data_15P
# 
_chem_comp.id                                    15P 
_chem_comp.name                                  "POLYETHYLENE GLYCOL (N=34)" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C69 H140 O35" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "PEG 1500" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-11-17 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        1529.829 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     15P 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        "OpenEye OEToolkits" 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1DBW 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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 
15P OXT  OXT  O 0 1 N N N ?     ?      ?      -44.036 -36.719 -17.368 OXT  15P 1   
15P C1   C1   C 0 1 N N N ?     ?      ?      -42.717 -36.285 -17.679 C1   15P 2   
15P C2   C2   C 0 1 N N N 2.979 -4.308 8.285  -41.902 -36.226 -16.402 C2   15P 3   
15P O1   O1   O 0 1 N N N 1.571 -4.118 8.380  -42.502 -35.294 -15.511 O1   15P 4   
15P C3   C3   C 0 1 N N N 3.790 -3.480 9.290  -41.777 -35.197 -14.293 C3   15P 5   
15P C4   C4   C 0 1 N N N ?     ?      ?      -42.450 -34.175 -13.396 C4   15P 6   
15P O2   O2   O 0 1 N N N ?     ?      ?      -42.441 -32.910 -14.047 O2   15P 7   
15P C5   C5   C 0 1 N N N 4.689 -1.214 9.470  -43.060 -31.911 -13.249 C5   15P 8   
15P C6   C6   C 0 1 N N N 4.524 0.086  8.673  -42.999 -30.585 -13.983 C6   15P 9   
15P O3   O3   O 0 1 N N N ?     ?      ?      -41.637 -30.234 -14.196 O3   15P 10  
15P C7   C7   C 0 1 N N N ?     ?      ?      -41.520 -28.996 -14.881 C7   15P 11  
15P C8   C8   C 0 1 N N N 4.846 0.482  6.263  -40.050 -28.665 -15.058 C8   15P 12  
15P O4   O4   O 0 1 N N N 3.571 -2.044 9.111  -39.444 -28.549 -13.776 O4   15P 13  
15P C9   C9   C 0 1 N N N 3.757 -0.406 5.694  -38.061 -28.239 -13.881 C9   15P 14  
15P C10  C10  C 0 1 N N N ?     ?      ?      -37.477 -28.105 -12.488 C10  15P 15  
15P O5   O5   O 0 1 N N N ?     ?      ?      -38.142 -27.049 -11.805 O5   15P 16  
15P C11  C11  C 0 1 N N N 3.449 -2.632 5.013  -37.634 -26.878 -10.490 C11  15P 17  
15P C12  C12  C 0 1 N N N 4.078 -3.889 4.458  -38.363 -25.727 -9.823  C12  15P 18  
15P O6   O6   O 0 1 N N N ?     ?      ?      -38.135 -24.538 -10.571 O6   15P 19  
15P C13  C13  C 0 1 N N N ?     ?      ?      -38.797 -23.423 -9.990  C13  15P 20  
15P C14  C14  C 0 1 N N N 5.368 -5.742 5.209  -38.498 -22.186 -10.814 C14  15P 21  
15P O7   O7   O 0 1 N N N 5.327 -0.118 7.493  -37.095 -21.952 -10.808 O7   15P 22  
15P C15  C15  C 0 1 N N N 6.179 -6.263 6.378  -36.756 -20.800 -11.568 C15  15P 23  
15P C16  C16  C 0 1 N N N ?     ?      ?      -35.255 -20.589 -11.504 C16  15P 24  
15P O8   O8   O 0 1 N N N ?     ?      ?      -34.873 -20.384 -10.149 O8   15P 25  
15P C17  C17  C 0 1 N N N 4.453 -7.522 7.581  -33.472 -20.180 -10.029 C17  15P 26  
15P C18  C18  C 0 1 N N N 4.222 -7.869 9.054  -33.129 -19.945 -8.571  C18  15P 27  
15P O9   O9   O 0 1 N N N ?     ?      ?      -33.811 -18.782 -8.116  O9   15P 28  
15P C19  C19  C 0 1 N N N ?     ?      ?      -33.526 -18.512 -6.751  C19  15P 29  
15P C20  C20  C 0 1 N N N ?     ?      ?      -34.260 -17.253 -6.331  C20  15P 30  
15P O10  O10  O 0 1 N N N 4.413 -1.580 5.154  -33.806 -16.165 -7.127  O10  15P 31  
15P C21  C21  C 0 1 N N N ?     ?      ?      -34.462 -14.954 -6.777  C21  15P 32  
15P C22  C22  C 0 1 N N N ?     ?      ?      -33.921 -13.831 -7.639  C22  15P 33  
15P O11  O11  O 0 1 N N N ?     ?      ?      -32.526 -13.692 -7.400  O11  15P 34  
15P C23  C23  C 0 1 N N N ?     ?      ?      -31.964 -12.649 -8.185  C23  15P 35  
