data_RH9
# 
_chem_comp.id                                    RH9 
_chem_comp.name                                  RHIZOPODIN 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             ? 
_chem_comp.formula                               "C78 H124 N4 O22" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2008-07-25 
_chem_comp.pdbx_modified_date                    2009-02-20 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        1469.833 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     RH9 
_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        2VYP 
_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 
RH9 O69  O69  O 0 1 N N N 21.151 18.241 5.846  21.151 18.241 5.846  O69  RH9 1   
RH9 C69  C69  C 0 1 N N N 21.139 17.004 5.939  21.139 17.004 5.939  C69  RH9 2   
RH9 N68  N68  N 0 1 N N N 21.391 16.248 4.940  21.391 16.248 4.940  N68  RH9 3   
RH9 C78  C78  C 0 1 N N N 21.667 16.853 3.639  21.667 16.853 3.639  C78  RH9 4   
RH9 C68  C68  C 0 1 N N N 21.411 14.972 5.088  21.411 14.972 5.088  C68  RH9 5   
RH9 C67  C67  C 0 1 N N N 21.696 14.130 4.087  21.696 14.130 4.087  C67  RH9 6   
RH9 C66  C66  C 0 1 N N N 21.710 12.643 4.317  21.710 12.643 4.317  C66  RH9 7   
RH9 C65  C65  C 0 1 N N R 23.090 12.000 4.071  23.090 12.000 4.071  C65  RH9 8   
RH9 O65  O65  O 0 1 N N N 23.439 12.194 2.688  23.439 12.194 2.688  O65  RH9 9   
RH9 C77  C77  C 0 1 N N N 22.697 11.342 1.813  22.697 11.342 1.813  C77  RH9 10  
RH9 C64  C64  C 0 1 N N R 24.174 12.539 4.996  24.174 12.539 4.996  C64  RH9 11  
RH9 C76  C76  C 0 1 N N N 23.890 12.309 6.487  23.890 12.309 6.487  C76  RH9 12  
RH9 C63  C63  C 0 1 N N N 25.491 11.900 4.619  25.491 11.900 4.619  C63  RH9 13  
RH9 O63  O63  O 0 1 N N N 25.643 10.663 4.569  25.643 10.663 4.569  O63  RH9 14  
RH9 C62  C62  C 0 1 N N N 26.643 12.842 4.294  26.643 12.842 4.294  C62  RH9 15  
RH9 C61  C61  C 0 1 N N N 27.996 12.128 4.305  27.996 12.128 4.305  C61  RH9 16  
RH9 C60  C60  C 0 1 N N S 29.140 13.112 4.095  29.140 13.112 4.095  C60  RH9 17  
RH9 C75  C75  C 0 1 N N N 28.984 13.788 2.721  28.984 13.788 2.721  C75  RH9 18  
RH9 C59  C59  C 0 1 N N S 30.520 12.460 4.239  30.520 12.460 4.239  C59  RH9 19  
RH9 O59  O59  O 0 1 N N N 30.738 12.012 5.580  30.738 12.012 5.580  O59  RH9 20  
RH9 C74  C74  C 0 1 N N N 30.933 13.049 6.552  30.933 13.049 6.552  C74  RH9 21  
RH9 C58  C58  C 0 1 N N N 30.681 11.314 3.200  30.681 11.314 3.200  C58  RH9 22  
RH9 C57  C57  C 0 1 N N S 32.179 10.995 2.974  32.179 10.995 2.974  C57  RH9 23  
RH9 O58  O58  O 0 1 N N N 32.970 12.119 2.568  32.970 12.119 2.568  O58  RH9 24  
RH9 C1   C1   C 0 1 N N N 33.812 12.738 3.579  33.812 12.738 3.579  C1   RH9 25  
RH9 O1   O1   O 0 1 N N N 33.911 12.268 4.717  33.911 12.268 4.717  O1   RH9 26  
RH9 C2   C2   C 0 1 N N N 34.536 13.975 3.166  34.536 13.975 3.166  C2   RH9 27  
RH9 C3   C3   C 0 1 N N S 36.000 13.828 3.536  36.000 13.828 3.536  C3   RH9 28  
RH9 O3   O3   O 0 1 N N N 36.478 12.778 2.753  36.478 12.778 2.753  O3   RH9 29  
RH9 C4   C4   C 0 1 N N N 36.710 15.108 3.207  36.710 15.108 3.207  C4   RH9 30  
RH9 C5   C5   C 0 1 N N R 38.214 15.070 3.490  38.214 15.070 3.490  C5   RH9 31  
RH9 O5   O5   O 0 1 N N N 38.805 16.181 2.818  38.805 16.181 2.818  O5   RH9 32  
RH9 C31  C31  C 0 1 N N N 40.241 16.232 2.952  40.241 16.232 2.952  C31  RH9 33  
RH9 C6   C6   C 0 1 N N N 38.424 15.141 4.971  38.424 15.141 4.971  C6   RH9 34  
RH9 C7   C7   C 0 1 N N N 38.491 14.027 5.675  38.491 14.027 5.675  C7   RH9 35  
