H100 H100 H 0 0 N N N N N N 146.277 175.493 113.439 0.093   -6.776  -4.527 H100 A1MA6 284 
A1MA6 H101 H101 H 0 0 N N N N N N 146.318 176.759 115.839 2.018   -8.006  -3.612 H101 A1MA6 285 
A1MA6 H102 H102 H 0 0 N N N N N N 144.956 178.007 113.408 -0.012  -9.270  -4.325 H102 A1MA6 286 
A1MA6 H103 H103 H 0 0 N N N N N N 146.703 177.592 113.429 0.718   -9.506  -5.931 H103 A1MA6 287 
A1MA6 H104 H104 H 0 0 N N N N N N 145.419 179.249 115.643 2.646   -10.672 -4.859 H104 A1MA6 288 
A1MA6 H105 H105 H 0 0 N N N N N N 146.695 180.230 113.045 -0.108  -11.760 -4.111 H105 A1MA6 289 
A1MA6 H106 H106 H 0 0 N N N N N N 145.554 181.700 115.452 2.559   -13.191 -4.528 H106 A1MA6 290 
A1MA6 H107 H107 H 0 0 N N N N N N 148.375 181.427 114.345 0.909   -12.745 -1.996 H107 A1MA6 291 
A1MA6 H108 H108 H 0 0 N N N N N N 148.817 182.676 116.275 2.181   -14.768 -2.060 H108 A1MA6 292 
A1MA6 H109 H109 H 0 0 N N N N N N 146.347 183.518 114.207 1.221   -15.043 -3.828 H109 A1MA6 293 
A1MA6 H110 H110 H 0 0 N N N N N N 144.454 179.574 112.892 0.176   -12.827 -6.232 H110 A1MA6 294 
A1MA6 H111 H111 H 0 0 N N N N N N 147.069 180.413 116.918 3.616   -11.611 -2.840 H111 A1MA6 295 
A1MA6 H112 H112 H 0 0 N N N N N N 149.920 180.506 115.856 1.888   -11.061 -0.386 H112 A1MA6 296 
A1MA6 H113 H113 H 0 0 N N N N N N 149.301 180.942 117.485 3.335   -12.097 -0.392 H113 A1MA6 297 
A1MA6 H114 H114 H 0 0 N N N N N N 148.590 178.196 116.978 3.277   -9.153  -1.194 H114 A1MA6 298 
A1MA6 H115 H115 H 0 0 N N N N N N 151.243 178.813 115.646 3.111   -9.957  1.470  H115 A1MA6 299 
A1MA6 H116 H116 H 0 0 N N N N N N 151.666 176.382 116.016 5.181   -9.011  2.276  H116 A1MA6 300 
A1MA6 H117 H117 H 0 0 N N N N N N 149.140 176.763 118.024 5.786   -8.630  -0.806 H117 A1MA6 301 
A1MA6 H118 H118 H 0 0 N N N N N N 150.965 174.400 117.218 7.245   -7.848  1.755  H118 A1MA6 302 
A1MA6 H119 H119 H 0 0 N N N N N N 149.814 173.964 119.628 8.999   -7.914  -0.206 H119 A1MA6 303 
A1MA6 H120 H120 H 0 0 N N N N N N 148.442 174.953 119.023 7.666   -7.475  -1.301 H120 A1MA6 304 
A1MA6 H121 H121 H 0 0 N N N N N N 147.563 173.211 117.880 7.339   -5.364  0.022  H121 A1MA6 305 
A1MA6 H122 H122 H 0 0 N N N N N N 147.938 171.972 119.871 8.722   -5.366  -2.026 H122 A1MA6 306 
A1MA6 H123 H123 H 0 0 N N N N N N 148.414 170.725 117.275 9.879   -3.732  0.276  H123 A1MA6 307 
A1MA6 H124 H124 H 0 0 N N N N N N 149.169 168.638 119.113 11.383  -3.820  -1.711 H124 A1MA6 308 
A1MA6 H125 H125 H 0 0 N N N N N N 150.304 170.014 119.330 10.031  -3.286  -2.739 H125 A1MA6 309 
A1MA6 H126 H126 H 0 0 N N N N N N 149.890 169.468 116.375 9.952   -1.094  -1.289 H126 A1MA6 310 
A1MA6 H127 H127 H 0 0 N N N N N N 151.991 168.144 116.625 12.227  -0.396  -0.910 H127 A1MA6 311 
A1MA6 H128 H128 H 0 0 N N N N N N 153.050 166.379 118.679 13.563  -2.557  0.695  H128 A1MA6 312 
A1MA6 H129 H129 H 0 0 N N N N N N 152.472 166.656 120.357 14.507  -3.631  -0.366 H129 A1MA6 313 
A1MA6 H130 H130 H 0 0 N N N N N N 150.092 166.357 118.895 15.677  -1.609  -1.290 H130 A1MA6 314 
A1MA6 H131 H131 H 0 0 N N N N N N 151.196 165.161 118.136 14.803  -0.605  -0.109 H131 A1MA6 315 
A1MA6 H132 H132 H 0 0 N N N N N N 150.643 165.439 121.143 16.605  -2.958  0.615  H132 A1MA6 316 
A1MA6 H133 H133 H 0 0 N N N N N N 149.890 163.134 119.288 17.891  -1.077  -0.356 H133 A1MA6 317 
A1MA6 H134 H134 H 0 0 N N N N N N 148.802 165.289 118.581 18.851  -2.321  1.549  H134 A1MA6 318 
A1MA6 H135 H135 H 0 0 N N N N N N 147.205 162.987 119.774 19.294  0.690   1.782  H135 A1MA6 319 
A1MA6 H136 H136 H 0 0 N N N N N N 146.200 165.450 118.263 20.267  -0.693  3.629  H136 A1MA6 320 
A1MA6 H137 H137 H 0 0 N N N N N N 145.697 164.885 119.892 21.125  -1.668  2.412  H137 A1MA6 321 