15P C24  C24  C 0 1 N N N ?     ?      ?      -30.485 -12.534 -7.870  C24  15P 36  
15P O12  O12  O 0 1 N N N ?     ?      ?      -30.328 -12.219 -6.492  O12  15P 37  
15P C25  C25  C 0 1 N N N ?     ?      ?      -28.957 -12.098 -6.139  C25  15P 38  
15P C26  C26  C 0 1 N N N ?     ?      ?      -28.853 -11.739 -4.670  C26  15P 39  
15P O13  O13  O 0 1 N N N 4.735 -4.489 5.582  -29.503 -10.493 -4.450  O13  15P 40  
15P C27  C27  C 0 1 N N N ?     ?      ?      -29.438 -10.105 -3.085  C27  15P 41  
15P C28  C28  C 0 1 N N N ?     ?      ?      -30.124 -8.763  -2.918  C28  15P 42  
15P O14  O14  O 0 1 N N N ?     ?      ?      -29.449 -7.794  -3.712  O14  15P 43  
15P C29  C29  C 0 1 N N N ?     ?      ?      -30.051 -6.513  -3.594  C29  15P 44  
15P C30  C30  C 0 1 N N N ?     ?      ?      -29.276 -5.522  -4.441  C30  15P 45  
15P O15  O15  O 0 1 N N N ?     ?      ?      -27.937 -5.454  -3.967  O15  15P 46  
15P C31  C31  C 0 1 N N N ?     ?      ?      -27.162 -4.537  -4.726  C31  15P 47  
15P C32  C32  C 0 1 N N N ?     ?      ?      -25.755 -4.491  -4.160  C32  15P 48  
15P O16  O16  O 0 1 N N N 5.381 -6.446 7.612  -25.813 -4.047  -2.810  O16  15P 49  
15P C33  C33  C 0 1 N N N ?     ?      ?      -24.519 -3.984  -2.227  C33  15P 50  
15P C34  C34  C 0 1 N N N ?     ?      ?      -24.642 -3.485  -0.801  C34  15P 51  
15P O17  O17  O 0 1 N N N ?     ?      ?      -25.213 -2.182  -0.813  O17  15P 52  
15P C35  C35  C 0 1 N N N ?     ?      ?      -25.352 -1.662  0.502   C35  15P 53  
15P C36  C36  C 0 1 N N N ?     ?      ?      -25.963 -0.276  0.424   C36  15P 54  
15P O18  O18  O 0 1 N N N ?     ?      ?      -25.099 0.571   -0.324  O18  15P 55  
15P C37  C37  C 0 1 N N N ?     ?      ?      -25.634 1.881   -0.448  C37  15P 56  
15P C38  C38  C 0 1 N N N ?     ?      ?      -24.672 2.734   -1.252  C38  15P 57  
15P O19  O19  O 0 1 N N N 5.286 -8.692 9.473  -23.427 2.801   -0.567  O19  15P 58  
15P C39  C39  C 0 1 N N N ?     ?      ?      -22.477 3.573   -1.288  C39  15P 59  
15P C40  C40  C 0 1 N N N ?     ?      ?      -21.175 3.607   -0.510  C40  15P 60  
15P O20  O20  O 0 1 N N N ?     ?      ?      -21.406 4.214   0.755   O20  15P 61  
15P C41  C41  C 0 1 N N N ?     ?      ?      -20.221 4.253   1.538   C41  15P 62  
15P C42  C42  C 0 1 N N N ?     ?      ?      -20.529 4.909   2.870   C42  15P 63  
15P O21  O21  O 0 1 N N N ?     ?      ?      -20.981 6.238   2.640   O21  15P 64  
15P C43  C43  C 0 1 N N N ?     ?      ?      -21.307 6.895   3.857   C43  15P 65  
15P C44  C44  C 0 1 N N N ?     ?      ?      -21.781 8.302   3.547   C44  15P 66  
15P O22  O22  O 0 1 N N N ?     ?      ?      -20.733 9.013   2.899   O22  15P 67  
15P C45  C45  C 0 1 N N N ?     ?      ?      -21.130 10.335  2.565   C45  15P 68  
15P C46  C46  C 0 1 N N N ?     ?      ?      -19.975 11.040  1.878   C46  15P 69  
15P O23  O23  O 0 1 N N N ?     ?      ?      -18.869 11.095  2.771   O23  15P 70  
15P C47  C47  C 0 1 N N N ?     ?      ?      -17.747 11.728  2.171   C47  15P 71  
15P C48  C48  C 0 1 N N N ?     ?      ?      -16.604 11.757  3.167   C48  15P 72  
15P O24  O24  O 0 1 N N N ?     ?      ?      -17.004 12.502  4.311   O24  15P 73  
15P C49  C49  C 0 1 N N N ?     ?      ?      -15.976 12.544  5.290   C49  15P 74  
15P C50  C50  C 0 1 N N N ?     ?      ?      -16.459 13.349  6.481   C50  15P 75  
15P O25  O25  O 0 1 N N N ?     ?      ?      -16.754 14.674  6.057   O25  15P 76  
15P C51  C51  C 0 1 N N N ?     ?      ?      -17.234 15.470  7.131   C51  15P 77  
15P C52  C52  C 0 1 N N N ?     ?      ?      -17.530 16.866  6.619   C52  15P 78  