RH9 C8   C8   C 0 1 N N N 38.680 14.113 7.112  38.680 14.113 7.112  C8   RH9 36  
RH9 C9   C9   C 0 1 N N N 38.783 12.997 7.852  38.783 12.997 7.852  C9   RH9 37  
RH9 C10  C10  C 0 1 N N N 38.989 13.093 9.350  38.989 13.093 9.350  C10  RH9 38  
RH9 C11  C11  C 0 1 N N S 37.941 12.230 10.010 37.941 12.230 10.010 C11  RH9 39  
RH9 O11  O11  O 0 1 N N N 37.922 12.618 11.381 37.922 12.618 11.381 O11  RH9 40  
RH9 C32  C32  C 0 1 N N N 36.790 12.054 12.074 36.790 12.054 12.074 C32  RH9 41  
RH9 C12  C12  C 0 1 Y N N 38.209 10.753 9.845  38.209 10.753 9.845  C12  RH9 42  
RH9 N12  N12  N 0 1 Y N N 39.210 9.907  10.209 39.210 9.907  10.209 N12  RH9 43  
RH9 C13  C13  C 0 1 Y N N 37.245 10.044 9.177  37.245 10.044 9.177  C13  RH9 44  
RH9 O13  O13  O 0 1 Y N N 37.712 8.656  9.133  37.712 8.656  9.133  O13  RH9 45  
RH9 C14  C14  C 0 1 Y N N 38.906 8.653  9.784  38.906 8.653  9.784  C14  RH9 46  
RH9 C15  C15  C 0 1 N N N 39.758 7.425  9.990  39.758 7.425  9.990  C15  RH9 47  
RH9 C16  C16  C 0 1 N N S 40.701 7.345  8.821  40.701 7.345  8.821  C16  RH9 48  
RH9 O16  O16  O 0 1 N N N 39.927 7.072  7.669  39.927 7.072  7.669  O16  RH9 49  
RH9 C17  C17  C 0 1 N N N 41.782 6.261  8.931  41.782 6.261  8.931  C17  RH9 50  
RH9 C33  C33  C 0 1 N N N 41.076 4.918  8.983  41.076 4.918  8.983  C33  RH9 51  
RH9 C34  C34  C 0 1 N N N 42.714 6.531  10.121 42.714 6.531  10.121 C34  RH9 52  
RH9 C56  C56  C 0 1 N N N 32.637 9.795  2.145  32.637 9.795  2.145  C56  RH9 53  
RH9 C73  C73  C 0 1 N N N 31.932 8.551  2.663  31.932 8.551  2.663  C73  RH9 54  
RH9 C72  C72  C 0 1 N N N 32.137 10.024 0.720  32.137 10.024 0.720  C72  RH9 55  
RH9 C55  C55  C 0 1 N N S 34.177 9.667  2.171  34.177 9.667  2.171  C55  RH9 56  
RH9 O55  O55  O 0 1 N N N 34.515 9.280  3.488  34.515 9.280  3.488  O55  RH9 57  
RH9 C54  C54  C 0 1 N N N 34.777 8.617  1.235  34.777 8.617  1.235  C54  RH9 58  
RH9 C53  C53  C 0 1 Y N N 36.296 8.717  1.092  36.296 8.717  1.092  C53  RH9 59  
RH9 O52  O52  O 0 1 Y N N 37.184 7.903  1.725  37.184 7.903  1.725  O52  RH9 60  
RH9 C52  C52  C 0 1 Y N N 38.523 8.370  1.284  38.523 8.370  1.284  C52  RH9 61  
RH9 N51  N51  N 0 1 Y N N 36.993 9.627  0.341  36.993 9.627  0.341  N51  RH9 62  
RH9 C51  C51  C 0 1 Y N N 38.301 9.420  0.447  38.301 9.420  0.447  C51  RH9 63  
RH9 C50  C50  C 0 1 N N S 39.497 10.100 -0.144 39.497 10.100 -0.144 C50  RH9 64  
RH9 O50  O50  O 0 1 N N N 39.493 10.136 -1.593 39.493 10.136 -1.593 O50  RH9 65  
RH9 C71  C71  C 0 1 N N N 39.598 8.820  -2.137 39.598 8.820  -2.137 C71  RH9 66  
RH9 C49  C49  C 0 1 N N N 39.508 11.549 0.276  39.508 11.549 0.276  C49  RH9 67  
RH9 C48  C48  C 0 1 N N N 39.741 11.750 1.756  39.741 11.750 1.756  C48  RH9 68  
RH9 C47  C47  C 0 1 N N N 40.841 12.389 2.172  40.841 12.389 2.172  C47  RH9 69  
RH9 C46  C46  C 0 1 N N N 41.052 12.584 3.598  41.052 12.584 3.598  C46  RH9 70  
RH9 C45  C45  C 0 1 N N N 42.153 13.184 4.006  42.153 13.184 4.006  C45  RH9 71  
RH9 C44  C44  C 0 1 N N R 42.393 13.405 5.471  42.393 13.405 5.471  C44  RH9 72  
RH9 O44  O44  O 0 1 N N N 42.928 14.741 5.523  42.928 14.741 5.523  O44  RH9 73  
RH9 C70  C70  C 0 1 N N N 42.381 15.508 6.604  42.381 15.508 6.604  C70  RH9 74  
RH9 C43  C43  C 0 1 N N N 43.283 12.327 6.112  43.283 12.327 6.112  C43  RH9 75  
RH9 C42  C42  C 0 1 N N S 42.636 10.927 6.131  42.636 10.927 6.131  C42  RH9 76  
RH9 O42  O42  O 0 1 N N N 41.516 10.868 7.047  41.516 10.868 7.047  O42  RH9 77  
RH9 C41  C41  C 0 1 N N N 43.674 9.879  6.548  43.674 9.879  6.548  C41  RH9 78  
RH9 C40  C40  C 0 1 N N N 43.108 8.480  6.541  43.108 8.480  6.541  C40  RH9 79  