A1MA6 H138 H138 H 0 0 N N N N N N 145.443 162.953 117.592 22.266  0.393   1.594  H138 A1MA6 322 
A1MA6 H139 H139 H 0 0 N N N N N N 144.328 164.568 120.686 21.798  3.636   3.162  H139 A1MA6 323 
A1MA6 H140 H140 H 0 0 N N N N N N 141.696 163.274 121.375 23.297  1.908   1.060  H140 A1MA6 324 
A1MA6 H141 H141 H 0 0 N N N N N N 143.054 161.858 122.918 23.191  3.977   -0.139 H141 A1MA6 325 
A1MA6 H142 H142 H 0 0 N N N N N N 145.172 162.440 120.749 22.311  4.973   2.668  H142 A1MA6 326 
A1MA6 H143 H143 H 0 0 N N N N N N 144.922 160.684 123.139 20.384  4.983   1.122  H143 A1MA6 327 
A1MA6 H144 H144 H 0 0 N N N N N N 146.148 160.625 120.353 20.703  6.845   2.778  H144 A1MA6 328 
A1MA6 H145 H145 H 0 0 N N N N N N 144.844 159.600 121.044 21.519  7.789   1.509  H145 A1MA6 329 
A1MA6 H146 H146 H 0 0 N N N N N N 147.167 159.269 122.693 19.462  7.588   0.093  H146 A1MA6 330 
A1MA6 H147 H147 H 0 0 N N N N N N 148.497 160.092 120.902 19.156  8.783   2.881  H147 A1MA6 331 
A1MA6 H148 H148 H 0 0 N N N N N N 147.678 158.993 119.740 19.748  9.604   1.414  H148 A1MA6 332 
A1MA6 H149 H149 H 0 0 N N N N N N 149.891 158.138 120.576 17.347  10.220  1.712  H149 A1MA6 333 
A1MA6 H150 H150 H 0 0 N N N N N N 147.921 156.663 119.906 17.001  7.921   3.090  H150 A1MA6 334 
A1MA6 H151 H151 H 0 0 N N N N N N 149.070 155.926 121.073 15.663  8.370   1.974  H151 A1MA6 335 
A1MA6 H152 H152 H 0 0 N N N N N N 147.447 157.692 123.915 18.010  7.155   -0.823 H152 A1MA6 336 
A1MA6 H153 H153 H 0 0 N N N N N N 148.192 155.611 124.709 15.613  6.419   -1.090 H153 A1MA6 337 
A1MA6 H154 H154 H 0 0 N N N N N N 148.692 155.079 123.068 15.097  8.007   -0.473 H154 A1MA6 338 
A1MA6 H155 H155 H 0 0 N N N N N N 150.849 155.771 123.376 16.308  9.121   -2.329 H155 A1MA6 339 
A1MA6 H156 H156 H 0 0 N N N N N N 150.339 157.303 124.163 16.823  7.533   -2.945 H156 A1MA6 340 
A1MA6 H157 H157 H 0 0 N N N N N N 150.033 156.166 126.326 14.395  6.894   -3.171 H157 A1MA6 341 
A1MA6 H158 H158 H 0 0 N N N N N N 152.411 156.306 126.497 15.017  7.586   -5.307 H158 A1MA6 342 
A1MA6 H159 H159 H 0 0 N N N N N N 153.613 156.005 124.478 16.167  9.658   -5.615 H159 A1MA6 343 
A1MA6 H160 H160 H 0 0 N N N N N N 152.215 153.960 126.991 13.697  9.966   -5.625 H160 A1MA6 344 
A1MA6 H161 H161 H 0 0 N N N N N N 153.417 153.958 125.656 12.782  8.481   -5.196 H161 A1MA6 345 
A1MA6 H162 H162 H 0 0 N N N N N N 151.609 153.781 123.999 13.829  10.685  -3.335 H162 A1MA6 346 
A1MA6 H163 H163 H 0 0 N N N N N N 150.928 151.895 126.321 11.427  10.686  -4.095 H163 A1MA6 347 
A1MA6 H164 H164 H 0 0 N N N N N N 152.429 151.697 125.354 11.236  9.064   -3.388 H164 A1MA6 348 
A1MA6 H165 H165 H 0 0 N N N N N N 150.638 150.376 124.515 10.539  10.787  -1.862 H165 A1MA6 349 
A1MA6 H166 H166 H 0 0 N N N N N N 149.694 151.690 124.296 11.893  10.034  -1.259 H166 A1MA6 350 
A1MA6 H168 H168 H 0 0 N N N N N N 146.851 155.723 122.068 16.355  6.106   1.156  H168 A1MA6 351 
A1MA6 H169 H169 H 0 0 N N N N N N 146.762 162.018 123.701 22.066  6.632   -0.576 H169 A1MA6 352 
A1MA6 H170 H170 H 0 0 N N N N N N 146.554 163.521 122.299 23.750  6.363   0.566  H170 A1MA6 353 
A1MA6 H171 H171 H 0 0 N N N N N N 141.837 164.208 118.943 24.148  3.177   3.872  H171 A1MA6 354 
A1MA6 H172 H172 H 0 0 N N N N N N 141.527 165.348 120.964 22.410  3.186   5.512  H172 A1MA6 355 
A1MA6 H173 H173 H 0 0 N N N N N N 144.153 166.174 118.796 24.773  0.799   4.349  H173 A1MA6 356 
A1MA6 H174 H174 H 0 0 N N N N N N 142.066 167.005 118.135 25.334  1.764   2.235  H174 A1MA6 357 
A1MA6 H175 H175 H 0 0 N N N N N N 143.239 163.903 116.995 23.363  -0.993  3.314  H175 A1MA6 358 
A1MA6 H176 H176 H 0 0 N N N N N N 144.173 165.755 115.899 22.998  -0.379  5.594  H176 A1MA6 359 
A1MA6 H177 H177 H 0 0 N N N N N N 148.619 162.587 117.770 20.684  -1.393  0.037  H177 A1MA6 360 