15P O26  O26  O 0 1 N N N ?     ?      ?      -18.502 16.784  5.583   O26  15P 79  
15P C53  C53  C 0 1 N N N ?     ?      ?      -18.835 18.070  5.079   C53  15P 80  
15P C54  C54  C 0 1 N N N ?     ?      ?      -19.872 17.918  3.982   C54  15P 81  
15P O27  O27  O 0 1 N N N ?     ?      ?      -19.323 17.132  2.931   O27  15P 82  
15P C55  C55  C 0 1 N N N ?     ?      ?      -20.261 16.938  1.882   C55  15P 83  
15P C56  C56  C 0 1 N N N ?     ?      ?      -19.621 16.096  0.795   C56  15P 84  
15P O28  O28  O 0 1 N N N ?     ?      ?      -18.485 16.783  0.285   O28  15P 85  
15P C57  C57  C 0 1 N N N ?     ?      ?      -17.831 16.028  -0.725  C57  15P 86  
15P C58  C58  C 0 1 N N N ?     ?      ?      -16.632 16.809  -1.229  C58  15P 87  
15P O29  O29  O 0 1 N N N ?     ?      ?      -15.751 17.059  -0.141  O29  15P 88  
15P C59  C59  C 0 1 N N N ?     ?      ?      -14.596 17.772  -0.560  C59  15P 89  
15P C60  C60  C 0 1 N N N ?     ?      ?      -13.698 18.008  0.640   C60  15P 90  
15P O30  O30  O 0 1 N N N ?     ?      ?      -14.402 18.784  1.601   O30  15P 91  
15P C61  C61  C 0 1 N N N ?     ?      ?      -13.614 19.019  2.759   C61  15P 92  
15P C62  C62  C 0 1 N N N ?     ?      ?      -14.415 19.848  3.744   C62  15P 93  
15P O31  O31  O 0 1 N N N ?     ?      ?      -14.743 21.095  3.142   O31  15P 94  
15P C63  C63  C 0 1 N N N ?     ?      ?      -15.516 21.907  4.014   C63  15P 95  
15P C64  C64  C 0 1 N N N ?     ?      ?      -15.833 23.218  3.319   C64  15P 96  
15P O32  O32  O 0 1 N N N ?     ?      ?      -16.550 22.946  2.121   O32  15P 97  
15P C65  C65  C 0 1 N N N ?     ?      ?      -16.894 24.143  1.438   C65  15P 98  
15P C66  C66  C 0 1 N N N ?     ?      ?      -17.654 23.790  0.174   C66  15P 99  
15P O33  O33  O 0 1 N N N ?     ?      ?      -16.821 22.997  -0.663  O33  15P 100 
15P C67  C67  C 0 1 N N N ?     ?      ?      -17.491 22.617  -1.856  C67  15P 101 
15P C68  C68  C 0 1 N N N ?     ?      ?      -16.556 21.777  -2.704  C68  15P 102 
15P O34  O34  O 0 1 N N N ?     ?      ?      -15.411 22.551  -3.038  O34  15P 103 
15P CM   CM   C 0 1 N N N ?     ?      ?      -14.486 21.804  -3.817  CM   15P 104 
15P HXT  HXT  H 0 1 N N N ?     ?      ?      -44.166 -37.565 -17.824 HXT  15P 105 
15P H11  H11  H 0 1 N N N ?     ?      ?      -42.284 -36.994 -18.391 H11  15P 106 
15P H21  H21  H 0 1 N N N ?     ?      ?      -42.782 -35.294 -18.138 H21  15P 107 
15P H12  H12  H 0 1 N N N 3.478 -5.287 8.331  -40.878 -35.894 -16.602 H12  15P 108 
15P H22  H22  H 0 1 N N N 3.774 -4.007 8.983  -41.884 -37.204 -15.914 H22  15P 109 
15P H13  H13  H 0 1 N N N 4.106 -2.969 10.212 -41.765 -36.186 -13.824 H13  15P 110 
15P H23  H23  H 0 1 N N N 4.693 -3.981 9.668  -40.754 -34.887 -14.526 H23  15P 111 
15P H14  H14  H 0 1 N N N ?     ?      ?      -41.917 -34.073 -12.445 H14  15P 112 
15P H24  H24  H 0 1 N N N ?     ?      ?      -43.490 -34.457 -13.208 H24  15P 113 
15P H15  H15  H 0 1 N N N 4.370 -1.570 10.461 -44.096 -32.214 -13.067 H15  15P 114 
15P H25  H25  H 0 1 N N N 5.477 -1.814 9.949  -42.522 -31.848 -12.299 H25  15P 115 
15P H16  H16  H 0 1 N N N 3.940 0.763  9.314  -43.469 -29.788 -13.397 H16  15P 116 
15P H26  H26  H 0 1 N N N 5.557 0.367  8.422  -43.490 -30.663 -14.957 H26  15P 117 
15P H17  H17  H 0 1 N N N ?     ?      ?      -42.021 -29.093 -15.849 H17  15P 118 
15P H27  H27  H 0 1 N N N ?     ?      ?      -42.016 -28.225 -14.285 H27  15P 119 
15P H18  H18  H 0 1 N N N 5.868 0.211  5.960  -39.920 -27.714 -15.584 H18  15P 120 
15P H28  H28  H 0 1 N N N 4.845 1.510  6.653  -39.541 -29.463 -15.607 H28  15P 121 