RH9 O40  O40  O 0 1 N N N 42.569 8.057  5.555  42.569 8.057  5.555  O40  RH9 80  
RH9 O18  O18  O 0 1 N N N 43.229 7.636  7.732  43.229 7.636  7.732  O18  RH9 81  
RH9 C18  C18  C 0 1 N N S 42.634 6.347  7.662  42.634 6.347  7.662  C18  RH9 82  
RH9 C19  C19  C 0 1 N N N 43.747 5.288  7.523  43.747 5.288  7.523  C19  RH9 83  
RH9 C20  C20  C 0 1 N N S 44.624 5.555  6.282  44.624 5.555  6.282  C20  RH9 84  
RH9 O20  O20  O 0 1 N N N 43.792 5.301  5.159  43.792 5.301  5.159  O20  RH9 85  
RH9 C35  C35  C 0 1 N N N 44.272 5.661  3.868  44.272 5.661  3.868  C35  RH9 86  
RH9 C21  C21  C 0 1 N N S 45.921 4.712  6.291  45.921 4.712  6.291  C21  RH9 87  
RH9 C36  C36  C 0 1 N N N 46.774 5.154  7.466  46.774 5.154  7.466  C36  RH9 88  
RH9 C22  C22  C 0 1 N N N 45.658 3.216  6.369  45.658 3.216  6.369  C22  RH9 89  
RH9 C23  C23  C 0 1 N N N 46.891 2.411  6.030  46.891 2.411  6.030  C23  RH9 90  
RH9 C24  C24  C 0 1 N N N 46.691 0.930  6.120  46.691 0.930  6.120  C24  RH9 91  
RH9 O24  O24  O 0 1 N N N 45.612 0.459  6.422  45.612 0.459  6.422  O24  RH9 92  
RH9 C25  C25  C 0 1 N N R 47.870 0.025  5.826  47.870 0.025  5.826  C25  RH9 93  
RH9 C37  C37  C 0 1 N N N 47.596 -0.733 4.539  47.596 -0.733 4.539  C37  RH9 94  
RH9 C26  C26  C 0 1 N N R 48.131 -0.938 6.993  48.131 -0.938 6.993  C26  RH9 95  
RH9 O26  O26  O 0 1 N N N 48.077 -0.242 8.264  48.077 -0.242 8.264  O26  RH9 96  
RH9 C38  C38  C 0 1 N N N 48.078 -1.054 9.431  48.078 -1.054 9.431  C38  RH9 97  
RH9 C27  C27  C 0 1 N N N 49.426 -1.731 6.776  49.426 -1.731 6.776  C27  RH9 98  
RH9 C28  C28  C 0 1 N N N 50.642 -0.874 6.460  50.642 -0.874 6.460  C28  RH9 99  
RH9 C29  C29  C 0 1 N N N 51.316 -1.007 5.277  51.316 -1.007 5.277  C29  RH9 100 
RH9 N29  N29  N 0 1 N N N 52.349 -0.302 4.980  52.349 -0.302 4.980  N29  RH9 101 
RH9 C39  C39  C 0 1 N N N 52.842 0.666  5.952  52.842 0.666  5.952  C39  RH9 102 
RH9 C30  C30  C 0 1 N N N 52.933 -0.455 3.844  52.933 -0.455 3.844  C30  RH9 103 
RH9 O30  O30  O 0 1 N N N 53.947 0.163  3.492  53.947 0.163  3.492  O30  RH9 104 
RH9 H69  H69  H 0 1 N N N 20.909 16.553 6.893  20.909 16.552 6.893  H69  RH9 105 
RH9 H781 1H78 H 0 0 N N N 21.736 17.945 3.749  21.736 17.945 3.749  H781 RH9 106 
RH9 H782 2H78 H 0 0 N N N 22.618 16.463 3.248  22.618 16.463 3.248  H782 RH9 107 
RH9 H783 3H78 H 0 0 N N N 20.854 16.606 2.940  20.854 16.606 2.940  H783 RH9 108 
RH9 H68  H68  H 0 1 N N N 21.188 14.561 6.062  21.188 14.561 6.062  H68  RH9 109 
RH9 H67  H67  H 0 1 N N N 21.918 14.522 3.105  21.918 14.522 3.105  H67  RH9 110 
RH9 H661 1H66 H 0 0 N N N 21.424 12.454 5.362  21.424 12.454 5.362  H661 RH9 111 
RH9 H662 2H66 H 0 0 N N N 21.007 12.194 3.600  21.007 12.194 3.600  H662 RH9 112 
RH9 H65  H65  H 0 1 N N N 23.020 10.927 4.301  23.020 10.927 4.301  H65  RH9 113 
RH9 H64  H64  H 0 1 N N N 24.204 13.630 4.861  24.204 13.630 4.861  H64  RH9 114 
RH9 H771 1H77 H 0 0 N N N 22.506 11.866 0.865  22.506 11.866 0.865  H771 RH9 115 
RH9 H772 2H77 H 0 0 N N N 23.274 10.427 1.616  23.274 10.427 1.616  H772 RH9 116 
RH9 H773 3H77 H 0 0 N N N 21.739 11.078 2.285  21.739 11.078 2.284  H773 RH9 117 
RH9 H761 1H76 H 0 0 N N N 24.841 12.254 7.038  24.841 12.254 7.038  H761 RH9 118 
RH9 H762 2H76 H 0 0 N N N 23.288 13.142 6.878  23.288 13.142 6.878  H762 RH9 119 
RH9 H763 3H76 H 0 0 N N N 23.338 11.366 6.614  23.338 11.366 6.614  H763 RH9 120 
RH9 H621 1H62 H 0 0 N N N 26.478 13.264 3.292  26.478 13.264 3.292  H621 RH9 121 
RH9 H622 2H62 H 0 0 N N N 26.667 13.626 5.066  26.667 13.626 5.065  H622 RH9 122 
