data_PRDCC_900042
# 
_chem_comp.id                                    PRD_900042 
_chem_comp.name                                  gamma-cyclodextrin 
_chem_comp.type                                  saccharide 
_chem_comp.formula                               "C48 H80 O40" 
_chem_comp.pdbx_release_status                   REF_ONLY 
_chem_comp.formula_weight                        1297.125 
_chem_comp.pdbx_type                             ? 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    ? 
_chem_comp.pdbx_initial_date                     ? 
_chem_comp.pdbx_modified_date                    ? 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ? 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   ? 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   ? 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_pcm                              ? 
_chem_comp.pdbx_processing_site                  ? 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_residue_numbering 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_polymer_type 
_chem_comp_atom.pdbx_ref_id 
_chem_comp_atom.pdbx_component_id 
_chem_comp_atom.pdbx_ordinal 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
PRD_900042 C1H  C8  C 0 1 N N R -19.212 14.930 1.023  -19.212 14.930 1.023  GLC 1 C1  polymer 1 1 1   ? ? ? 
PRD_900042 C2H  C16 C 0 1 N N R -19.314 13.418 0.997  -19.314 13.418 0.997  GLC 1 C2  polymer 1 1 2   ? ? ? 
PRD_900042 C3H  C24 C 0 1 N N R -18.825 12.841 -0.333 -18.825 12.841 -0.333 GLC 1 C3  polymer 1 1 3   ? ? ? 
PRD_900042 C4H  C32 C 0 1 N N S -19.477 13.527 -1.538 -19.477 13.527 -1.538 GLC 1 C4  polymer 1 1 4   ? ? ? 
PRD_900042 C5H  C39 C 0 1 N N R -19.298 15.047 -1.423 -19.298 15.047 -1.423 GLC 1 C5  polymer 1 1 5   ? ? ? 
PRD_900042 C6H  C48 C 0 1 N N N -20.118 15.831 -2.420 -20.118 15.831 -2.420 GLC 1 C6  polymer 1 1 6   ? ? ? 
PRD_900042 O2H  O8  O 0 1 N N N -18.536 12.900 2.063  -18.536 12.900 2.063  GLC 1 O2  polymer 1 1 7   ? ? ? 
PRD_900042 O3H  O16 O 0 1 N N N -19.069 11.431 -0.350 -19.069 11.431 -0.350 GLC 1 O3  polymer 1 1 8   ? ? ? 
PRD_900042 O4H  O24 O 0 1 N N N -18.781 12.942 -2.668 -18.781 12.942 -2.668 GLC 1 O4  polymer 1 1 9   ? ? ? 
PRD_900042 O5H  O32 O 0 1 N N N -19.788 15.489 -0.133 -19.788 15.489 -0.133 GLC 1 O5  polymer 1 1 10  ? ? ? 
PRD_900042 O6H  O40 O 0 1 N N N -19.947 17.176 -2.092 -19.947 17.176 -2.092 GLC 1 O6  polymer 1 1 11  ? ? ? 
PRD_900042 C1G  C7  C 0 1 N N R -19.367 13.143 -3.939 -19.367 13.143 -3.939 GLC 2 C1  polymer 1 1 12  ? ? ? 
PRD_900042 C2G  C15 C 0 1 N N R -19.290 11.871 -4.801 -19.290 11.871 -4.801 GLC 2 C2  polymer 1 1 13  ? ? ? 
PRD_900042 C3G  C23 C 0 1 N N R -17.854 11.523 -5.153 -17.854 11.523 -5.153 GLC 2 C3  polymer 1 1 14  ? ? ? 
PRD_900042 C4G  C31 C 0 1 N N S -17.194 12.735 -5.760 -17.194 12.735 -5.760 GLC 2 C4  polymer 1 1 15  ? ? ? 
PRD_900042 C5G  C38 C 0 1 N N R -17.291 13.908 -4.807 -17.291 13.908 -4.807 GLC 2 C5  polymer 1 1 16  ? ? ? 
PRD_900042 C6G  C47 C 0 1 N N N -16.620 15.175 -5.351 -16.620 15.175 -5.351 GLC 2 C6  polymer 1 1 17  ? ? ? 
PRD_900042 O2G  O7  O 0 1 N N N -19.939 10.782 -4.150 -19.939 10.782 -4.150 GLC 2 O2  polymer 1 1 18  ? ? ? 
PRD_900042 O3G  O15 O 0 1 N N N -17.874 10.428 -6.083 -17.874 10.428 -6.083 GLC 2 O3  polymer 1 1 19  ? ? ? 
PRD_900042 O4G  O23 O 0 1 N N N -15.805 12.385 -5.998 -15.805 12.385 -5.998 GLC 2 O4  polymer 1 1 20  ? ? ? 
PRD_900042 O5G  O31 O 0 1 N N N -18.681 14.191 -4.602 -18.681 14.191 -4.602 GLC 2 O5  polymer 1 1 21  ? ? ? 
PRD_900042 O6G  O39 O 0 1 N N N -17.182 15.517 -6.627 -17.182 15.517 -6.627 GLC 2 O6  polymer 1 1 22  ? ? ? 
PRD_900042 C1F  C6  C 0 1 N N R -15.354 12.589 -7.363 -15.354 12.589 -7.363 GLC 3 C1  polymer 1 1 23  ? ? ? 
PRD_900042 C2F  C14 C 0 1 N N R -14.622 11.339 -7.809 -14.622 11.339 -7.809 GLC 3 C2  polymer 1 1 24  ? ? ? 
PRD_900042 C3F  C22 C 0 1 N N R -13.277 11.209 -7.093 -13.277 11.209 -7.093 GLC 3 C3  polymer 1 1 25  ? ? ? 