15P H19  H19  H 0 1 N N N 3.813 0.655  5.978  -37.572 -29.045 -14.437 H19  15P 122 
15P H29  H29  H 0 1 N N N 4.450 -1.155 5.282  -37.961 -27.298 -14.430 H29  15P 123 
15P H101 1H10 H 0 0 N N N ?     ?      ?      -36.410 -27.866 -12.528 H101 15P 124 
15P H102 2H10 H 0 0 N N N ?     ?      ?      -37.627 -29.028 -11.919 H102 15P 125 
15P H111 1H11 H 0 0 N N N 4.221 -1.932 5.365  -37.787 -27.812 -9.941  H111 15P 126 
15P H112 2H11 H 0 0 N N N 2.805 -2.849 5.878  -36.564 -26.663 -10.561 H112 15P 127 
15P H121 1H12 H 0 0 N N N 5.141 -4.159 4.375  -37.997 -25.565 -8.805  H121 15P 128 
15P H122 2H12 H 0 0 N N N 4.094 -4.945 4.766  -39.440 -25.917 -9.802  H122 15P 129 
15P H131 1H13 H 0 0 N N N ?     ?      ?      -39.870 -23.636 -9.972  H131 15P 130 
15P H132 2H13 H 0 0 N N N ?     ?      ?      -38.428 -23.300 -8.967  H132 15P 131 
15P H141 1H14 H 0 0 N N N 5.031 -6.653 5.725  -38.993 -21.304 -10.396 H141 15P 132 
15P H142 2H14 H 0 0 N N N 6.199 -6.408 4.933  -38.816 -22.330 -11.851 H142 15P 133 
15P H151 1H15 H 0 0 N N N 7.081 -6.860 6.178  -37.088 -20.962 -12.598 H151 15P 134 
15P H152 2H15 H 0 0 N N N 6.070 -7.207 6.932  -37.282 -19.941 -11.141 H152 15P 135 
15P H161 1H16 H 0 0 N N N ?     ?      ?      -34.956 -19.708 -12.080 H161 15P 136 
15P H162 2H16 H 0 0 N N N ?     ?      ?      -34.728 -21.471 -11.879 H162 15P 137 
15P H171 1H17 H 0 0 N N N 4.227 -8.482 7.093  -32.964 -21.069 -10.415 H171 15P 138 
15P H172 2H17 H 0 0 N N N 5.382 -6.959 7.752  -33.199 -19.309 -10.632 H172 15P 139 
15P H181 1H18 H 0 0 N N N 3.934 -8.669 9.752  -32.055 -19.783 -8.439  H181 15P 140 
15P H182 2H18 H 0 0 N N N 4.651 -7.983 10.061 -33.452 -20.793 -7.960  H182 15P 141 
15P H191 1H19 H 0 0 N N N ?     ?      ?      -33.850 -19.373 -6.158  H191 15P 142 
15P H192 2H19 H 0 0 N N N ?     ?      ?      -32.445 -18.378 -6.646  H192 15P 143 
15P H201 1H20 H 0 0 N N N ?     ?      ?      -34.063 -17.013 -5.282  H201 15P 144 
15P H202 2H20 H 0 0 N N N ?     ?      ?      -35.336 -17.367 -6.488  H202 15P 145 
15P H211 1H21 H 0 0 N N N ?     ?      ?      -35.536 -15.091 -6.934  H211 15P 146 
15P H212 2H21 H 0 0 N N N ?     ?      ?      -34.267 -14.753 -5.719  H212 15P 147 
15P H221 1H22 H 0 0 N N N ?     ?      ?      -34.405 -12.879 -7.397  H221 15P 148 
15P H222 2H22 H 0 0 N N N ?     ?      ?      -34.066 -14.058 -8.700  H222 15P 149 
15P H231 1H23 H 0 0 N N N ?     ?      ?      -32.125 -12.892 -9.240  H231 15P 150 
15P H232 2H23 H 0 0 N N N ?     ?      ?      -32.482 -11.718 -7.938  H232 15P 151 
15P H241 1H24 H 0 0 N N N ?     ?      ?      -30.017 -11.739 -8.458  H241 15P 152 
15P H242 2H24 H 0 0 N N N ?     ?      ?      -29.978 -13.484 -8.064  H242 15P 153 
15P H251 1H25 H 0 0 N N N ?     ?      ?      -28.466 -13.054 -6.347  H251 15P 154 
15P H252 2H25 H 0 0 N N N ?     ?      ?      -28.511 -11.313 -6.758  H252 15P 155 
15P H261 1H26 H 0 0 N N N ?     ?      ?      -27.808 -11.637 -4.361  H261 15P 156 
15P H262 2H26 H 0 0 N N N ?     ?      ?      -29.348 -12.496 -4.055  H262 15P 157 
15P H271 1H27 H 0 0 N N N ?     ?      ?      -29.931 -10.877 -2.487  H271 15P 158 
15P H272 2H27 H 0 0 N N N ?     ?      ?      -28.384 -10.034 -2.799  H272 15P 159 
15P H281 1H28 H 0 0 N N N ?     ?      ?      -30.093 -8.430  -1.876  H281 15P 160 
15P H282 2H28 H 0 0 N N N ?     ?      ?      -31.163 -8.819  -3.256  H282 15P 161 
15P H291 1H29 H 0 0 N N N ?     ?      ?      -31.089 -6.592  -3.930  H291 15P 162 
15P H292 2H29 H 0 0 N N N ?     ?      ?      -30.026 -6.218  -2.541  H292 15P 163 
15P H301 1H30 H 0 0 N N N ?     ?      ?      -29.713 -4.520  -4.375  H301 15P 164 
15P H302 2H30 H 0 0 N N N ?     ?      ?      -29.254 -5.846  -5.485  H302 15P 165 