A1MA6 H178 H178 H 0 0 N N N N N N 146.873 162.477 117.363 19.488  -0.211  -0.548 H178 A1MA6 361 
A1MA6 H179 H179 H 0 0 N N N N N N 147.806 163.947 116.924 21.049  0.348   0.100  H179 A1MA6 362 
A1MA6 H180 H180 H 0 0 N N N N N N 148.667 166.201 120.731 17.484  -0.343  3.175  H180 A1MA6 363 
A1MA6 H181 H181 H 0 0 N N N N N N 149.951 162.806 121.602 16.645  0.553   1.696  H181 A1MA6 364 
A1MA6 H182 H182 H 0 0 N N N N N N 151.889 163.458 121.163 15.409  -0.905  2.281  H182 A1MA6 365 
A1MA6 H183 H183 H 0 0 N N N N N N 152.528 168.912 120.732 14.070  -3.707  -2.679 H183 A1MA6 366 
A1MA6 H184 H184 H 0 0 N N N N N N 151.789 170.141 119.530 12.567  -2.818  -3.349 H184 A1MA6 367 
A1MA6 H185 H185 H 0 0 N N N N N N 146.504 170.578 118.615 7.813   -3.117  -1.669 H185 A1MA6 368 
A1MA6 H186 H186 H 0 0 N N N N N N 150.064 171.084 120.297 10.967  -5.905  -0.268 H186 A1MA6 369 
A1MA6 H187 H187 H 0 0 N N N N N N 148.942 171.902 116.517 9.730   -6.273  1.394  H187 A1MA6 370 
A1MA6 H188 H188 H 0 0 N N N N N N 149.117 179.215 119.021 5.448   -11.060 -0.939 H188 A1MA6 371 
A1MA6 H189 H189 H 0 0 N N N N N N 144.078 176.200 116.220 2.838   -8.328  -6.378 H189 A1MA6 372 
A1MA6 H190 H190 H 0 0 N N N N N N 144.371 174.137 113.497 1.357   -7.171  -7.110 H190 A1MA6 373 
A1MA6 H191 H191 H 0 0 N N N N N N 145.173 170.606 113.871 0.786   -1.893  -3.304 H191 A1MA6 374 
A1MA6 H192 H192 H 0 0 N N N N N N 146.471 169.521 113.268 1.762   -2.658  -2.026 H192 A1MA6 375 
A1MA6 H193 H193 H 0 0 N N N N N N 146.698 169.743 115.614 3.138   -2.036  -4.024 H193 A1MA6 376 
A1MA6 H194 H194 H 0 0 N N N N N N 148.797 170.765 115.594 3.657   -4.010  -2.724 H194 A1MA6 377 
A1MA6 H195 H195 H 0 0 N N N N N N 147.239 172.243 116.351 2.781   -3.354  -6.123 H195 A1MA6 378 
A1MA6 H196 H196 H 0 0 N N N N N N 145.429 170.931 117.064 1.733   -1.220  -5.882 H196 A1MA6 379 
A1MA6 H197 H197 H 0 0 N N N N N N 144.366 170.701 112.536 0.245   -4.469  -0.496 H197 A1MA6 380 
A1MA6 H198 H198 H 0 0 N N N N N N 147.439 170.539 110.473 -2.499  -4.485  -4.012 H198 A1MA6 381 
A1MA6 H199 H199 H 0 0 N N N N N N 146.241 175.445 108.599 -4.431  -6.216  1.077  H199 A1MA6 382 
A1MA6 H200 H200 H 0 0 N N N N N N 150.579 172.112 106.680 -7.323  -8.543  -2.694 H200 A1MA6 383 
A1MA6 H201 H201 H 0 0 N N N N N N 151.379 172.036 105.074 -8.992  -9.127  -2.487 H201 A1MA6 384 
A1MA6 H202 H202 H 0 0 N N N N N N 151.640 173.457 106.141 -8.688  -7.410  -2.845 H202 A1MA6 385 
A1MA6 H203 H203 H 0 0 N N N N N N 149.460 172.966 102.641 -10.142 -6.488  -1.884 H203 A1MA6 386 
A1MA6 H204 H204 H 0 0 N N N N N N 153.880 178.871 102.460 -14.898 -8.827  2.498  H204 A1MA6 387 
A1MA6 H205 H205 H 0 0 N N N N N N 154.375 178.365 104.694 -13.935 -11.009 2.632  H205 A1MA6 388 
A1MA6 H206 H206 H 0 0 N N N N N N 151.670 179.838 103.032 -14.857 -10.284 0.461  H206 A1MA6 389 
A1MA6 H207 H207 H 0 0 N N N N N N 150.602 178.774 101.244 -15.707 -8.053  0.299  H207 A1MA6 390 
A1MA6 H208 H208 H 0 0 N N N N N N 151.051 178.194 104.737 -12.415 -10.565 0.289  H208 A1MA6 391 
A1MA6 H209 H209 H 0 0 N N N N N N 148.884 177.877 103.918 -13.678 -10.671 -1.736 H209 A1MA6 392 
A1MA6 H210 H210 H 0 0 N N N N N N 156.495 176.838 101.354 -13.410 -5.055  3.582  H210 A1MA6 393 
A1MA6 H211 H211 H 0 0 N N N N N N 153.397 165.570 94.487  -8.538  4.651   8.444  H211 A1MA6 394 
A1MA6 H212 H212 H 0 0 N N N N N N 151.659 165.980 94.688  -7.242  3.838   9.354  H212 A1MA6 395 
A1MA6 H213 H213 H 0 0 N N N N N N 152.867 167.285 94.436  -6.890  4.580   7.774  H213 A1MA6 396 
A1MA6 H214 H214 H 0 0 N N N N N N 147.995 175.558 95.635  -20.112 7.909   0.776  H214 A1MA6 397 
A1MA6 H215 H215 H 0 0 N N N N N N 150.276 175.884 96.044  -20.222 10.292  0.664  H215 A1MA6 398 