PRD_900042 C4F  C30 C 0 1 N N S -12.495 12.503 -7.194 -12.495 12.503 -7.194 GLC 3 C4  polymer 1 1 26  ? ? ? 
PRD_900042 C5F  C37 C 0 1 N N R -13.318 13.678 -6.728 -13.318 13.678 -6.728 GLC 3 C5  polymer 1 1 27  ? ? ? 
PRD_900042 C6F  C46 C 0 1 N N N -12.543 14.977 -6.982 -12.543 14.977 -6.982 GLC 3 C6  polymer 1 1 28  ? ? ? 
PRD_900042 O2F  O6  O 0 1 N N N -15.428 10.211 -7.528 -15.428 10.211 -7.528 GLC 3 O2  polymer 1 1 29  ? ? ? 
PRD_900042 O3F  O14 O 0 1 N N N -12.540 10.156 -7.721 -12.540 10.156 -7.721 GLC 3 O3  polymer 1 1 30  ? ? ? 
PRD_900042 O4F  O22 O 0 1 N N N -11.353 12.358 -6.319 -11.353 12.358 -6.319 GLC 3 O4  polymer 1 1 31  ? ? ? 
PRD_900042 O5F  O30 O 0 1 N N N -14.528 13.740 -7.464 -14.528 13.740 -7.464 GLC 3 O5  polymer 1 1 32  ? ? ? 
PRD_900042 O6F  O38 O 0 1 N N N -13.242 16.121 -6.411 -13.242 16.121 -6.411 GLC 3 O6  polymer 1 1 33  ? ? ? 
PRD_900042 C1E  C5  C 0 1 N N R -10.057 12.259 -6.975 -10.057 12.259 -6.975 GLC 4 C1  polymer 1 1 34  ? ? ? 
PRD_900042 C2E  C13 C 0 1 N N R -9.309  11.109 -6.363 -9.309  11.109 -6.363 GLC 4 C2  polymer 1 1 35  ? ? ? 
PRD_900042 C3E  C21 C 0 1 N N R -8.921  11.373 -4.917 -8.921  11.373 -4.917 GLC 4 C3  polymer 1 1 36  ? ? ? 
PRD_900042 C4E  C29 C 0 1 N N S -8.138  12.656 -4.874 -8.138  12.656 -4.874 GLC 4 C4  polymer 1 1 37  ? ? ? 
PRD_900042 C5E  C36 C 0 1 N N R -9.007  13.794 -5.451 -9.007  13.794 -5.451 GLC 4 C5  polymer 1 1 38  ? ? ? 
PRD_900042 C6E  C45 C 0 1 N N N -8.248  15.087 -5.488 -8.248  15.087 -5.488 GLC 4 C6  polymer 1 1 39  ? ? ? 
PRD_900042 O2E  O5  O 0 1 N N N -10.090 9.922  -6.487 -10.090 9.922  -6.487 GLC 4 O2  polymer 1 1 40  ? ? ? 
PRD_900042 O3E  O13 O 0 1 N N N -8.201  10.266 -4.359 -8.201  10.266 -4.359 GLC 4 O3  polymer 1 1 41  ? ? ? 
PRD_900042 O4E  O21 O 0 1 N N N -7.836  12.890 -3.484 -7.836  12.890 -3.484 GLC 4 O4  polymer 1 1 42  ? ? ? 
PRD_900042 O5E  O29 O 0 1 N N N -9.351  13.473 -6.800 -9.351  13.473 -6.800 GLC 4 O5  polymer 1 1 43  ? ? ? 
PRD_900042 O6E  O37 O 0 1 N N N -9.134  16.182 -5.682 -9.134  16.182 -5.682 GLC 4 O6  polymer 1 1 44  ? ? ? 
PRD_900042 C1D  C4  C 0 1 N N R -6.451  12.861 -3.218 -6.451  12.861 -3.218 GLC 5 C1  polymer 1 1 45  ? ? ? 
PRD_900042 C2D  C12 C 0 1 N N R -6.101  12.000 -1.981 -6.101  12.000 -1.981 GLC 5 C2  polymer 1 1 46  ? ? ? 
PRD_900042 C3D  C20 C 0 1 N N R -6.635  12.716 -0.734 -6.635  12.716 -0.734 GLC 5 C3  polymer 1 1 47  ? ? ? 
PRD_900042 C4D  C28 C 0 1 N N S -6.192  14.147 -0.674 -6.192  14.147 -0.674 GLC 5 C4  polymer 1 1 48  ? ? ? 
PRD_900042 C5D  C35 C 0 1 N N R -6.528  14.885 -1.947 -6.528  14.885 -1.947 GLC 5 C5  polymer 1 1 49  ? ? ? 
PRD_900042 C6D  C44 C 0 1 N N N -5.968  16.303 -2.009 -5.968  16.303 -2.009 GLC 5 C6  polymer 1 1 50  ? ? ? 
PRD_900042 O2D  O4  O 0 1 N N N -6.614  10.687 -2.103 -6.614  10.687 -2.103 GLC 5 O2  polymer 1 1 51  ? ? ? 
PRD_900042 O3D  O12 O 0 1 N N N -6.136  11.956 0.393  -6.136  11.956 0.393  GLC 5 O3  polymer 1 1 52  ? ? ? 
PRD_900042 O4D  O20 O 0 1 N N N -6.944  14.764 0.447  -6.944  14.764 0.447  GLC 5 O4  polymer 1 1 53  ? ? ? 
PRD_900042 O5D  O28 O 0 1 N N N -5.942  14.207 -3.057 -5.942  14.207 -3.057 GLC 5 O5  polymer 1 1 54  ? ? ? 