RH9 H611 1H61 H 0 0 N N N 28.128 11.630 5.277  28.128 11.630 5.277  H611 RH9 123 
RH9 H612 2H61 H 0 0 N N N 28.011 11.395 3.485  28.011 11.395 3.485  H612 RH9 124 
RH9 H60  H60  H 0 1 N N N 29.082 13.871 4.889  29.082 13.871 4.889  H60  RH9 125 
RH9 H751 1H75 H 0 0 N N N 28.947 14.880 2.851  28.947 14.880 2.851  H751 RH9 126 
RH9 H752 2H75 H 0 0 N N N 29.840 13.524 2.083  29.840 13.524 2.083  H752 RH9 127 
RH9 H753 3H75 H 0 0 N N N 28.053 13.444 2.247  28.053 13.444 2.247  H753 RH9 128 
RH9 H59  H59  H 0 1 N N N 31.295 13.212 4.028  31.295 13.212 4.028  H59  RH9 129 
RH9 H581 1H58 H 0 0 N N N 30.173 10.413 3.575  30.173 10.413 3.575  H581 RH9 130 
RH9 H582 2H58 H 0 0 N N N 30.236 11.633 2.246  30.236 11.633 2.246  H582 RH9 131 
RH9 H741 1H74 H 0 0 N N N 30.983 12.605 7.557  30.983 12.605 7.557  H741 RH9 132 
RH9 H742 2H74 H 0 0 N N N 31.873 13.579 6.338  31.873 13.580 6.339  H742 RH9 133 
RH9 H743 3H74 H 0 0 N N N 30.093 13.757 6.505  30.093 13.757 6.505  H743 RH9 134 
RH9 H57  H57  H 0 1 N N N 32.356 10.681 4.013  32.356 10.681 4.013  H57  RH9 135 
RH9 H2C1 1H2C H 0 0 N N N 34.440 14.116 2.079  34.440 14.116 2.079  H2C1 RH9 136 
RH9 H2C2 2H2C H 0 0 N N N 34.106 14.849 3.678  34.106 14.849 3.678  H2C2 RH9 137 
RH9 H3   H3   H 0 1 N N N 36.155 13.622 4.605  36.155 13.622 4.605  H3   RH9 138 
RH9 HA   HA   H 0 1 N N N 36.587 13.075 1.857  36.587 13.075 1.857  HA   RH9 139 
RH9 H4C1 1H4C H 0 0 N N N 36.570 15.310 2.135  36.570 15.310 2.135  H4C1 RH9 140 
RH9 H4C2 2H4C H 0 0 N N N 36.280 15.890 3.850  36.280 15.890 3.850  H4C2 RH9 141 
RH9 H5   H5   H 0 1 N N N 38.680 14.142 3.127  38.681 14.142 3.127  H5   RH9 142 
RH9 H6   H6   H 0 1 N N N 38.520 16.099 5.460  38.520 16.099 5.460  H6   RH9 143 
RH9 H311 1H31 H 0 0 N N N 40.703 16.245 1.954  40.703 16.245 1.954  H311 RH9 144 
RH9 H312 2H31 H 0 0 N N N 40.526 17.143 3.499  40.526 17.143 3.499  H312 RH9 145 
RH9 H313 3H31 H 0 0 N N N 40.589 15.347 3.505  40.589 15.347 3.505  H313 RH9 146 
RH9 H7   H7   H 0 1 N N N 38.407 13.066 5.190  38.407 13.066 5.190  H7   RH9 147 
RH9 H8   H8   H 0 1 N N N 38.738 15.080 7.589  38.738 15.080 7.589  H8   RH9 148 
RH9 H9   H9   H 0 1 N N N 38.719 12.029 7.378  38.719 12.029 7.378  H9   RH9 149 
RH9 H101 1H10 H 0 0 N N N 39.995 12.737 9.617  39.995 12.737 9.617  H101 RH9 150 
RH9 H102 2H10 H 0 0 N N N 38.897 14.136 9.686  38.897 14.136 9.686  H102 RH9 151 
RH9 H11  H11  H 0 1 N N N 36.961 12.383 9.535  36.961 12.383 9.535  H11  RH9 152 
RH9 H321 1H32 H 0 0 N N N 37.043 11.910 13.135 37.043 11.910 13.135 H321 RH9 153 
RH9 H322 2H32 H 0 0 N N N 35.932 12.737 11.991 35.932 12.737 11.991 H322 RH9 154 
RH9 H323 3H32 H 0 0 N N N 36.531 11.084 11.624 36.531 11.084 11.625 H323 RH9 155 
RH9 H13  H13  H 0 1 N N N 36.325 10.431 8.765  36.325 10.431 8.765  H13  RH9 156 
RH9 H151 1H15 H 0 0 N N N 40.322 7.505  10.931 40.322 7.505  10.931 H151 RH9 157 
RH9 H152 2H15 H 0 0 N N N 39.134 6.521  10.053 39.134 6.521  10.053 H152 RH9 158 
RH9 H16  H16  H 0 1 N N N 41.235 8.306  8.782  41.235 8.306  8.782  H16  RH9 159 
RH9 HB   HB   H 0 1 N N N 39.010 7.011  7.910  39.010 7.011  7.910  HB   RH9 160 
RH9 H331 1H33 H 0 0 N N N 40.905 4.553  7.959  40.905 4.553  7.959  H331 RH9 161 
RH9 H332 2H33 H 0 0 N N N 41.701 4.196  9.530  41.701 4.196  9.530  H332 RH9 162 
RH9 H333 3H33 H 0 0 N N N 40.110 5.031  9.497  40.110 5.031  9.497  H333 RH9 163 
RH9 H341 1H34 H 0 0 N N N 43.753 6.596  9.766  43.753 6.596  9.766  H341 RH9 164 
RH9 H342 2H34 H 0 0 N N N 42.431 7.480  10.600 42.431 7.480  10.600 H342 RH9 165 