A1MA6 H216 H216 H 0 0 N N N N N N 148.858 172.680 96.083  -19.642 9.120   -1.988 H216 A1MA6 399 
A1MA6 H217 H217 H 0 0 N N N N N N 146.172 173.987 95.549  -20.890 6.457   -1.164 H217 A1MA6 400 
A1MA6 H218 H218 H 0 0 N N N N N N 145.490 171.773 95.810  -21.757 7.432   -3.168 H218 A1MA6 401 
A1MA6 H219 H219 H 0 0 N N N N N N 149.247 173.531 93.937  -22.033 9.052   -1.984 H219 A1MA6 402 
A1MA6 H220 H220 H 0 0 N N N N N N 145.485 171.503 100.579 -15.799 7.611   -1.479 H220 A1MA6 403 
A1MA6 H221 H221 H 0 0 N N N N N N 144.740 168.099 100.496 -14.384 4.658   -3.966 H221 A1MA6 404 
A1MA6 H222 H222 H 0 0 N N N N N N 145.112 169.675 101.273 -15.250 5.137   -5.445 H222 A1MA6 405 
A1MA6 H223 H223 H 0 0 N N N N N N 144.643 169.616 99.540  -13.474 5.249   -5.377 H223 A1MA6 406 
A1MA6 H224 H224 H 0 0 N N N N N N 143.353 166.735 99.025  -9.282  4.861   -6.160 H224 A1MA6 407 
A1MA6 H225 H225 H 0 0 N N N N N N 143.628 165.910 97.454  -10.834 4.819   -5.290 H225 A1MA6 408 
A1MA6 H226 H226 H 0 0 N N N N N N 142.553 165.164 98.684  -10.757 5.479   -6.942 H226 A1MA6 409 
# 
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 
A1MA6 OC9 CC6  SING N N 1   
A1MA6 C02 O01  SING N N 2   
A1MA6 C02 C03  SING N N 3   
A1MA6 CC3 C41  SING N N 4   
A1MA6 OCE C06  DOUB N N 5   
A1MA6 C04 C03  SING N N 6   
A1MA6 C04 N05  SING N N 7   
A1MA6 OC8 CC7  SING N N 8   
A1MA6 CC6 CC7  SING N N 9   
A1MA6 CC6 CC4  SING N N 10  
A1MA6 OC5 CC4  SING N N 11  
A1MA6 CC7 C23  SING N N 12  
A1MA6 C06 N05  SING N N 13  
A1MA6 C06 C07  SING N N 14  
A1MA6 CC4 C25  SING N N 15  
A1MA6 C41 C40  SING N N 16  
A1MA6 C41 C42  SING N N 17  
A1MA6 C39 C40  SING N N 18  
A1MA6 C39 C38  SING N N 19  
A1MA6 OCD C10  DOUB N N 20  
A1MA6 C08 C07  DOUB N E 21  
A1MA6 C08 N09  SING N N 22  
A1MA6 C38 C37  SING N N 23  
A1MA6 C42 C43  SING N N 24  
A1MA6 C37 C36  SING N N 25  
A1MA6 C10 N09  SING N N 26  
A1MA6 C10 C11  SING N N 27  
A1MA6 C23 O24  SING N N 28  
A1MA6 C23 C22  SING N N 29  
A1MA6 C25 O24  SING N N 30  
A1MA6 C25 C26  SING N N 31  
A1MA6 O35 C34  SING N N 32  
A1MA6 O12 C11  SING N N 33  
A1MA6 C43 OC2  SING N N 34  
A1MA6 C43 C44  SING N N 35  
A1MA6 C26 O27  SING N N 36  
A1MA6 C26 C28  SING N N 37  
A1MA6 C22 C21  SING N N 38  
A1MA6 O31 C30  SING N N 39  
A1MA6 C11 C13  SING N N 40  
A1MA6 C36 C34  SING N N 41  
A1MA6 OC2 C47  SING N N 42  
A1MA6 CCC C13  SING N N 43  
A1MA6 C30 C28  SING N N 44  
A1MA6 C30 C32  SING N N 45  
A1MA6 O20 C19  SING N N 46  
A1MA6 C34 C32  SING N N 47  
A1MA6 C14 C13  SING N N 48  
A1MA6 C14 C15  SING N N 49  
A1MA6 C21 C19  SING N N 50  
A1MA6 C21 OCA  SING N N 51  
A1MA6 C45 C44  SING N N 52  
A1MA6 C28 O29  SING N N 53  
A1MA6 C44 O46  SING N N 54  
A1MA6 C44 C51  SING N N 55  
A1MA6 C32 O33  SING N N 56  
A1MA6 C53 C54  SING N N 57  
A1MA6 C53 C52  SING N N 58  
A1MA6 C19 C18  SING N N 59  
A1MA6 C54 C55  SING N N 60  
A1MA6 C47 O46  SING N N 61  
A1MA6 C47 C52  SING N N 62  
A1MA6 C47 C48  SING N N 63  
A1MA6 C17 C18  DOUB N E 64  
A1MA6 C17 C15  SING N N 65  
A1MA6 C18 CCB  SING N N 66  
A1MA6 C15 O16  SING N N 67  
A1MA6 C51 C49  SING N N 68  
A1MA6 C49 C48  SING N N 69  
A1MA6 C49 C50  SING N N 70  
A1MA6 C55 C56  SING N N 71  
A1MA6 C56 C57  SING N N 72  
A1MA6 OBY CBX  SING N N 73  
A1MA6 C57 C58  SING N N 74  
A1MA6 OC1 C59  SING N N 75  
A1MA6 O64 C63  SING N N 76  
A1MA6 C59 C58  SING N N 77  
A1MA6 C59 C60  SING N N 78  
A1MA6 CBX CBV  SING N N 79  
A1MA6 CBX CBZ  SING N N 80  
A1MA6 OBU C66  SING N N 81  
A1MA6 C61 CBV  SING N N 82  
A1MA6 C61 C60  SING N N 83  
A1MA6 C61 O62  SING N N 84  
A1MA6 CBV OBW  SING N N 85  
A1MA6 OC0 CBZ  SING N N 86  
A1MA6 C63 CBZ  SING N N 87  
A1MA6 C63 O62  SING N N 88  
A1MA6 C63 C65  SING N N 89  