PRD_900042 O6D  O36 O 0 1 N N N -4.537  16.259 -1.860 -4.537  16.259 -1.860 GLC 5 O6  polymer 1 1 55  ? ? ? 
PRD_900042 C1C  C3  C 0 1 N N R -6.216  15.710 1.240  -6.216  15.710 1.240  GLC 6 C1  polymer 1 1 56  ? ? ? 
PRD_900042 C2C  C11 C 0 1 N N R -6.655  15.580 2.680  -6.655  15.580 2.680  GLC 6 C2  polymer 1 1 57  ? ? ? 
PRD_900042 C3C  C19 C 0 1 N N R -8.138  15.936 2.848  -8.138  15.936 2.848  GLC 6 C3  polymer 1 1 58  ? ? ? 
PRD_900042 C4C  C27 C 0 1 N N S -8.372  17.281 2.292  -8.372  17.281 2.292  GLC 6 C4  polymer 1 1 59  ? ? ? 
PRD_900042 C5C  C34 C 0 1 N N R -7.906  17.382 0.873  -7.906  17.382 0.873  GLC 6 C5  polymer 1 1 60  ? ? ? 
PRD_900042 C6C  C43 C 0 1 N N N -8.045  18.783 0.300  -8.045  18.783 0.300  GLC 6 C6  polymer 1 1 61  ? ? ? 
PRD_900042 O2C  O3  O 0 1 N N N -6.287  14.289 3.163  -6.287  14.289 3.163  GLC 6 O2  polymer 1 1 62  ? ? ? 
PRD_900042 O3C  O11 O 0 1 N N N -8.536  15.829 4.236  -8.536  15.829 4.236  GLC 6 O3  polymer 1 1 63  ? ? ? 
PRD_900042 O4C  O19 O 0 1 N N N -9.830  17.498 2.310  -9.830  17.498 2.310  GLC 6 O4  polymer 1 1 64  ? ? ? 
PRD_900042 O5C  O27 O 0 1 N N N -6.520  17.060 0.784  -6.520  17.060 0.784  GLC 6 O5  polymer 1 1 65  ? ? ? 
PRD_900042 O6C  O35 O 0 1 N N N -7.427  19.704 1.210  -7.427  19.704 1.210  GLC 6 O6  polymer 1 1 66  ? ? ? 
PRD_900042 C1B  C2  C 0 1 N N R -10.223 18.783 2.764  -10.223 18.783 2.764  GLC 7 C1  polymer 1 1 67  ? ? ? 
PRD_900042 C2B  C10 C 0 1 N N R -10.910 18.661 4.121  -10.910 18.661 4.121  GLC 7 C2  polymer 1 1 68  ? ? ? 
PRD_900042 C3B  C18 C 0 1 N N R -12.201 17.847 3.964  -12.201 17.847 3.964  GLC 7 C3  polymer 1 1 69  ? ? ? 
PRD_900042 C4B  C26 C 0 1 N N S -13.071 18.453 2.905  -13.071 18.453 2.905  GLC 7 C4  polymer 1 1 70  ? ? ? 
PRD_900042 C5B  C33 C 0 1 N N R -12.307 18.570 1.599  -12.307 18.570 1.599  GLC 7 C5  polymer 1 1 71  ? ? ? 
PRD_900042 C6B  C42 C 0 1 N N N -13.119 19.223 0.523  -13.119 19.223 0.523  GLC 7 C6  polymer 1 1 72  ? ? ? 
PRD_900042 O2B  O2  O 0 1 N N N -10.067 18.032 5.068  -10.067 18.032 5.068  GLC 7 O2  polymer 1 1 73  ? ? ? 
PRD_900042 O3B  O10 O 0 1 N N N -12.866 17.778 5.214  -12.866 17.778 5.214  GLC 7 O3  polymer 1 1 74  ? ? ? 
PRD_900042 O4B  O18 O 0 1 N N N -14.142 17.521 2.639  -14.142 17.521 2.639  GLC 7 O4  polymer 1 1 75  ? ? ? 
PRD_900042 O5B  O26 O 0 1 N N N -11.109 19.332 1.795  -11.109 19.332 1.795  GLC 7 O5  polymer 1 1 76  ? ? ? 
PRD_900042 O6B  O34 O 0 1 N N N -13.338 20.551 0.891  -13.338 20.551 0.891  GLC 7 O6  polymer 1 1 77  ? ? ? 
PRD_900042 C1A  C1  C 0 1 N N R -15.444 17.760 3.089  -15.444 17.760 3.089  GLC 8 C1  polymer 1 1 78  ? ? ? 
PRD_900042 C2A  C9  C 0 1 N N R -16.032 16.746 4.028  -16.032 16.746 4.028  GLC 8 C2  polymer 1 1 79  ? ? ? 
PRD_900042 C3A  C17 C 0 1 N N R -16.543 15.668 3.013  -16.543 15.668 3.013  GLC 8 C3  polymer 1 1 80  ? ? ? 
PRD_900042 C4A  C25 C 0 1 N N S -17.413 16.320 1.994  -17.413 16.320 1.994  GLC 8 C4  polymer 1 1 81  ? ? ? 
PRD_900042 C5M  C40 C 0 1 N N R -16.740 17.476 1.294  -16.740 17.476 1.294  GLC 8 C5  polymer 1 1 82  ? ? ? 
PRD_900042 C6A  C41 C 0 1 N N N -17.610 18.181 0.276  -17.610 18.181 0.276  GLC 8 C6  polymer 1 1 83  ? ? ? 
PRD_900042 O2A  O1  O 0 1 N N N -15.021 16.226 4.809  -15.021 16.226 4.809  GLC 8 O2  polymer 1 1 84  ? ? ? 