RH9 H343 3H34 H 0 0 N N N 42.626 5.711  10.849 42.626 5.711  10.849 H343 RH9 166 
RH9 H18  H18  H 0 1 N N N 41.988 6.165  6.790  41.988 6.165  6.790  H18  RH9 167 
RH9 H731 1H73 H 0 0 N N N 31.762 7.852  1.831  31.762 7.852  1.831  H731 RH9 168 
RH9 H732 2H73 H 0 0 N N N 32.558 8.066  3.427  32.558 8.066  3.427  H732 RH9 169 
RH9 H733 3H73 H 0 0 N N N 30.966 8.835  3.106  30.966 8.835  3.106  H733 RH9 170 
RH9 H721 1H72 H 0 0 N N N 31.038 10.079 0.721  31.038 10.079 0.721  H721 RH9 171 
RH9 H722 2H72 H 0 0 N N N 32.551 10.967 0.333  32.551 10.967 0.333  H722 RH9 172 
RH9 H723 3H72 H 0 0 N N N 32.462 9.191  0.079  32.462 9.191  0.079  H723 RH9 173 
RH9 H55  H55  H 0 1 N N N 34.579 10.635 1.837  34.579 10.635 1.837  H55  RH9 174 
RH9 HC   HC   H 0 1 N N N 34.591 8.334  3.531  34.591 8.334  3.531  HC   RH9 175 
RH9 H541 1H54 H 0 0 N N N 34.537 7.622  1.639  34.537 7.622  1.639  H541 RH9 176 
RH9 H542 2H54 H 0 0 N N N 34.346 8.788  0.238  34.346 8.788  0.238  H542 RH9 177 
RH9 H52  H52  H 0 1 N N N 39.480 7.959  1.570  39.480 7.959  1.570  H52  RH9 178 
RH9 H50  H50  H 0 1 N N N 40.362 9.521  0.212  40.362 9.521  0.212  H50  RH9 179 
RH9 H491 1H49 H 0 0 N N N 40.317 12.057 -0.269 40.317 12.057 -0.269 H491 RH9 180 
RH9 H492 2H49 H 0 0 N N N 38.514 11.961 0.045  38.514 11.961 0.045  H492 RH9 181 
RH9 H711 1H71 H 0 0 N N N 39.625 8.878  -3.235 39.625 8.878  -3.235 H711 RH9 182 
RH9 H712 2H71 H 0 0 N N N 40.521 8.345  -1.772 40.521 8.345  -1.772 H712 RH9 183 
RH9 H713 3H71 H 0 0 N N N 38.729 8.223  -1.823 38.729 8.223  -1.823 H713 RH9 184 
RH9 H48  H48  H 0 1 N N N 39.024 11.380 2.474  39.024 11.380 2.474  H48  RH9 185 
RH9 H47  H47  H 0 1 N N N 41.563 12.755 1.458  41.563 12.755 1.457  H47  RH9 186 
RH9 H46  H46  H 0 1 N N N 40.317 12.242 4.312  40.318 12.242 4.312  H46  RH9 187 
RH9 H45  H45  H 0 1 N N N 42.884 13.517 3.284  42.884 13.517 3.284  H45  RH9 188 
RH9 H44  H44  H 0 1 N N N 41.479 13.313 6.076  41.479 13.313 6.076  H44  RH9 189 
RH9 H431 1H43 H 0 0 N N N 44.217 12.265 5.534  44.217 12.265 5.534  H431 RH9 190 
RH9 H432 2H43 H 0 0 N N N 43.451 12.623 7.158  43.451 12.623 7.158  H432 RH9 191 
RH9 H701 1H70 H 0 0 N N N 42.241 14.859 7.481  42.241 14.859 7.481  H701 RH9 192 
RH9 H702 2H70 H 0 0 N N N 43.071 16.325 6.860  43.071 16.325 6.860  H702 RH9 193 
RH9 H703 3H70 H 0 0 N N N 41.411 15.928 6.301  41.411 15.929 6.301  H703 RH9 194 
RH9 H42  H42  H 0 1 N N N 42.268 10.718 5.116  42.268 10.719 5.115  H42  RH9 195 
RH9 HD   HD   H 0 1 N N N 41.838 10.855 7.941  41.838 10.855 7.941  HD   RH9 196 
RH9 H411 1H41 H 0 0 N N N 44.516 9.920  5.841  44.516 9.920  5.841  H411 RH9 197 
RH9 H412 2H41 H 0 0 N N N 43.994 10.110 7.575  43.994 10.110 7.575  H412 RH9 198 
RH9 H191 1H19 H 0 0 N N N 44.382 5.320  8.421  44.382 5.320  8.421  H191 RH9 199 
RH9 H192 2H19 H 0 0 N N N 43.276 4.301  7.410  43.276 4.301  7.410  H192 RH9 200 
RH9 H20  H20  H 0 1 N N N 44.989 6.592  6.259  44.989 6.592  6.259  H20  RH9 201 
RH9 H21  H21  H 0 1 N N N 46.443 4.883  5.338  46.443 4.883  5.338  H21  RH9 202 
RH9 H351 1H35 H 0 0 N N N 43.424 5.754  3.174  43.424 5.754  3.174  H351 RH9 203 
RH9 H352 2H35 H 0 0 N N N 44.802 6.623  3.929  44.803 6.623  3.929  H352 RH9 204 
RH9 H353 3H35 H 0 0 N N N 44.961 4.885  3.503  44.961 4.885  3.503  H353 RH9 205 
RH9 H361 1H36 H 0 0 N N N 47.819 5.261  7.141  47.819 5.261  7.141  H361 RH9 206 
RH9 H362 2H36 H 0 0 N N N 46.407 6.120  7.843  46.407 6.120  7.843  H362 RH9 207 
RH9 H363 3H36 H 0 0 N N N 46.714 4.401  8.266  46.714 4.401  8.266  H363 RH9 208 