A1MA6 C66 C65  SING N N 90  
A1MA6 C66 C67  SING N N 91  
A1MA6 C67 CBT  SING N N 92  
A1MA6 C67 C68  SING N N 93  
A1MA6 C68 C69  DOUB N E 94  
A1MA6 C69 C70  SING N N 95  
A1MA6 OBS C70  SING N N 96  
A1MA6 C70 C71  SING N N 97  
A1MA6 C71 C72  SING N N 98  
A1MA6 C72 C73  SING N N 99  
A1MA6 OBR C73  SING N N 100 
A1MA6 C73 C74  SING N N 101 
A1MA6 OBQ C74  SING N N 102 
A1MA6 C74 C75  SING N N 103 
A1MA6 C75 O76  SING N N 104 
A1MA6 C75 CBL  SING N N 105 
A1MA6 O88 C83  SING N N 106 
A1MA6 O76 C77  SING N N 107 
A1MA6 CBL CBM  SING N N 108 
A1MA6 O87 C84  SING N N 109 
A1MA6 C83 C84  SING N N 110 
A1MA6 C83 C82  SING N N 111 
A1MA6 OBK C79  SING N N 112 
A1MA6 C81 C82  SING N N 113 
A1MA6 C81 C80  SING N N 114 
A1MA6 C79 C80  SING N N 115 
A1MA6 C79 C78  SING N N 116 
A1MA6 C77 C78  SING N N 117 
A1MA6 C77 CBO  SING N N 118 
A1MA6 C84 C85  SING N N 119 
A1MA6 OBN CBM  SING N N 120 
A1MA6 C82 O89  SING N N 121 
A1MA6 CBM CBO  SING N N 122 
A1MA6 C80 OBJ  SING N N 123 
A1MA6 C85 O86  SING N N 124 
A1MA6 C85 C90  SING N N 125 
A1MA6 O89 C90  SING N N 126 
A1MA6 CBO OBP  SING N N 127 
A1MA6 C90 C91  SING N N 128 
A1MA6 C93 C94  DOUB N Z 129 
A1MA6 C93 C92  SING N N 130 
A1MA6 OB9 CB8  SING N N 131 
A1MA6 C94 C95  SING N N 132 
A1MA6 C91 C92  SING N N 133 
A1MA6 OBH C98  SING N N 134 
A1MA6 C92 OBI  SING N N 135 
A1MA6 CA2 CA3  DOUB N Z 136 
A1MA6 CA2 CA1  SING N N 137 
A1MA6 CB8 CAC  SING N N 138 
A1MA6 CB8 CB6  SING N N 139 
A1MA6 CA3 CA4  SING N N 140 
A1MA6 C95 C96  DOUB N E 141 
A1MA6 OB7 CB6  SING N N 142 
A1MA6 CBA CAA  SING N N 143 
A1MA6 C96 C97  SING N N 144 
A1MA6 C98 C97  SING N N 145 
A1MA6 C98 C99  SING N N 146 
A1MA6 CAC CAB  SING N N 147 
A1MA6 CAC OAD  SING N N 148 
A1MA6 CB6 CB4  SING N N 149 
A1MA6 CA0 CA1  SING N N 150 
A1MA6 CA0 OBF  SING N N 151 
A1MA6 CA0 C99  SING N N 152 
A1MA6 CAB CAA  SING N N 153 
A1MA6 CA4 CA5  SING N N 154 
A1MA6 CA4 CBE  DOUB N N 155 
A1MA6 CAA CA9  SING N N 156 
A1MA6 CA6 CA5  SING N N 157 
A1MA6 CA6 CA7  SING N N 158 
A1MA6 C99 OBG  SING N N 159 
A1MA6 OAD CAE  SING N N 160 
A1MA6 CB4 CAE  SING N N 161 
A1MA6 CB4 OB5  SING N N 162 
A1MA6 CA9 CA8  SING N N 163 
A1MA6 CA9 OBB  SING N N 164 
A1MA6 CA8 CA7  SING N N 165 
A1MA6 CA8 OBC  SING N N 166 
A1MA6 CAE CAF  SING N N 167 
A1MA6 CA7 OBD  SING N N 168 
A1MA6 CAL CAM  SING N N 169 
A1MA6 CAL CAK  SING N N 170 
A1MA6 CAN CAM  SING N N 171 
A1MA6 CAN CB0  SING N N 172 
A1MA6 CAM OAO  SING N N 173 
A1MA6 CAJ CAK  SING N N 174 
A1MA6 CAJ CAI  SING N N 175 
A1MA6 CAF CAG  DOUB N Z 176 
A1MA6 OB1 CAK  SING N N 177 
A1MA6 OB1 CB0  SING N N 178 
A1MA6 CAH CAG  SING N N 179 
A1MA6 CAH CAI  SING N N 180 
A1MA6 CAH OB3  SING N N 181 
A1MA6 CB0 CAP  SING N N 182 
A1MA6 CAI OB2  SING N N 183 
A1MA6 OAO CAP  SING N N 184 
A1MA6 CAP CAQ  SING N N 185 
A1MA6 CAQ CAR  SING N N 186 
A1MA6 CAR CAS  SING N N 187 
A1MA6 NAY CAX  SING N N 188 
A1MA6 OAU CAT  SING N N 189 
A1MA6 CAW CAX  SING N N 190 
A1MA6 CAW OAZ  SING N N 191 
A1MA6 CAW CAV  SING N N 192 
A1MA6 CAS OAZ  SING N N 193 
A1MA6 CAS CAT  SING N N 194 
A1MA6 CAT CAV  SING N N 195 
A1MA6 O01 H1   SING N N 196 
A1MA6 C02 H2   SING N N 197 
A1MA6 C02 H3   SING N N 198 
A1MA6 C03 H4   SING N N 199 
A1MA6 C03 H5   SING N N 200 
A1MA6 C04 H6   SING N N 201 
A1MA6 C04 H7   SING N N 202 
A1MA6 N05 H8   SING N N 203 
A1MA6 C07 H9   SING N N 204 
A1MA6 C08 H10  SING N N 205 
A1MA6 N09 H11  SING N N 206 
A1MA6 C11 H12  SING N N 207 
A1MA6 O12 H13  SING N N 208 
A1MA6 C13 H14  SING N N 209 
A1MA6 C14 H15  SING N N 210 
A1MA6 C14 H16  SING N N 211 
A1MA6 C15 H17  SING N N 212 
A1MA6 O16 H18  SING N N 213 
A1MA6 C17 H19  SING N N 214 
A1MA6 C19 H20  SING N N 215 
A1MA6 O20 H21  SING N N 216 
A1MA6 C21 H22  SING N N 217 
A1MA6 C22 H23  SING N N 218 