PRD_900042 O3A  O9  O 0 1 N N N -17.230 14.640 3.684  -17.230 14.640 3.684  GLC 8 O3  polymer 1 1 85  ? ? ? 
PRD_900042 O4A  O17 O 0 1 N N N -17.804 15.282 1.015  -17.804 15.282 1.015  GLC 8 O4  polymer 1 1 86  ? ? ? 
PRD_900042 O5A  O25 O 0 1 N N N -16.293 18.442 2.276  -16.293 18.442 2.276  GLC 8 O5  polymer 1 1 87  ? ? ? 
PRD_900042 O6A  O33 O 0 1 N N N -16.833 19.189 -0.373 -16.833 19.189 -0.373 GLC 8 O6  polymer 1 1 88  ? ? ? 
PRD_900042 H1H  H8  H 0 1 N N N -19.698 15.315 1.932  -19.698 15.315 1.932  GLC 1 H1  polymer 1 1 89  ? ? ? 
PRD_900042 H2H  H23 H 0 1 N N N -20.369 13.136 1.131  -20.369 13.135 1.131  GLC 1 H2  polymer 1 1 90  ? ? ? 
PRD_900042 H3H  H39 H 0 1 N N N -17.741 13.017 -0.395 -17.741 13.017 -0.395 GLC 1 H3  polymer 1 1 91  ? ? ? 
PRD_900042 H4H  H48 H 0 1 N N N -20.549 13.282 -1.569 -20.549 13.282 -1.569 GLC 1 H4  polymer 1 1 92  ? ? ? 
PRD_900042 H5H  H55 H 0 1 N N N -18.233 15.299 -1.539 -18.233 15.299 -1.539 GLC 1 H5  polymer 1 1 93  ? ? ? 
PRD_900042 H6H  H78 H 0 1 N N N -21.179 15.552 -2.344 -21.179 15.552 -2.344 GLC 1 H61 polymer 1 1 94  ? ? ? 
PRD_900042 H6HA H79 H 0 1 N N N -19.761 15.639 -3.442 -19.760 15.639 -3.443 GLC 1 H62 polymer 1 1 95  ? ? ? 
PRD_900042 HO2H H24 H 0 1 N N N -18.844 13.262 2.886  -18.844 13.262 2.885  GLC 1 HO2 polymer 1 1 96  ? ? ? 
PRD_900042 HO3H H40 H 0 1 N N N -18.656 11.029 0.405  -18.656 11.029 0.405  GLC 1 HO3 polymer 1 1 97  ? ? ? 
PRD_900042 HO6H H80 H 0 1 N N N -20.446 17.715 -2.694 -20.446 17.715 -2.694 GLC 1 HO6 polymer 1 1 98  ? ? ? 
PRD_900042 H1G  H7  H 0 1 N N N -20.427 13.411 -3.821 -20.427 13.411 -3.821 GLC 2 H1  polymer 1 1 99  ? ? ? 
PRD_900042 H2G  H21 H 0 1 N N N -19.818 12.083 -5.742 -19.818 12.083 -5.742 GLC 2 H2  polymer 1 1 100 ? ? ? 
PRD_900042 H3G  H37 H 0 1 N N N -17.317 11.236 -4.237 -17.317 11.236 -4.237 GLC 2 H3  polymer 1 1 101 ? ? ? 
PRD_900042 H4G  H47 H 0 1 N N N -17.692 12.990 -6.707 -17.692 12.990 -6.707 GLC 2 H4  polymer 1 1 102 ? ? ? 
PRD_900042 H5G  H54 H 0 1 N N N -16.815 13.636 -3.853 -16.815 13.636 -3.853 GLC 2 H5  polymer 1 1 103 ? ? ? 
PRD_900042 H6G  H75 H 0 1 N N N -15.541 14.996 -5.464 -15.541 14.996 -5.464 GLC 2 H61 polymer 1 1 104 ? ? ? 
PRD_900042 H6GA H76 H 0 1 N N N -16.782 16.004 -4.647 -16.782 16.004 -4.647 GLC 2 H62 polymer 1 1 105 ? ? ? 
PRD_900042 HO2G H22 H 0 1 N N N -20.833 11.025 -3.941 -20.833 11.025 -3.941 GLC 2 HO2 polymer 1 1 106 ? ? ? 
PRD_900042 HO3G H38 H 0 1 N N N -18.294 9.677  -5.680 -18.294 9.677  -5.680 GLC 2 HO3 polymer 1 1 107 ? ? ? 
PRD_900042 HO6G H77 H 0 1 N N N -16.762 16.302 -6.958 -16.762 16.302 -6.958 GLC 2 HO6 polymer 1 1 108 ? ? ? 
PRD_900042 H1F  H6  H 0 1 N N N -16.234 12.717 -8.011 -16.233 12.717 -8.011 GLC 3 H1  polymer 1 1 109 ? ? ? 
PRD_900042 H2F  H19 H 0 1 N N N -14.435 11.408 -8.891 -14.435 11.408 -8.891 GLC 3 H2  polymer 1 1 110 ? ? ? 
PRD_900042 H3F  H35 H 0 1 N N N -13.455 10.974 -6.033 -13.455 10.974 -6.033 GLC 3 H3  polymer 1 1 111 ? ? ? 
PRD_900042 H4F  H46 H 0 1 N N N -12.172 12.662 -8.233 -12.172 12.662 -8.233 GLC 3 H4  polymer 1 1 112 ? ? ? 
PRD_900042 H5F  H53 H 0 1 N N N -13.520 13.582 -5.651 -13.520 13.582 -5.651 GLC 3 H5  polymer 1 1 113 ? ? ? 