15P H311 1H31 H 0 0 N N N ?     ?      ?      -27.157 -4.875  -5.767  H311 15P 166 
15P H312 2H31 H 0 0 N N N ?     ?      ?      -27.634 -3.552  -4.660  H312 15P 167 
15P H321 1H32 H 0 0 N N N ?     ?      ?      -25.127 -3.792  -4.722  H321 15P 168 
15P H322 2H32 H 0 0 N N N ?     ?      ?      -25.304 -5.487  -4.175  H322 15P 169 
15P H331 1H33 H 0 0 N N N ?     ?      ?      -24.082 -4.987  -2.257  H331 15P 170 
15P H332 2H33 H 0 0 N N N ?     ?      ?      -23.908 -3.298  -2.822  H332 15P 171 
15P H341 1H34 H 0 0 N N N ?     ?      ?      -23.662 -3.423  -0.318  H341 15P 172 
15P H342 2H34 H 0 0 N N N ?     ?      ?      -25.298 -4.140  -0.221  H342 15P 173 
15P H351 1H35 H 0 0 N N N ?     ?      ?      -25.991 -2.344  1.072   H351 15P 174 
15P H352 2H35 H 0 0 N N N ?     ?      ?      -24.360 -1.618  0.960   H352 15P 175 
15P H361 1H36 H 0 0 N N N ?     ?      ?      -26.086 0.157   1.421   H361 15P 176 
15P H362 2H36 H 0 0 N N N ?     ?      ?      -26.931 -0.313  -0.084  H362 15P 177 
15P H371 1H37 H 0 0 N N N ?     ?      ?      -26.606 1.807   -0.946  H371 15P 178 
15P H372 2H37 H 0 0 N N N ?     ?      ?      -25.765 2.295   0.556   H372 15P 179 
15P H381 1H38 H 0 0 N N N ?     ?      ?      -25.052 3.754   -1.369  H381 15P 180 
15P H382 2H38 H 0 0 N N N ?     ?      ?      -24.498 2.291   -2.237  H382 15P 181 
15P H391 1H39 H 0 0 N N N ?     ?      ?      -22.337 3.111   -2.270  H391 15P 182 
15P H392 2H39 H 0 0 N N N ?     ?      ?      -22.877 4.583   -1.409  H392 15P 183 
15P H401 1H40 H 0 0 N N N ?     ?      ?      -20.417 4.194   -1.037  H401 15P 184 
15P H402 2H40 H 0 0 N N N ?     ?      ?      -20.803 2.592   -0.341  H402 15P 185 
15P H411 1H41 H 0 0 N N N ?     ?      ?      -19.869 3.226   1.676   H411 15P 186 
15P H412 2H41 H 0 0 N N N ?     ?      ?      -19.469 4.831   0.992   H412 15P 187 
15P H421 1H42 H 0 0 N N N ?     ?      ?      -19.637 4.957   3.502   H421 15P 188 
15P H422 2H42 H 0 0 N N N ?     ?      ?      -21.321 4.363   3.391   H422 15P 189 
15P H431 1H43 H 0 0 N N N ?     ?      ?      -22.090 6.317   4.358   H431 15P 190 
15P H432 2H43 H 0 0 N N N ?     ?      ?      -20.410 6.922   4.482   H432 15P 191 
15P H441 1H44 H 0 0 N N N ?     ?      ?      -22.041 8.841   4.464   H441 15P 192 
15P H442 2H44 H 0 0 N N N ?     ?      ?      -22.644 8.277   2.876   H442 15P 193 
15P H451 1H45 H 0 0 N N N ?     ?      ?      -22.002 10.274  1.906   H451 15P 194 
15P H452 2H45 H 0 0 N N N ?     ?      ?      -21.401 10.855  3.488   H452 15P 195 
15P H461 1H46 H 0 0 N N N ?     ?      ?      -20.245 12.065  1.606   H461 15P 196 
15P H462 2H46 H 0 0 N N N ?     ?      ?      -19.668 10.489  0.985   H462 15P 197 
15P H471 1H47 H 0 0 N N N ?     ?      ?      -17.476 11.162  1.274   H471 15P 198 
15P H472 2H47 H 0 0 N N N ?     ?      ?      -18.037 12.745  1.890   H472 15P 199 
15P H481 1H48 H 0 0 N N N ?     ?      ?      -15.720 12.239  2.738   H481 15P 200 
15P H482 2H48 H 0 0 N N N ?     ?      ?      -16.352 10.743  3.489   H482 15P 201 
15P H491 1H49 H 0 0 N N N ?     ?      ?      -15.738 11.515  5.579   H491 15P 202 
15P H492 2H49 H 0 0 N N N ?     ?      ?      -15.095 13.014  4.842   H492 15P 203 
15P H501 1H50 H 0 0 N N N ?     ?      ?      -15.691 13.403  7.258   H501 15P 204 
15P H502 2H50 H 0 0 N N N ?     ?      ?      -17.372 12.910  6.894   H502 15P 205 
15P H511 1H51 H 0 0 N N N ?     ?      ?      -18.137 14.996  7.530   H511 15P 206 
15P H512 2H51 H 0 0 N N N ?     ?      ?      -16.462 15.502  7.905   H512 15P 207 
15P H521 1H52 H 0 0 N N N ?     ?      ?      -16.631 17.334  6.206   H521 15P 208 