A1MA6 C22 H24  SING N N 219 
A1MA6 C23 H25  SING N N 220 
A1MA6 C25 H26  SING N N 221 
A1MA6 C26 H27  SING N N 222 
A1MA6 O27 H28  SING N N 223 
A1MA6 C28 H29  SING N N 224 
A1MA6 O29 H30  SING N N 225 
A1MA6 C30 H31  SING N N 226 
A1MA6 O31 H32  SING N N 227 
A1MA6 C32 H33  SING N N 228 
A1MA6 O33 H34  SING N N 229 
A1MA6 C34 H35  SING N N 230 
A1MA6 O35 H36  SING N N 231 
A1MA6 C36 H37  SING N N 232 
A1MA6 C36 H38  SING N N 233 
A1MA6 C37 H39  SING N N 234 
A1MA6 C37 H40  SING N N 235 
A1MA6 C38 H41  SING N N 236 
A1MA6 C38 H42  SING N N 237 
A1MA6 C39 H43  SING N N 238 
A1MA6 C39 H44  SING N N 239 
A1MA6 C40 H45  SING N N 240 
A1MA6 C40 H46  SING N N 241 
A1MA6 C41 H47  SING N N 242 
A1MA6 C42 H48  SING N N 243 
A1MA6 C42 H49  SING N N 244 
A1MA6 C43 H50  SING N N 245 
A1MA6 C45 H51  SING N N 246 
A1MA6 C45 H52  SING N N 247 
A1MA6 C45 H53  SING N N 248 
A1MA6 C48 H54  SING N N 249 
A1MA6 C48 H55  SING N N 250 
A1MA6 C49 H56  SING N N 251 
A1MA6 C50 H57  SING N N 252 
A1MA6 C50 H58  SING N N 253 
A1MA6 C50 H59  SING N N 254 
A1MA6 C51 H60  SING N N 255 
A1MA6 C51 H61  SING N N 256 
A1MA6 C52 H62  SING N N 257 
A1MA6 C52 H63  SING N N 258 
A1MA6 C53 H64  SING N N 259 
A1MA6 C53 H65  SING N N 260 
A1MA6 C54 H66  SING N N 261 
A1MA6 C54 H67  SING N N 262 
A1MA6 C55 H68  SING N N 263 
A1MA6 C55 H69  SING N N 264 
A1MA6 C56 H70  SING N N 265 
A1MA6 C56 H71  SING N N 266 
A1MA6 C57 H72  SING N N 267 
A1MA6 C57 H73  SING N N 268 
A1MA6 C58 H74  SING N N 269 
A1MA6 C58 H75  SING N N 270 
A1MA6 C59 H76  SING N N 271 
A1MA6 C60 H77  SING N N 272 
A1MA6 C60 H78  SING N N 273 
A1MA6 C61 H79  SING N N 274 
A1MA6 O64 H80  SING N N 275 
A1MA6 C65 H81  SING N N 276 
A1MA6 C65 H82  SING N N 277 
A1MA6 C66 H83  SING N N 278 
A1MA6 C67 H84  SING N N 279 
A1MA6 C68 H85  SING N N 280 
A1MA6 C69 H87  SING N N 281 
A1MA6 C70 H89  SING N N 282 
A1MA6 C71 H90  SING N N 283 
A1MA6 C71 H91  SING N N 284 
A1MA6 C72 H92  SING N N 285 
A1MA6 C72 H93  SING N N 286 
A1MA6 C73 H94  SING N N 287 
A1MA6 C74 H95  SING N N 288 
A1MA6 C75 H96  SING N N 289 
A1MA6 C77 H97  SING N N 290 
A1MA6 C78 H98  SING N N 291 
A1MA6 C78 H99  SING N N 292 
A1MA6 C79 H100 SING N N 293 
A1MA6 C80 H101 SING N N 294 
A1MA6 C81 H102 SING N N 295 
A1MA6 C81 H103 SING N N 296 
A1MA6 C82 H104 SING N N 297 
A1MA6 C83 H105 SING N N 298 
A1MA6 C84 H106 SING N N 299 
A1MA6 C85 H107 SING N N 300 
A1MA6 O86 H108 SING N N 301 
A1MA6 O87 H109 SING N N 302 
A1MA6 O88 H110 SING N N 303 
A1MA6 C90 H111 SING N N 304 
A1MA6 C91 H112 SING N N 305 
A1MA6 C91 H113 SING N N 306 
A1MA6 C92 H114 SING N N 307 
A1MA6 C93 H115 SING N N 308 
A1MA6 C94 H116 SING N N 309 
A1MA6 C95 H117 SING N N 310 
A1MA6 C96 H118 SING N N 311 
A1MA6 C97 H119 SING N N 312 
A1MA6 C97 H120 SING N N 313 
A1MA6 C98 H121 SING N N 314 
A1MA6 C99 H122 SING N N 315 
A1MA6 CA0 H123 SING N N 316 
A1MA6 CA1 H124 SING N N 317 
A1MA6 CA1 H125 SING N N 318 
A1MA6 CA2 H126 SING N N 319 
A1MA6 CA3 H127 SING N N 320 
A1MA6 CA5 H128 SING N N 321 
A1MA6 CA5 H129 SING N N 322 
A1MA6 CA6 H130 SING N N 323 
A1MA6 CA6 H131 SING N N 324 
A1MA6 CA7 H132 SING N N 325 
A1MA6 CA8 H133 SING N N 326 
A1MA6 CA9 H134 SING N N 327 
A1MA6 CAA H135 SING N N 328 
A1MA6 CAB H136 SING N N 329 
A1MA6 CAB H137 SING N N 330 
A1MA6 CAC H138 SING N N 331 
A1MA6 CAE H139 SING N N 332 
A1MA6 CAF H140 SING N N 333 
A1MA6 CAG H141 SING N N 334 
A1MA6 CAH H142 SING N N 335 
A1MA6 CAI H143 SING N N 336 
A1MA6 CAJ H144 SING N N 337 
A1MA6 CAJ H145 SING N N 338 
A1MA6 CAK H146 SING N N 339 
A1MA6 CAL H147 SING N N 340 
A1MA6 CAL H148 SING N N 341 
A1MA6 CAM H149 SING N N 342 
A1MA6 CAN H150 SING N N 343 
A1MA6 CAN H151 SING N N 344 
A1MA6 CAP H152 SING N N 345 
A1MA6 CAQ H153 SING N N 346 