RH9 H221 1H22 H 0 0 N N N 45.344 2.966  7.393  45.344 2.966  7.393  H221 RH9 209 
RH9 H222 2H22 H 0 0 N N N 44.874 2.967  5.639  44.874 2.967  5.639  H222 RH9 210 
RH9 H231 1H23 H 0 0 N N N 47.182 2.653  4.997  47.182 2.653  4.997  H231 RH9 211 
RH9 H232 2H23 H 0 0 N N N 47.663 2.677  6.767  47.662 2.677  6.767  H232 RH9 212 
RH9 H25  H25  H 0 1 N N N 48.778 0.634  5.703  48.778 0.634  5.703  H25  RH9 213 
RH9 H371 1H37 H 0 0 N N N 47.530 -0.023 3.702  47.530 -0.023 3.702  H371 RH9 214 
RH9 H372 2H37 H 0 0 N N N 48.413 -1.445 4.352  48.413 -1.445 4.352  H372 RH9 215 
RH9 H373 3H37 H 0 0 N N N 46.646 -1.280 4.631  46.646 -1.280 4.631  H373 RH9 216 
RH9 H26  H26  H 0 1 N N N 47.324 -1.685 7.025  47.324 -1.685 7.025  H26  RH9 217 
RH9 H271 1H27 H 0 0 N N N 49.638 -2.290 7.699  49.638 -2.290 7.699  H271 RH9 218 
RH9 H272 2H27 H 0 0 N N N 49.259 -2.378 5.902  49.259 -2.378 5.902  H272 RH9 219 
RH9 H381 1H38 H 0 0 N N N 48.078 -2.115 9.140  48.078 -2.115 9.140  H381 RH9 220 
RH9 H382 2H38 H 0 0 N N N 48.976 -0.837 10.027 48.977 -0.837 10.028 H382 RH9 221 
RH9 H383 3H38 H 0 0 N N N 47.180 -0.838 10.028 47.180 -0.838 10.028 H383 RH9 222 
RH9 H28  H28  H 0 1 N N N 50.980 -0.147 7.183  50.980 -0.147 7.183  H28  RH9 223 
RH9 H29  H29  H 0 1 N N N 50.965 -1.736 4.562  50.965 -1.736 4.562  H29  RH9 224 
RH9 H391 1H39 H 0 0 N N N 52.966 0.175  6.929  52.966 0.175  6.929  H391 RH9 225 
RH9 H392 2H39 H 0 0 N N N 53.811 1.062  5.615  53.811 1.062  5.615  H392 RH9 226 
RH9 H393 3H39 H 0 0 N N N 52.121 1.491  6.046  52.120 1.491  6.046  H393 RH9 227 
RH9 H30  H30  H 0 1 N N N 52.512 -1.169 3.152  52.512 -1.169 3.152  H30  RH9 228 
# 
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 
RH9 O69 C69  DOUB N N 1   
RH9 C69 N68  SING N N 2   
RH9 N68 C78  SING N N 3   
RH9 N68 C68  SING N N 4   
RH9 C68 C67  DOUB N N 5   
RH9 C67 C66  SING N N 6   
RH9 C66 C65  SING N N 7   
RH9 C65 O65  SING N N 8   
RH9 C65 C64  SING N E 9   
RH9 O65 C77  SING N N 10  
RH9 C64 C76  SING N N 11  
RH9 C64 C63  SING N N 12  
RH9 C63 O63  DOUB N N 13  
RH9 C63 C62  SING N N 14  
RH9 C62 C61  SING N N 15  
RH9 C61 C60  SING N N 16  
RH9 C60 C75  SING N N 17  
RH9 C60 C59  SING N N 18  
RH9 C59 O59  SING N N 19  
RH9 C59 C58  SING N N 20  
RH9 O59 C74  SING N N 21  
RH9 C58 C57  SING N N 22  
RH9 C57 O58  SING N N 23  
RH9 C57 C56  SING N N 24  
RH9 O58 C1   SING N N 25  
RH9 C1  O1   DOUB N N 26  
RH9 C1  C2   SING N N 27  
RH9 C2  C3   SING N N 28  
RH9 C3  O3   SING N N 29  
RH9 C3  C4   SING N N 30  
RH9 C4  C5   SING N N 31  
RH9 C5  O5   SING N N 32  
RH9 C5  C6   SING N N 33  
RH9 O5  C31  SING N N 34  
RH9 C6  C7   DOUB N N 35  
RH9 C7  C8   SING N N 36  
RH9 C8  C9   DOUB N N 37  
RH9 C9  C10  SING N N 38  
RH9 C10 C11  SING N N 39  
RH9 C11 O11  SING N N 40  
RH9 C11 C12  SING N N 41  
RH9 O11 C32  SING N N 42  
RH9 C12 N12  SING N N 43  
RH9 C12 C13  DOUB N N 44  
RH9 N12 C14  DOUB N N 45  
RH9 C13 O13  SING N N 46  
RH9 O13 C14  SING N N 47  
RH9 C14 C15  SING N N 48  
RH9 C15 C16  SING N N 49  
RH9 C16 O16  SING N N 50  
RH9 C16 C17  SING N N 51  
RH9 C17 C33  SING N N 52  
RH9 C17 C34  SING N N 53  
RH9 C17 C18  SING N N 54  
RH9 C56 C73  SING N N 55  
RH9 C56 C72  SING N N 56  
RH9 C56 C55  SING N N 57  
RH9 C55 O55  SING N N 58  
RH9 C55 C54  SING N N 59  
RH9 C54 C53  SING N N 60  
RH9 C53 O52  SING N N 61  
RH9 C53 N51  DOUB N N 62  
RH9 O52 C52  SING N N 63  
RH9 C52 C51  DOUB N N 64  
RH9 N51 C51  SING N N 65  
RH9 C51 C50  SING N N 66  
RH9 C50 O50  SING N N 67  
RH9 C50 C49  SING N N 68  
RH9 O50 C71  SING N N 69  