15P H522 2H52 H 0 0 N N N ?     ?      ?      -17.936 17.490  7.421   H522 15P 209 
15P H531 1H53 H 0 0 N N N ?     ?      ?      -19.223 18.671  5.908   H531 15P 210 
15P H532 2H53 H 0 0 N N N ?     ?      ?      -17.925 18.530  4.685   H532 15P 211 
15P H541 1H54 H 0 0 N N N ?     ?      ?      -20.154 18.891  3.569   H541 15P 212 
15P H542 2H54 H 0 0 N N N ?     ?      ?      -20.761 17.408  4.364   H542 15P 213 
15P H551 1H55 H 0 0 N N N ?     ?      ?      -21.142 16.440  2.300   H551 15P 214 
15P H552 2H55 H 0 0 N N N ?     ?      ?      -20.544 17.919  1.490   H552 15P 215 
15P H561 1H56 H 0 0 N N N ?     ?      ?      -20.317 15.925  -0.032  H561 15P 216 
15P H562 2H56 H 0 0 N N N ?     ?      ?      -19.288 15.136  1.201   H562 15P 217 
15P H571 1H57 H 0 0 N N N ?     ?      ?      -17.524 15.071  -0.291  H571 15P 218 
15P H572 2H57 H 0 0 N N N ?     ?      ?      -18.542 15.853  -1.538  H572 15P 219 
15P H581 1H58 H 0 0 N N N ?     ?      ?      -16.937 17.772  -1.649  H581 15P 220 
15P H582 2H58 H 0 0 N N N ?     ?      ?      -16.089 16.233  -1.984  H582 15P 221 
15P H591 1H59 H 0 0 N N N ?     ?      ?      -14.086 17.175  -1.323  H591 15P 222 
15P H592 2H59 H 0 0 N N N ?     ?      ?      -14.918 18.724  -0.990  H592 15P 223 
15P H601 1H60 H 0 0 N N N ?     ?      ?      -12.795 18.556  0.354   H601 15P 224 
15P H602 2H60 H 0 0 N N N ?     ?      ?      -13.421 17.057  1.104   H602 15P 225 
15P H611 1H61 H 0 0 N N N ?     ?      ?      -13.343 18.049  3.189   H611 15P 226 
15P H612 2H61 H 0 0 N N N ?     ?      ?      -12.709 19.553  2.456   H612 15P 227 
15P H621 1H62 H 0 0 N N N ?     ?      ?      -13.839 20.050  4.652   H621 15P 228 
15P H622 2H62 H 0 0 N N N ?     ?      ?      -15.347 19.338  4.004   H622 15P 229 
15P H631 1H63 H 0 0 N N N ?     ?      ?      -16.431 21.363  4.266   H631 15P 230 
15P H632 2H63 H 0 0 N N N ?     ?      ?      -14.932 22.087  4.922   H632 15P 231 
15P H641 1H64 H 0 0 N N N ?     ?      ?      -14.917 23.755  3.054   H641 15P 232 
15P H642 2H64 H 0 0 N N N ?     ?      ?      -16.458 23.848  3.958   H642 15P 233 
15P H651 1H65 H 0 0 N N N ?     ?      ?      -17.505 24.755  2.108   H651 15P 234 
15P H652 2H65 H 0 0 N N N ?     ?      ?      -15.970 24.675  1.193   H652 15P 235 
15P H661 1H66 H 0 0 N N N ?     ?      ?      -17.936 24.690  -0.381  H661 15P 236 
15P H662 2H66 H 0 0 N N N ?     ?      ?      -18.549 23.209  0.415   H662 15P 237 
15P H671 1H67 H 0 0 N N N ?     ?      ?      -18.387 22.053  -1.579  H671 15P 238 
15P H672 2H67 H 0 0 N N N ?     ?      ?      -17.780 23.527  -2.392  H672 15P 239 
15P H681 1H68 H 0 0 N N N ?     ?      ?      -17.040 21.465  -3.635  H681 15P 240 
15P H682 2H68 H 0 0 N N N ?     ?      ?      -16.223 20.895  -2.148  H682 15P 241 
15P HCM1 1HCM H 0 0 N N N ?     ?      ?      -13.492 22.250  -3.730  HCM1 15P 242 
15P HCM2 2HCM H 0 0 N N N ?     ?      ?      -14.806 21.802  -4.861  HCM2 15P 243 
15P HCM3 3HCM H 0 0 N N N ?     ?      ?      -14.456 20.777  -3.444  HCM3 15P 244 
# 
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 
15P OXT C1   SING N N 1   
15P OXT HXT  SING N N 2   
15P C1  C2   SING N N 3   
15P C1  H11  SING N N 4   
15P C1  H21  SING N N 5   
15P C2  O1   SING N N 6   
15P C2  H12  SING N N 7   
15P C2  H22  SING N N 8   
15P O1  C3   SING N N 9   
15P C3  C4   SING N N 10  
15P C3  H13  SING N N 11  
15P C3  H23  SING N N 12  
15P C4  O2   SING N N 13  
15P C4  H14  SING N N 14  
15P C4  H24  SING N N 15  
15P O2  C5   SING N N 16  
15P C5  C6   SING N N 17  
15P C5  H15  SING N N 18  
15P C5  H25  SING N N 19  
15P C6  O3   SING N N 20  
15P C6  H16  SING N N 21  