PRD_900042 H6F  H72 H 0 1 N N N -11.547 14.898 -6.522 -11.547 14.898 -6.522 GLC 3 H61 polymer 1 1 114 ? ? ? 
PRD_900042 H6FA H73 H 0 1 N N N -12.435 15.126 -8.067 -12.435 15.126 -8.067 GLC 3 H62 polymer 1 1 115 ? ? ? 
PRD_900042 HO2F H20 H 0 1 N N N -14.977 9.422  -7.804 -14.977 9.422  -7.805 GLC 3 HO2 polymer 1 1 116 ? ? ? 
PRD_900042 HO3F H36 H 0 1 N N N -11.699 10.058 -7.291 -11.699 10.058 -7.291 GLC 3 HO3 polymer 1 1 117 ? ? ? 
PRD_900042 HO6F H74 H 0 1 N N N -12.745 16.913 -6.580 -12.745 16.913 -6.580 GLC 3 HO6 polymer 1 1 118 ? ? ? 
PRD_900042 H1E  H5  H 0 1 N N N -10.203 12.058 -8.047 -10.203 12.058 -8.047 GLC 4 H1  polymer 1 1 119 ? ? ? 
PRD_900042 H2E  H17 H 0 1 N N N -8.378  10.977 -6.934 -8.378  10.977 -6.934 GLC 4 H2  polymer 1 1 120 ? ? ? 
PRD_900042 H3E  H33 H 0 1 N N N -9.847  11.521 -4.343 -9.847  11.521 -4.343 GLC 4 H3  polymer 1 1 121 ? ? ? 
PRD_900042 H4E  H45 H 0 1 N N N -7.217  12.558 -5.467 -7.217  12.558 -5.467 GLC 4 H4  polymer 1 1 122 ? ? ? 
PRD_900042 H5E  H52 H 0 1 N N N -9.910  13.909 -4.833 -9.910  13.909 -4.833 GLC 4 H5  polymer 1 1 123 ? ? ? 
PRD_900042 H6E  H69 H 0 1 N N N -7.523  15.057 -6.315 -7.523  15.057 -6.315 GLC 4 H61 polymer 1 1 124 ? ? ? 
PRD_900042 H6EA H70 H 0 1 N N N -7.713  15.219 -4.536 -7.713  15.219 -4.536 GLC 4 H62 polymer 1 1 125 ? ? ? 
PRD_900042 HO2E H18 H 0 1 N N N -9.621  9.192  -6.101 -9.621  9.192  -6.101 GLC 4 HO2 polymer 1 1 126 ? ? ? 
PRD_900042 HO3E H34 H 0 1 N N N -7.972  10.459 -3.457 -7.972  10.459 -3.457 GLC 4 HO3 polymer 1 1 127 ? ? ? 
PRD_900042 HO6E H71 H 0 1 N N N -8.638  16.992 -5.703 -8.638  16.992 -5.703 GLC 4 HO6 polymer 1 1 128 ? ? ? 
PRD_900042 H1D  H4  H 0 1 N N N -5.940  12.405 -4.078 -5.940  12.405 -4.078 GLC 5 H1  polymer 1 1 129 ? ? ? 
PRD_900042 H2D  H15 H 0 1 N N N -5.005  11.958 -1.902 -5.005  11.958 -1.902 GLC 5 H2  polymer 1 1 130 ? ? ? 
PRD_900042 H3D  H31 H 0 1 N N N -7.734  12.680 -0.751 -7.734  12.680 -0.751 GLC 5 H3  polymer 1 1 131 ? ? ? 
PRD_900042 H4D  H44 H 0 1 N N N -5.110  14.200 -0.483 -5.110  14.200 -0.483 GLC 5 H4  polymer 1 1 132 ? ? ? 
PRD_900042 H5D  H51 H 0 1 N N N -7.621  14.928 -2.061 -7.621  14.928 -2.061 GLC 5 H5  polymer 1 1 133 ? ? ? 
PRD_900042 H6D  H66 H 0 1 N N N -6.222  16.756 -2.979 -6.222  16.756 -2.979 GLC 5 H61 polymer 1 1 134 ? ? ? 
PRD_900042 H6DA H67 H 0 1 N N N -6.403  16.905 -1.198 -6.403  16.905 -1.198 GLC 5 H62 polymer 1 1 135 ? ? ? 
PRD_900042 HO2D H16 H 0 1 N N N -6.384  10.184 -1.331 -6.384  10.184 -1.331 GLC 5 HO2 polymer 1 1 136 ? ? ? 
PRD_900042 HO3D H32 H 0 1 N N N -6.436  12.354 1.202  -6.436  12.354 1.202  GLC 5 HO3 polymer 1 1 137 ? ? ? 
PRD_900042 HO6D H68 H 0 1 N N N -4.187  17.141 -1.898 -4.187  17.141 -1.898 GLC 5 HO6 polymer 1 1 138 ? ? ? 
PRD_900042 H1C  H3  H 0 1 N N N -5.135  15.521 1.169  -5.135  15.521 1.169  GLC 6 H1  polymer 1 1 139 ? ? ? 
PRD_900042 H2C  H13 H 0 1 N N N -6.087  16.328 3.253  -6.087  16.328 3.253  GLC 6 H2  polymer 1 1 140 ? ? ? 
PRD_900042 H3C  H29 H 0 1 N N N -8.721  15.213 2.259  -8.721  15.213 2.259  GLC 6 H3  polymer 1 1 141 ? ? ? 
PRD_900042 H4C  H43 H 0 1 N N N -7.867  18.040 2.907  -7.867  18.040 2.907  GLC 6 H4  polymer 1 1 142 ? ? ? 