A1MA6 CAQ H154 SING N N 347 
A1MA6 CAR H155 SING N N 348 
A1MA6 CAR H156 SING N N 349 
A1MA6 CAS H157 SING N N 350 
A1MA6 CAT H158 SING N N 351 
A1MA6 OAU H159 SING N N 352 
A1MA6 CAV H160 SING N N 353 
A1MA6 CAV H161 SING N N 354 
A1MA6 CAW H162 SING N N 355 
A1MA6 CAX H163 SING N N 356 
A1MA6 CAX H164 SING N N 357 
A1MA6 NAY H165 SING N N 358 
A1MA6 NAY H166 SING N N 359 
A1MA6 CB0 H168 SING N N 360 
A1MA6 OB2 H169 SING N N 361 
A1MA6 OB3 H170 SING N N 362 
A1MA6 CB4 H171 SING N N 363 
A1MA6 OB5 H172 SING N N 364 
A1MA6 CB6 H173 SING N N 365 
A1MA6 OB7 H174 SING N N 366 
A1MA6 CB8 H175 SING N N 367 
A1MA6 OB9 H176 SING N N 368 
A1MA6 CBA H177 SING N N 369 
A1MA6 CBA H178 SING N N 370 
A1MA6 CBA H179 SING N N 371 
A1MA6 OBB H180 SING N N 372 
A1MA6 OBC H181 SING N N 373 
A1MA6 OBD H182 SING N N 374 
A1MA6 CBE H183 SING N N 375 
A1MA6 CBE H184 SING N N 376 
A1MA6 OBF H185 SING N N 377 
A1MA6 OBG H186 SING N N 378 
A1MA6 OBH H187 SING N N 379 
A1MA6 OBI H188 SING N N 380 
A1MA6 OBJ H189 SING N N 381 
A1MA6 OBK H190 SING N N 382 
A1MA6 CBL H191 SING N N 383 
A1MA6 CBL H192 SING N N 384 
A1MA6 CBM H193 SING N N 385 
A1MA6 OBN H194 SING N N 386 
A1MA6 CBO H195 SING N N 387 
A1MA6 OBP H196 SING N N 388 
A1MA6 OBQ H197 SING N N 389 
A1MA6 OBR H198 SING N N 390 
A1MA6 OBS H199 SING N N 391 
A1MA6 CBT H200 SING N N 392 
A1MA6 CBT H201 SING N N 393 
A1MA6 CBT H202 SING N N 394 
A1MA6 OBU H203 SING N N 395 
A1MA6 CBV H204 SING N N 396 
A1MA6 OBW H205 SING N N 397 
A1MA6 CBX H206 SING N N 398 
A1MA6 OBY H207 SING N N 399 
A1MA6 CBZ H208 SING N N 400 
A1MA6 OC0 H209 SING N N 401 
A1MA6 OC1 H210 SING N N 402 
A1MA6 CC3 H211 SING N N 403 
A1MA6 CC3 H212 SING N N 404 
A1MA6 CC3 H213 SING N N 405 
A1MA6 CC4 H214 SING N N 406 
A1MA6 OC5 H215 SING N N 407 
A1MA6 CC6 H216 SING N N 408 
A1MA6 CC7 H217 SING N N 409 
A1MA6 OC8 H218 SING N N 410 
A1MA6 OC9 H219 SING N N 411 
A1MA6 OCA H220 SING N N 412 
A1MA6 CCB H221 SING N N 413 
A1MA6 CCB H222 SING N N 414 
A1MA6 CCB H223 SING N N 415 
A1MA6 CCC H224 SING N N 416 
A1MA6 CCC H225 SING N N 417 
A1MA6 CCC H226 SING N N 418 
# 
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 
A1MA6 InChI            InChI                1.06  
;InChI=1S/C129H223N3O54/c1-62(29-33-81(143)108(158)103(153)68(7)47-93-111(161)117(167)110(160)91(180-93)36-35-76(138)82(144)51-73-50-74-53-92(178-73)90(177-74)38-37-89-85(147)52-75(61-130)179-89)23-20-28-78(140)105(155)77(139)26-18-13-16-25-70(135)48-94-112(162)118(168)113(163)97(181-94)55-84(146)83(145)54-95-107(157)87(149)57-96(182-95)106(156)80(142)34-32-69(134)31-30-65(4)88(150)60-129(176)125(174)123(173)115(165)99(184-129)49-71(136)24-15-10-9-11-19-40-128-59-64(3)58-127(8,186-128)100(185-128)44-63(2)22-14-12-17-27-79(141)109(159)116(166)120(170)122(172)124-121(171)119(169)114(164)98(183-124)56-86(148)102(152)66(5)45-72(137)46-67(6)104(154)126(175)132-42-39-101(151)131-41-21-43-133/h13,16,18,20,23,25,30-31,35-36,39,42,45,63-65,67-100,102-125,133-150,152-174,176H,1,9-12,14-15,17,19,21-22,24,26-29,32-34,37-38,40-41,43-44,46-61,130H2,2-8H3,(H,131,151)(H,132,175)/b18-13+,23-20-,25-16-,31-30+,36-35-,42-39+,66-45+/t63-,64-,65-,67+,68+,69+,70+,71-,72-,73-,74+,75-,76+,77+,78+,79+,80+,81-,82+,83+,84+,85+,86-,87+,88-,89+,90+,91+,92-,93+,94-,95+,96-,97+,98+,99+,100+,102+,103+,104-,105-,106+,107-,108+,109-,110+,111-,112-,113+,114-,115-,116-,117-,118+,119+,120+,121-,122-,123+,124-,125+,127+,128-,129-/m0/s1
;
A1MA6 InChIKey         InChI                1.06  CWODDUGJZSCNGB-HQNRRURTSA-N 