15P C6  H26  SING N N 22  
15P O3  C7   SING N N 23  
15P C7  C8   SING N N 24  
15P C7  H17  SING N N 25  
15P C7  H27  SING N N 26  
15P C8  O4   SING N N 27  
15P C8  H18  SING N N 28  
15P C8  H28  SING N N 29  
15P O4  C9   SING N N 30  
15P C9  C10  SING N N 31  
15P C9  H19  SING N N 32  
15P C9  H29  SING N N 33  
15P C10 O5   SING N N 34  
15P C10 H101 SING N N 35  
15P C10 H102 SING N N 36  
15P O5  C11  SING N N 37  
15P C11 C12  SING N N 38  
15P C11 H111 SING N N 39  
15P C11 H112 SING N N 40  
15P C12 O6   SING N N 41  
15P C12 H121 SING N N 42  
15P C12 H122 SING N N 43  
15P O6  C13  SING N N 44  
15P C13 C14  SING N N 45  
15P C13 H131 SING N N 46  
15P C13 H132 SING N N 47  
15P C14 O7   SING N N 48  
15P C14 H141 SING N N 49  
15P C14 H142 SING N N 50  
15P O7  C15  SING N N 51  
15P C15 C16  SING N N 52  
15P C15 H151 SING N N 53  
15P C15 H152 SING N N 54  
15P C16 O8   SING N N 55  
15P C16 H161 SING N N 56  
15P C16 H162 SING N N 57  
15P O8  C17  SING N N 58  
15P C17 C18  SING N N 59  
15P C17 H171 SING N N 60  
15P C17 H172 SING N N 61  
15P C18 O9   SING N N 62  
15P C18 H181 SING N N 63  
15P C18 H182 SING N N 64  
15P O9  C19  SING N N 65  
15P C19 C20  SING N N 66  
15P C19 H191 SING N N 67  
15P C19 H192 SING N N 68  
15P C20 O10  SING N N 69  
15P C20 H201 SING N N 70  
15P C20 H202 SING N N 71  
15P O10 C21  SING N N 72  
15P C21 C22  SING N N 73  
15P C21 H211 SING N N 74  
15P C21 H212 SING N N 75  
15P C22 O11  SING N N 76  
15P C22 H221 SING N N 77  
15P C22 H222 SING N N 78  
15P O11 C23  SING N N 79  
15P C23 C24  SING N N 80  
15P C23 H231 SING N N 81  
15P C23 H232 SING N N 82  
15P C24 O12  SING N N 83  
15P C24 H241 SING N N 84  
15P C24 H242 SING N N 85  
15P O12 C25  SING N N 86  
15P C25 C26  SING N N 87  
15P C25 H251 SING N N 88  
15P C25 H252 SING N N 89  
15P C26 O13  SING N N 90  
15P C26 H261 SING N N 91  
15P C26 H262 SING N N 92  
15P O13 C27  SING N N 93  
15P C27 C28  SING N N 94  
15P C27 H271 SING N N 95  
15P C27 H272 SING N N 96  
15P C28 O14  SING N N 97  
15P C28 H281 SING N N 98  
15P C28 H282 SING N N 99  
15P O14 C29  SING N N 100 
15P C29 C30  SING N N 101 
15P C29 H291 SING N N 102 
15P C29 H292 SING N N 103 
15P C30 O15  SING N N 104 
15P C30 H301 SING N N 105 
15P C30 H302 SING N N 106 
15P O15 C31  SING N N 107 
15P C31 C32  SING N N 108 
15P C31 H311 SING N N 109 
15P C31 H312 SING N N 110 
15P C32 O16  SING N N 111 
15P C32 H321 SING N N 112 
15P C32 H322 SING N N 113 
15P O16 C33  SING N N 114 
15P C33 C34  SING N N 115 
15P C33 H331 SING N N 116 
15P C33 H332 SING N N 117 
15P C34 O17  SING N N 118 
15P C34 H341 SING N N 119 
15P C34 H342 SING N N 120 
15P O17 C35  SING N N 121 
15P C35 C36  SING N N 122 
15P C35 H351 SING N N 123 
15P C35 H352 SING N N 124 
15P C36 O18  SING N N 125 
15P C36 H361 SING N N 126 
15P C36 H362 SING N N 127 
15P O18 C37  SING N N 128 
15P C37 C38  SING N N 129 
15P C37 H371 SING N N 130 
15P C37 H372 SING N N 131 
15P C38 O19  SING N N 132 
15P C38 H381 SING N N 133 
15P C38 H382 SING N N 134 
15P O19 C39  SING N N 135 
15P C39 C40  SING N N 136 
15P C39 H391 SING N N 137 
15P C39 H392 SING N N 138 
15P C40 O20  SING N N 139 
15P C40 H401 SING N N 140 
15P C40 H402 SING N N 141 
15P O20 C41  SING N N 142 
15P C41 C42  SING N N 143 
15P C41 H411 SING N N 144 
15P C41 H412 SING N N 145 
15P C42 O21  SING N N 146 
15P C42 H421 SING N N 147 
15P C42 H422 SING N N 148 
15P O21 C43  SING N N 149 
15P C43 C44  SING N N 150 
15P C43 H431 SING N N 151 
15P C43 H432 SING N N 152 
15P C44 O22  SING N N 153 
15P C44 H441 SING N N 154 
15P C44 H442 SING N N 155 