PRD_900042 H5C  H50 H 0 1 N N N -8.493  16.688 0.253  -8.493  16.688 0.254  GLC 6 H5  polymer 1 1 143 ? ? ? 
PRD_900042 H6C  H63 H 0 1 N N N -7.546  18.836 -0.679 -7.546  18.836 -0.679 GLC 6 H61 polymer 1 1 144 ? ? ? 
PRD_900042 H6CA H64 H 0 1 N N N -9.110  19.033 0.183  -9.110  19.033 0.183  GLC 6 H62 polymer 1 1 145 ? ? ? 
PRD_900042 HO2C H14 H 0 1 N N N -6.560  14.200 4.069  -6.560  14.200 4.069  GLC 6 HO2 polymer 1 1 146 ? ? ? 
PRD_900042 HO3C H30 H 0 1 N N N -8.366  14.948 4.548  -8.366  14.948 4.548  GLC 6 HO3 polymer 1 1 147 ? ? ? 
PRD_900042 HO6C H65 H 0 1 N N N -7.504  20.587 0.868  -7.504  20.587 0.868  GLC 6 HO6 polymer 1 1 148 ? ? ? 
PRD_900042 H1B  H2  H 0 1 N N N -9.340  19.430 2.875  -9.340  19.430 2.875  GLC 7 H1  polymer 1 1 149 ? ? ? 
PRD_900042 H2B  H11 H 0 1 N N N -11.177 19.670 4.468  -11.177 19.670 4.468  GLC 7 H2  polymer 1 1 150 ? ? ? 
PRD_900042 H3B  H27 H 0 1 N N N -11.923 16.832 3.643  -11.923 16.833 3.643  GLC 7 H3  polymer 1 1 151 ? ? ? 
PRD_900042 H4B  H42 H 0 1 N N N -13.452 19.435 3.222  -13.452 19.435 3.222  GLC 7 H4  polymer 1 1 152 ? ? ? 
PRD_900042 H5B  H49 H 0 1 N N N -12.041 17.556 1.266  -12.041 17.556 1.266  GLC 7 H5  polymer 1 1 153 ? ? ? 
PRD_900042 H6BA H61 H 0 1 N N N -12.573 19.186 -0.431 -12.573 19.186 -0.431 GLC 7 H61 polymer 1 1 154 ? ? ? 
PRD_900042 H6B  H60 H 0 1 N N N -14.082 18.702 0.415  -14.082 18.702 0.415  GLC 7 H62 polymer 1 1 155 ? ? ? 
PRD_900042 HO2B H12 H 0 1 N N N -10.518 17.969 5.902  -10.518 17.969 5.902  GLC 7 HO2 polymer 1 1 156 ? ? ? 
PRD_900042 HO3B H28 H 0 1 N N N -12.287 17.390 5.860  -12.288 17.390 5.860  GLC 7 HO3 polymer 1 1 157 ? ? ? 
PRD_900042 HO6B H62 H 0 1 N N N -13.853 20.985 0.221  -13.853 20.985 0.221  GLC 7 HO6 polymer 1 1 158 ? ? ? 
PRD_900042 H1A  H1  H 0 1 N N N -15.229 18.551 3.823  -15.229 18.551 3.823  GLC 8 H1  polymer 1 1 159 ? ? ? 
PRD_900042 H2A  H9  H 0 1 N N N -16.869 17.164 4.607  -16.868 17.164 4.607  GLC 8 H2  polymer 1 1 160 ? ? ? 
PRD_900042 H3A  H25 H 0 1 N N N -15.663 15.251 2.503  -15.663 15.250 2.503  GLC 8 H3  polymer 1 1 161 ? ? ? 
PRD_900042 H4A  H41 H 0 1 N N N -18.319 16.696 2.493  -18.319 16.696 2.493  GLC 8 H4  polymer 1 1 162 ? ? ? 
PRD_900042 H5M  H56 H 0 1 N N N -15.860 17.081 0.766  -15.859 17.081 0.766  GLC 8 H5  polymer 1 1 163 ? ? ? 
PRD_900042 H6A  H57 H 0 1 N N N -18.469 18.645 0.782  -18.469 18.645 0.782  GLC 8 H61 polymer 1 1 164 ? ? ? 
PRD_900042 H6AA H58 H 0 1 N N N -17.971 17.456 -0.468 -17.971 17.456 -0.468 GLC 8 H62 polymer 1 1 165 ? ? ? 
PRD_900042 HO2A H10 H 0 1 N N N -14.720 16.888 5.420  -14.720 16.888 5.420  GLC 8 HO2 polymer 1 1 166 ? ? ? 
PRD_900042 HO3A H26 H 0 1 N N N -16.655 14.241 4.327  -16.655 14.241 4.327  GLC 8 HO3 polymer 1 1 167 ? ? ? 