RH9 C49 C48  SING N N 70  
RH9 C48 C47  DOUB N N 71  
RH9 C47 C46  SING N N 72  
RH9 C46 C45  DOUB N N 73  
RH9 C45 C44  SING N N 74  
RH9 C44 O44  SING N N 75  
RH9 C44 C43  SING N E 76  
RH9 O44 C70  SING N N 77  
RH9 C43 C42  SING N N 78  
RH9 C42 O42  SING N N 79  
RH9 C42 C41  SING N E 80  
RH9 C41 C40  SING N N 81  
RH9 C40 O40  DOUB N N 82  
RH9 C40 O18  SING N N 83  
RH9 O18 C18  SING N N 84  
RH9 C18 C19  SING N N 85  
RH9 C19 C20  SING N N 86  
RH9 C20 O20  SING N N 87  
RH9 C20 C21  SING N N 88  
RH9 O20 C35  SING N N 89  
RH9 C21 C36  SING N N 90  
RH9 C21 C22  SING N N 91  
RH9 C22 C23  SING N N 92  
RH9 C23 C24  SING N N 93  
RH9 C24 O24  DOUB Y N 94  
RH9 C24 C25  SING Y N 95  
RH9 C25 C37  SING Y N 96  
RH9 C25 C26  SING Y N 97  
RH9 C26 O26  SING N N 98  
RH9 C26 C27  SING Y N 99  
RH9 O26 C38  SING N N 100 
RH9 C27 C28  SING N N 101 
RH9 C28 C29  DOUB N N 102 
RH9 C29 N29  SING N N 103 
RH9 N29 C39  SING N N 104 
RH9 N29 C30  SING N N 105 
RH9 C30 O30  DOUB N N 106 
RH9 C69 H69  SING N N 107 
RH9 C78 H781 SING N N 108 
RH9 C78 H782 SING N N 109 
RH9 C78 H783 SING N N 110 
RH9 C68 H68  SING N N 111 
RH9 C67 H67  SING N N 112 
RH9 C66 H661 SING N N 113 
RH9 C66 H662 SING N N 114 
RH9 C65 H65  SING N N 115 
RH9 C64 H64  SING N N 116 
RH9 C77 H771 SING N N 117 
RH9 C77 H772 SING N N 118 
RH9 C77 H773 SING N N 119 
RH9 C76 H761 SING N N 120 
RH9 C76 H762 SING N N 121 
RH9 C76 H763 SING N N 122 
RH9 C62 H621 SING N N 123 
RH9 C62 H622 SING N N 124 
RH9 C61 H611 SING N N 125 
RH9 C61 H612 SING N N 126 
RH9 C60 H60  SING N N 127 
RH9 C75 H751 SING N N 128 
RH9 C75 H752 SING N N 129 
RH9 C75 H753 SING N N 130 
RH9 C59 H59  SING N N 131 
RH9 C58 H581 SING N N 132 
RH9 C58 H582 SING Y N 133 
RH9 C74 H741 SING Y N 134 
RH9 C74 H742 SING Y N 135 
RH9 C74 H743 SING Y N 136 
RH9 C57 H57  SING N N 137 
RH9 C2  H2C1 SING Y N 138 
RH9 C2  H2C2 SING N N 139 
RH9 C3  H3   SING N N 140 
RH9 O3  HA   SING N N 141 
RH9 C4  H4C1 SING N N 142 
RH9 C4  H4C2 SING N N 143 
RH9 C5  H5   SING N N 144 
RH9 C6  H6   SING N N 145 
RH9 C31 H311 SING N N 146 
RH9 C31 H312 SING N N 147 
RH9 C31 H313 SING N N 148 
RH9 C7  H7   SING N N 149 
RH9 C8  H8   SING N E 150 
RH9 C9  H9   SING N N 151 
RH9 C10 H101 SING N N 152 
RH9 C10 H102 SING N N 153 
RH9 C11 H11  SING N E 154 
RH9 C32 H321 SING N N 155 
RH9 C32 H322 SING N N 156 
RH9 C32 H323 SING N N 157 
RH9 C13 H13  SING N N 158 
RH9 C15 H151 SING N N 159 
RH9 C15 H152 SING N N 160 
RH9 C16 H16  SING N N 161 
RH9 O16 HB   SING N N 162 
RH9 C33 H331 SING N N 163 
RH9 C33 H332 SING N N 164 
RH9 C33 H333 SING N N 165 
RH9 C34 H341 SING N N 166 
RH9 C34 H342 SING N N 167 
RH9 C34 H343 SING N N 168 
RH9 C18 H18  SING N N 169 
RH9 C73 H731 SING N N 170 
RH9 C73 H732 SING N N 171 
RH9 C73 H733 SING N N 172 
RH9 C72 H721 SING N N 173 
RH9 C72 H722 SING N N 174 
RH9 C72 H723 SING N N 175 
RH9 C55 H55  SING N N 176 
RH9 O55 HC   SING N N 177 
RH9 C54 H541 SING N N 178 
RH9 C54 H542 SING N N 179 
RH9 C52 H52  SING N N 180 
RH9 C50 H50  SING N N 181 
RH9 C49 H491 SING N N 182 
RH9 C49 H492 SING N N 183 
RH9 C71 H711 SING N N 184 
RH9 C71 H712 SING N N 185 
RH9 C71 H713 SING N N 186 
RH9 C48 H48  SING N N 187 
RH9 C47 H47  SING N N 188 
RH9 C46 H46  SING N N 189 
RH9 C45 H45  SING N N 190 
RH9 C44 H44  SING N N 191 
RH9 C43 H431 SING N N 192 
RH9 C43 H432 SING N N 193 
RH9 C70 H701 SING N N 194 
RH9 C70 H702 SING N N 195 
RH9 C70 H703 SING N N 196 
RH9 C42 H42  SING N N 197 
RH9 O42 HD   SING N N 198 
RH9 C41 H411 SING N N 199 
RH9 C41 H412 SING N N 200 