A1MA6 SMILES_CANONICAL CACTVS               3.385 "C[C@@H](CCCCC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@H](C[C@H](O)[C@H](O)/C(C)=C/[C@H](O)C[C@@H](C)[C@H](O)C(=O)N\C=C\C(=O)NCCCO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@H]2O[C@]3(CCCCCCC[C@H](O)C[C@H]4O[C@@](O)(C[C@H](O)[C@@H](C)\C=C\[C@@H](O)CC[C@@H](O)[C@@H](O)[C@@H]5C[C@@H](O)[C@H](O)[C@@H](C[C@@H](O)[C@H](O)C[C@H]6O[C@@H](C[C@H](O)\C=C/C=C/C[C@@H](O)[C@H](O)[C@H](O)C\C=C/C(=C)CC[C@H](O)[C@@H](O)[C@H](O)[C@H](C)C[C@H]7O[C@H](\C=C/[C@@H](O)[C@H](O)C[C@@H]8C[C@@H]9C[C@H](O8)[C@@H](CC[C@H]%10O[C@H](CN)C[C@H]%10O)O9)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@@H](O)[C@@H]6O)O5)[C@H](O)[C@H](O)[C@H]4O)C[C@@H](C)C[C@@]2(C)O3" 
A1MA6 SMILES           CACTVS               3.385 "C[CH](CCCCC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O[CH](C[CH](O)[CH](O)C(C)=C[CH](O)C[CH](C)[CH](O)C(=O)NC=CC(=O)NCCCO)[CH](O)[CH](O)[CH]1O)C[CH]2O[C]3(CCCCCCC[CH](O)C[CH]4O[C](O)(C[CH](O)[CH](C)C=C[CH](O)CC[CH](O)[CH](O)[CH]5C[CH](O)[CH](O)[CH](C[CH](O)[CH](O)C[CH]6O[CH](C[CH](O)C=CC=CC[CH](O)[CH](O)[CH](O)CC=CC(=C)CC[CH](O)[CH](O)[CH](O)[CH](C)C[CH]7O[CH](C=C[CH](O)[CH](O)C[CH]8C[CH]9C[CH](O8)[CH](CC[CH]%10O[CH](CN)C[CH]%10O)O9)[CH](O)[CH](O)[CH]7O)[CH](O)[CH](O)[CH]6O)O5)[CH](O)[CH](O)[CH]4O)C[CH](C)C[C]2(C)O3" 
A1MA6 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C[C@H]1C[C@@]2([C@H](O[C@](C1)(O2)CCCCCCC[C@@H](C[C@@H]3[C@@H]([C@H]([C@H]([C@@](O3)(C[C@@H]([C@@H](C)/C=C/[C@H](CC[C@H]([C@H]([C@@H]4C[C@H]([C@@H]([C@H](O4)C[C@H]([C@@H](C[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C[C@@H](/C=C\C=C\C[C@H]([C@@H]([C@@H](C/C=C\C(=C)CC[C@@H]([C@H]([C@@H]([C@H](C)C[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)/C=C\[C@H]([C@@H](C[C@@H]7C[C@@H]8C[C@H](O7)[C@H](O8)CC[C@@H]9[C@@H](C[C@H](O9)CN)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)C[C@@H](C)CCCCC[C@H]([C@@H]([C@@H]([C@H]([C@@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C[C@@H]([C@@H](/C(=C/[C@@H](C[C@@H](C)[C@@H](C(=O)N/C=C/C(=O)NCCCO)O)O)/C)O)O)O)O)O)O)O)O)O)O)C" 
A1MA6 SMILES           "OpenEye OEToolkits" 2.0.7 "CC1CC2(C(OC(C1)(O2)CCCCCCCC(CC3C(C(C(C(O3)(CC(C(C)C=CC(CCC(C(C4CC(C(C(O4)CC(C(CC5C(C(C(C(O5)CC(C=CC=CCC(C(C(CC=CC(=C)CCC(C(C(C(C)CC6C(C(C(C(O6)C=CC(C(CC7CC8CC(O7)C(O8)CCC9C(CC(O9)CN)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)CC(C)CCCCCC(C(C(C(C(C1C(C(C(C(O1)CC(C(C(=CC(CC(C)C(C(=O)NC=CC(=O)NCCCO)O)O)C)O)O)O)O)O)O)O)O)O)O)C" 
# 
_pdbx_chem_comp_identifier.comp_id           A1MA6 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        
;(~{E},2~{S},3~{R},5~{R},8~{R},9~{S})-10-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-[(1~{S},2~{R},3~{S},4~{S},5~{R},11~{S})-12-[(1~{R},3~{S},5~{S},7~{R})-5-[(8~{S})-9-[(2~{R},3~{R},4~{R},5~{R},6~{S})-6-[(~{E},2~{S},3~{S},6~{S},9~{R},10~{R})-10-[(2~{S},4~{R},5~{S},6~{R})-6-[(2~{R},3~{R})-4-[(2~{R},3~{S},4~{R},5~{R},6~{S})-6-[(2~{S},3~{Z},5~{E},8~{R},9~{S},10~{R},12~{Z},17~{S},18~{R},19~{R},20~{R})-21-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-[(~{Z},3~{R},4~{R})-5-[(1~{S},3~{R},5~{R},7~{R})-7-[2-[(2~{R},3~{R},5~{S})-5-(aminomethyl)-3-oxidanyl-oxolan-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-bis(oxidanyl)pent-1-enyl]-3,4,5-tris(oxidanyl)oxan-2-yl]-20-methyl-14-methylidene-2,8,9,10,17,18,19-heptakis(oxidanyl)henicosa-3,5,12-trienyl]-3,4,5-tris(oxidanyl)oxan-2-yl]-2,3-bis(oxidanyl)butyl]-4,5-bis(oxidanyl)oxan-2-yl]-3-methyl-2,6,9,10-tetrakis(oxidanyl)dec-4-enyl]-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]-8-oxidanyl-nonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-11-methyl-1,2,3,4,5-pentakis(oxidanyl)dodecyl]-3,4,5-tris(oxidanyl)oxan-2-yl]-3,7-dimethyl-2,5,8,9-tetrakis(oxidanyl)-~{N}-[(~{E})-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-enyl]dec-6-enamide
;
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1MA6 "Create component" 2025-07-16 PDBJ 
A1MA6 "Initial release"  2025-10-01 RCSB 
# 