PRD_900042 HO6A H59 H 0 1 N N N -17.370 19.639 -1.015 -17.370 19.639 -1.015 GLC 8 HO6 polymer 1 1 168 ? ? ? 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
PRD_900042 C2F O2F  SING N N 1   
PRD_900042 C2F C1F  SING N N 2   
PRD_900042 C2F C3F  SING N N 3   
PRD_900042 O3F C3F  SING N N 4   
PRD_900042 O5F C1F  SING N N 5   
PRD_900042 O5F C5F  SING N N 6   
PRD_900042 C1F O4G  SING N N 7   
PRD_900042 C4F C3F  SING N N 8   
PRD_900042 C4F C5F  SING N N 9   
PRD_900042 C4F O4F  SING N N 10  
PRD_900042 C6F C5F  SING N N 11  
PRD_900042 C6F O6F  SING N N 12  
PRD_900042 C1E O5E  SING N N 13  
PRD_900042 C1E C2E  SING N N 14  
PRD_900042 C1E O4F  SING N N 15  
PRD_900042 O5E C5E  SING N N 16  
PRD_900042 O6G C6G  SING N N 17  
PRD_900042 O2E C2E  SING N N 18  
PRD_900042 C2E C3E  SING N N 19  
PRD_900042 O3G C3G  SING N N 20  
PRD_900042 O4G C4G  SING N N 21  
PRD_900042 C4G C3G  SING N N 22  
PRD_900042 C4G C5G  SING N N 23  
PRD_900042 O6E C6E  SING N N 24  
PRD_900042 C6E C5E  SING N N 25  
PRD_900042 C5E C4E  SING N N 26  
PRD_900042 C6G C5G  SING N N 27  
PRD_900042 C3G C2G  SING N N 28  
PRD_900042 C3E C4E  SING N N 29  
PRD_900042 C3E O3E  SING N N 30  
PRD_900042 C4E O4E  SING N N 31  
PRD_900042 C5G O5G  SING N N 32  
PRD_900042 C2G O2G  SING N N 33  
PRD_900042 C2G C1G  SING N N 34  
PRD_900042 O5G C1G  SING N N 35  
PRD_900042 C1G O4H  SING N N 36  
PRD_900042 O4E C1D  SING N N 37  
PRD_900042 C1D O5D  SING N N 38  
PRD_900042 C1D C2D  SING N N 39  
PRD_900042 O5D C5D  SING N N 40  
PRD_900042 O4H C4H  SING N N 41  
PRD_900042 C6H O6H  SING N N 42  
PRD_900042 C6H C5H  SING N N 43  
PRD_900042 O2D C2D  SING N N 44  
PRD_900042 C6D C5D  SING N N 45  
PRD_900042 C6D O6D  SING N N 46  
PRD_900042 C2D C3D  SING N N 47  
PRD_900042 C5D C4D  SING N N 48  
PRD_900042 C4H C5H  SING N N 49  
PRD_900042 C4H C3H  SING N N 50  
PRD_900042 C5H O5H  SING N N 51  
PRD_900042 C3D C4D  SING N N 52  
PRD_900042 C3D O3D  SING N N 53  
PRD_900042 C4D O4D  SING N N 54  
PRD_900042 O6A C6A  SING N N 55  
PRD_900042 O3H C3H  SING N N 56  
PRD_900042 C3H C2H  SING N N 57  
PRD_900042 O5H C1H  SING N N 58  
PRD_900042 C6A C5M  SING N N 59  
PRD_900042 C6C C5C  SING N N 60  
PRD_900042 C6C O6C  SING N N 61  
PRD_900042 O4D C1C  SING N N 62  
PRD_900042 C6B O6B  SING N N 63  
PRD_900042 C6B C5B  SING N N 64  
PRD_900042 O5C C5C  SING N N 65  
PRD_900042 O5C C1C  SING N N 66  
PRD_900042 C5C C4C  SING N N 67  
PRD_900042 C2H C1H  SING N N 68  
PRD_900042 C2H O2H  SING N N 69  
PRD_900042 O4A C1H  SING N N 70  
PRD_900042 O4A C4A  SING N N 71  
PRD_900042 C1C C2C  SING N N 72  
PRD_900042 C5M C4A  SING N N 73  
PRD_900042 C5M O5A  SING N N 74  
PRD_900042 C5B O5B  SING N N 75  
PRD_900042 C5B C4B  SING N N 76  
PRD_900042 O5B C1B  SING N N 77  
PRD_900042 C4A C3A  SING N N 78  
PRD_900042 O5A C1A  SING N N 79  
PRD_900042 C4C O4C  SING N N 80  
PRD_900042 C4C C3C  SING N N 81  
PRD_900042 O4C C1B  SING N N 82  
PRD_900042 O4B C4B  SING N N 83  
PRD_900042 O4B C1A  SING N N 84  
PRD_900042 C2C C3C  SING N N 85  
PRD_900042 C2C O2C  SING N N 86  
PRD_900042 C1B C2B  SING N N 87  
PRD_900042 C3C O3C  SING N N 88  
PRD_900042 C4B C3B  SING N N 89  
PRD_900042 C3A O3A  SING N N 90  
PRD_900042 C3A C2A  SING N N 91  
PRD_900042 C1A C2A  SING N N 92  
PRD_900042 C3B C2B  SING N N 93  
PRD_900042 C3B O3B  SING N N 94  
PRD_900042 C2A O2A  SING N N 95  
PRD_900042 C2B O2B  SING N N 96  
PRD_900042 C1A H1A  SING N N 97  
PRD_900042 C1B H1B  SING N N 98  
PRD_900042 C1C H1C  SING N N 99  
PRD_900042 C1D H1D  SING N N 100 
PRD_900042 C1E H1E  SING N N 101 
PRD_900042 C1F H1F  SING N N 102 
PRD_900042 C1G H1G  SING N N 103 
PRD_900042 C1H H1H  SING N N 104 
PRD_900042 C2A H2A  SING N N 105 
PRD_900042 O2A HO2A SING N N 106 
PRD_900042 C2B H2B  SING N N 107 
PRD_900042 O2B HO2B SING N N 108 
PRD_900042 C2C H2C  SING N N 109 
PRD_900042 O2C HO2C SING N N 110 
PRD_900042 C2D H2D  SING N N 111 
PRD_900042 O2D HO2D SING N N 112 
PRD_900042 C2E H2E  SING N N 113 
PRD_900042 O2E HO2E SING N N 114 
PRD_900042 C2F H2F  SING N N 115 
PRD_900042 O2F HO2F SING N N 116 
PRD_900042 C2G H2G  SING N N 117 
PRD_900042 O2G HO2G SING N N 118 
PRD_900042 C2H H2H  SING N N 119 
PRD_900042 O2H HO2H SING N N 120 
PRD_900042 C3A H3A  SING N N 121 
PRD_900042 O3A HO3A SING N N 122 
PRD_900042 C3B H3B  SING N N 123 
PRD_900042 O3B HO3B SING N N 124 
PRD_900042 C3C H3C  SING N N 125 
PRD_900042 O3C HO3C SING N N 126 