RH9 C19 H191 SING N N 201 
RH9 C19 H192 SING N N 202 
RH9 C20 H20  SING N N 203 
RH9 C21 H21  SING N N 204 
RH9 C35 H351 SING N N 205 
RH9 C35 H352 SING N N 206 
RH9 C35 H353 SING N N 207 
RH9 C36 H361 SING N N 208 
RH9 C36 H362 SING N N 209 
RH9 C36 H363 SING N N 210 
RH9 C22 H221 SING N N 211 
RH9 C22 H222 SING N N 212 
RH9 C23 H231 SING N N 213 
RH9 C23 H232 SING N N 214 
RH9 C25 H25  SING N N 215 
RH9 C37 H371 SING N N 216 
RH9 C37 H372 SING N N 217 
RH9 C37 H373 SING N N 218 
RH9 C26 H26  SING N N 219 
RH9 C27 H271 SING N E 220 
RH9 C27 H272 SING N N 221 
RH9 C38 H381 SING N N 222 
RH9 C38 H382 SING N N 223 
RH9 C38 H383 SING N N 224 
RH9 C28 H28  SING N N 225 
RH9 C29 H29  SING N N 226 
RH9 C39 H391 SING N N 227 
RH9 C39 H392 SING N N 228 
RH9 C39 H393 SING N N 229 
RH9 C30 H30  SING N N 230 
# 
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 
RH9 SMILES           ACDLabs              10.04 O=C(C(C)C(OC)C\C=C\N(C=O)C)CCC(C)C(OC)CC3OC(=O)CC(O)CC(OC)C=CC=CCC(OC)c1nc(oc1)CC(O)C(C)(C)C(OC(=O)CC(O)CC(OC)C=CC=CCC(OC)c2nc(oc2)CC(O)C3(C)C)CC(OC)C(C)CCC(=O)C(C)C(OC)C\C=C\N(C=O)C 
RH9 InChI            InChI                1.02b 
;InChI=1/C78H124N4O22/c1-51(33-35-61(87)53(3)63(95-13)31-25-37-81(9)49-83)67(99-17)43-71-77(5,6)69(89)45-73-79-59(47-101-73)65(97-15)29-23-20-22-28-58(94-12)40-56(86)42-76(92)104-72(44-68(100-18)52(2)34-36-62(88)54(4)64(96-14)32-26-38-82(10)50-84)78(7,8)70(90)46-74-80-60(48-102-74)66(98-16)30-24-19-21-27-57(93-11)39-55(85)41-75(91)103-71/h19-28,37-38,47-58,63-72,85-86,89-90H,29-36,39-46H2,1-18H3/b23-20+,24-19+,27-21+,28-22+,37-25+,38-26+/t51-,52-,53-,54-,55-,56-,57-,58-,63+,64+,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
;
RH9 InChIKey         InChI                1.02b MWDPPGCTEBRUNT-IKBNIWNCBF 
RH9 SMILES_CANONICAL CACTVS               3.341 
;CO[C@@H]\1C[C@H](O)CC(=O)O[C@@H](C[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)C(C)(C)[C@@H](O)Cc2occ(n2)[C@H](C\C=C\C=C\[C@@H](C[C@H](O)CC(=O)O[C@@H](C[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)C(C)(C)[C@@H](O)Cc3occ(n3)[C@H](C/C=C/C=C\1)OC)OC)OC
;
RH9 SMILES           CACTVS               3.341 
CO[CH]1C[CH](O)CC(=O)O[CH](C[CH](OC)[CH](C)CCC(=O)[CH](C)[CH](CC=CN(C)C=O)OC)C(C)(C)[CH](O)Cc2occ(n2)[CH](CC=CC=C[CH](C[CH](O)CC(=O)O[CH](C[CH](OC)[CH](C)CCC(=O)[CH](C)[CH](CC=CN(C)C=O)OC)C(C)(C)[CH](O)Cc3occ(n3)[CH](CC=CC=C1)OC)OC)OC 
RH9 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 
;C[C@@H](CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)[C@H](C[C@H]1C([C@H](Cc2nc(co2)[C@H](C\C=C\C=C\[C@@H](C[C@@H](CC(=O)O[C@H](C([C@H](Cc3nc(co3)[C@H](C\C=C\C=C\[C@@H](C[C@@H](CC(=O)O1)O)OC)OC)O)(C)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)OC)O)OC)OC)O)(C)C)OC
;
RH9 SMILES           "OpenEye OEToolkits" 1.5.0 CC(CCC(=O)C(C)C(CC=CN(C)C=O)OC)C(CC1C(C(Cc2nc(co2)C(CC=CC=CC(CC(CC(=O)OC(C(C(Cc3nc(co3)C(CC=CC=CC(CC(CC(=O)O1)O)OC)OC)O)(C)C)CC(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)O)OC)OC)O)(C)C)OC 
# 
_pdbx_chem_comp_identifier.comp_id           RH9 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           ACDLabs 
_pdbx_chem_comp_identifier.program_version   10.04 
_pdbx_chem_comp_identifier.identifier        
;N,N'-{[(3S,5S,9S,11R,12E,14E,17S,23S,25S,29S,31R,32E,34E,37S)-3,9,23,29-tetrahydroxy-11,17,31,37-tetramethoxy-4,4,24,24-tetramethyl-7,27-dioxo-6,20,26,40-tetraoxa-41,42-diazatricyclo[36.2.1.1~18,21~]dotetraconta-1(41),12,14,18,21(42),32,34,38-octaene-5,25-diyl]bis[(1E,4R,5R,9S,10S)-4,10-dimethoxy-5,9-dimethyl-6-oxoundec-1-ene-11,1-diyl]}bis(N-methylformamide)
;
# 