15P O22 C45  SING N N 156 
15P C45 C46  SING N N 157 
15P C45 H451 SING N N 158 
15P C45 H452 SING N N 159 
15P C46 O23  SING N N 160 
15P C46 H461 SING N N 161 
15P C46 H462 SING N N 162 
15P O23 C47  SING N N 163 
15P C47 C48  SING N N 164 
15P C47 H471 SING N N 165 
15P C47 H472 SING N N 166 
15P C48 O24  SING N N 167 
15P C48 H481 SING N N 168 
15P C48 H482 SING N N 169 
15P O24 C49  SING N N 170 
15P C49 C50  SING N N 171 
15P C49 H491 SING N N 172 
15P C49 H492 SING N N 173 
15P C50 O25  SING N N 174 
15P C50 H501 SING N N 175 
15P C50 H502 SING N N 176 
15P O25 C51  SING N N 177 
15P C51 C52  SING N N 178 
15P C51 H511 SING N N 179 
15P C51 H512 SING N N 180 
15P C52 O26  SING N N 181 
15P C52 H521 SING N N 182 
15P C52 H522 SING N N 183 
15P O26 C53  SING N N 184 
15P C53 C54  SING N N 185 
15P C53 H531 SING N N 186 
15P C53 H532 SING N N 187 
15P C54 O27  SING N N 188 
15P C54 H541 SING N N 189 
15P C54 H542 SING N N 190 
15P O27 C55  SING N N 191 
15P C55 C56  SING N N 192 
15P C55 H551 SING N N 193 
15P C55 H552 SING N N 194 
15P C56 O28  SING N N 195 
15P C56 H561 SING N N 196 
15P C56 H562 SING N N 197 
15P O28 C57  SING N N 198 
15P C57 C58  SING N N 199 
15P C57 H571 SING N N 200 
15P C57 H572 SING N N 201 
15P C58 O29  SING N N 202 
15P C58 H581 SING N N 203 
15P C58 H582 SING N N 204 
15P O29 C59  SING N N 205 
15P C59 C60  SING N N 206 
15P C59 H591 SING N N 207 
15P C59 H592 SING N N 208 
15P C60 O30  SING N N 209 
15P C60 H601 SING N N 210 
15P C60 H602 SING N N 211 
15P O30 C61  SING N N 212 
15P C61 C62  SING N N 213 
15P C61 H611 SING N N 214 
15P C61 H612 SING N N 215 
15P C62 O31  SING N N 216 
15P C62 H621 SING N N 217 
15P C62 H622 SING N N 218 
15P O31 C63  SING N N 219 
15P C63 C64  SING N N 220 
15P C63 H631 SING N N 221 
15P C63 H632 SING N N 222 
15P C64 O32  SING N N 223 
15P C64 H641 SING N N 224 
15P C64 H642 SING N N 225 
15P O32 C65  SING N N 226 
15P C65 C66  SING N N 227 
15P C65 H651 SING N N 228 
15P C65 H652 SING N N 229 
15P C66 O33  SING N N 230 
15P C66 H661 SING N N 231 
15P C66 H662 SING N N 232 
15P O33 C67  SING N N 233 
15P C67 C68  SING N N 234 
15P C67 H671 SING N N 235 
15P C67 H672 SING N N 236 
15P C68 O34  SING N N 237 
15P C68 H681 SING N N 238 
15P C68 H682 SING N N 239 
15P O34 CM   SING N N 240 
15P CM  HCM1 SING N N 241 
15P CM  HCM2 SING N N 242 
15P CM  HCM3 SING N N 243 
# 
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 
15P SMILES           ACDLabs              10.04 O(CCOCCO)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC 
15P InChI            InChI                1.02b 
;InChI=1/C69H140O35/c1-71-4-5-73-8-9-75-12-13-77-16-17-79-20-21-81-24-25-83-28-29-85-32-33-87-36-37-89-40-41-91-44-45-93-48-49-95-52-53-97-56-57-99-60-61-101-64-65-103-68-69-104-67-66-102-63-62-100-59-58-98-55-54-96-51-50-94-47-46-92-43-42-90-39-38-88-35-34-86-31-30-84-27-26-82-23-22-80-19-18-78-15-14-76-11-10-74-7-6-72-3-2-70/h70H,2-69H2,1H3
;
15P InChIKey         InChI                1.02b VUYXVWGKCKTUMF-UHFFFAOYAS 
15P SMILES_CANONICAL CACTVS               3.341 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO 
15P SMILES           CACTVS               3.341 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO 
15P SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO 
15P SMILES           "OpenEye OEToolkits" 1.5.0 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO 
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
15P "SYSTEMATIC NAME" ACDLabs              10.04 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101-tetratriacontaoxatrihectan-103-ol 
15P "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
;
# 