PRD_900042 C3D H3D  SING N N 127 
PRD_900042 O3D HO3D SING N N 128 
PRD_900042 C3E H3E  SING N N 129 
PRD_900042 O3E HO3E SING N N 130 
PRD_900042 C3F H3F  SING N N 131 
PRD_900042 O3F HO3F SING N N 132 
PRD_900042 C3G H3G  SING N N 133 
PRD_900042 O3G HO3G SING N N 134 
PRD_900042 C3H H3H  SING N N 135 
PRD_900042 O3H HO3H SING N N 136 
PRD_900042 C4A H4A  SING N N 137 
PRD_900042 C4B H4B  SING N N 138 
PRD_900042 C4C H4C  SING N N 139 
PRD_900042 C4D H4D  SING N N 140 
PRD_900042 C4E H4E  SING N N 141 
PRD_900042 C4F H4F  SING N N 142 
PRD_900042 C4G H4G  SING N N 143 
PRD_900042 C4H H4H  SING N N 144 
PRD_900042 C5B H5B  SING N N 145 
PRD_900042 C5C H5C  SING N N 146 
PRD_900042 C5D H5D  SING N N 147 
PRD_900042 C5E H5E  SING N N 148 
PRD_900042 C5F H5F  SING N N 149 
PRD_900042 C5G H5G  SING N N 150 
PRD_900042 C5H H5H  SING N N 151 
PRD_900042 C5M H5M  SING N N 152 
PRD_900042 C6A H6A  SING N N 153 
PRD_900042 C6A H6AA SING N N 154 
PRD_900042 O6A HO6A SING N N 155 
PRD_900042 C6B H6B  SING N N 156 
PRD_900042 C6B H6BA SING N N 157 
PRD_900042 O6B HO6B SING N N 158 
PRD_900042 C6C H6C  SING N N 159 
PRD_900042 C6C H6CA SING N N 160 
PRD_900042 O6C HO6C SING N N 161 
PRD_900042 C6D H6D  SING N N 162 
PRD_900042 C6D H6DA SING N N 163 
PRD_900042 O6D HO6D SING N N 164 
PRD_900042 C6E H6E  SING N N 165 
PRD_900042 C6E H6EA SING N N 166 
PRD_900042 O6E HO6E SING N N 167 
PRD_900042 C6F H6F  SING N N 168 
PRD_900042 C6F H6FA SING N N 169 
PRD_900042 O6F HO6F SING N N 170 
PRD_900042 C6G H6G  SING N N 171 
PRD_900042 C6G H6GA SING N N 172 
PRD_900042 O6G HO6G SING N N 173 
PRD_900042 C6H H6H  SING N N 174 
PRD_900042 C6H H6HA SING N N 175 
PRD_900042 O6H HO6H SING N N 176 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
PRD_900042 SMILES           ACDLabs              12.01 
;C69C(O)C(O)C(OC1C(O)C(O)C(C(O1)CO)OC2C(O)C(O)C(C(O2)CO)OC3C(O)C(O)C(C(O3)CO)OC4OC(C(C(C4O)O)OC5OC(C(C(C5O)O)OC8C(C(O)C(
 OC7C(O)C(O)C(O6)C(O7)CO)C(O8)CO)O)CO)CO)C(O9)CO
;
PRD_900042 InChI            InChI                1.03  
;InChI=1S/C48H80O40/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61

)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)

76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-72H,1-8H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,2

0-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1

;
PRD_900042 InChIKey         InChI                1.03  GDSRMADSINPKSL-HSEONFRVSA-N                                                                                                                                                                                                                                                                                                                                                                                                                                                                              
PRD_900042 SMILES_CANONICAL CACTVS               3.385 
;OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H]

(O)[C@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CO)O[C@H]8[C@H](O)[C@
 @H](O)[C@H](O[C@@H]8CO)O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@@H]9CO)O[C@H]1[C@H](O)[C@H]2O
;
PRD_900042 SMILES           CACTVS               3.385 
;OC[CH]1O[CH]2O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O[CH]5CO)O[CH

]6[CH](O)[CH](O)[CH](O[CH]6CO)O[CH]7[CH](O)[CH](O)[CH](O[CH]7CO)O[CH]8[CH](O)[CH](O)[CH](O[CH]8CO)O[CH]9[CH](O)[CH](O)[C
 H](O[CH]9CO)O[CH]1[CH](O)[CH]2O
;
PRD_900042 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 
;C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C

@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H
 ]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O
;
PRD_900042 SMILES           "OpenEye OEToolkits" 2.0.7 
;C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(
 O2)C(C9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O
;
# 
_pdbx_chem_comp_identifier.comp_id           PRD_900042 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           ACDLabs 
_pdbx_chem_comp_identifier.program_version   12.01 
_pdbx_chem_comp_identifier.identifier        
;(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R

,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,3

4,37,39-hexadecaoxanonacyclo[36.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~.2~33,36~]hexapentacontane-41,42,4
 3,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol (non-preferred name)
;
# 
