data_GMM
# 
_chem_comp.id                                    GMM 
_chem_comp.name                                  "GLUCOSE MONOMYCOLATE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C66 H126 O8" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         6-O-[(23Z,33Z)-3-HYDROXY-2-OCTYLDOPENTACONTA-23,33-DIENOYL]-ALPHA-D-IDOPYRANOSE 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2006-10-19 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        1047.702 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     GMM 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1UQS 
_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 
GMM CAH  CAH  C 0 1 N N N -9.676  32.865 15.020 -11.571 -0.724  -14.040 CAH  GMM 1   
GMM CAI  CAI  C 0 1 N N N -8.441  32.517 14.120 -11.328 0.195   -12.852 CAI  GMM 2   
GMM CAJ  CAJ  C 0 1 N N N -8.786  31.743 12.800 -9.907  0.764   -12.805 CAJ  GMM 3   
GMM CAK  CAK  C 0 1 N N N -7.584  30.971 12.152 -9.616  1.672   -11.605 CAK  GMM 4   
GMM CAL  CAL  C 0 1 N N N -7.934  30.030 10.944 -8.173  2.171   -11.534 CAL  GMM 5   
GMM CAM  CAM  C 0 1 N N N -6.771  29.059 10.536 -7.887  3.044   -10.306 CAM  GMM 6   
GMM CAN  CAN  C 0 1 N N N -7.083  28.080 9.340  -6.421  3.473   -10.200 CAN  GMM 7   
GMM CAO  CAO  C 0 1 N N N -6.070  26.889 9.236  -6.132  4.345   -8.976  CAO  GMM 8   
GMM CAP  CAP  C 0 1 N N N -5.460  26.612 7.821  -4.671  4.760   -8.779  CAP  GMM 9   
GMM CAQ  CAQ  C 0 1 N N N -3.950  26.187 7.867  -4.429  5.652   -7.555  CAQ  GMM 10  
GMM CAR  CAR  C 0 1 N N N -3.021  27.358 8.316  -2.962  6.062   -7.406  CAR  GMM 11  
GMM CAS  CAS  C 0 1 N N N -1.587  26.988 8.784  -2.754  6.970   -6.190  CAS  GMM 12  
GMM CAT  CAT  C 0 1 N N N -1.036  28.115 9.717  -1.304  7.442   -6.038  CAT  GMM 13  
GMM CAU  CAU  C 0 1 N N N 0.271   27.814 10.500 -1.115  8.360   -4.830  CAU  GMM 14  
GMM CAV  CAV  C 0 1 N N N 0.641   28.943 11.493 0.329   8.838   -4.679  CAV  GMM 15  
GMM CAW  CAW  C 0 1 N N N 1.843   28.576 12.405 0.462   9.710   -3.429  CAW  GMM 16  
GMM CAX  CAX  C 0 1 N N N 2.184   29.604 13.538 1.892   10.208  -3.210  CAX  GMM 17  
GMM CAY  CAY  C 0 1 N N N 3.293   29.095 14.513 2.025   11.049  -1.934  CAY  GMM 18  
GMM CAZ  CAZ  C 0 1 N N N 3.745   30.084 15.395 3.425   11.535  -1.687  CAZ  GMM 19  
GMM CBA  CBA  C 0 1 N N N 4.487   29.929 16.596 4.335   10.834  -0.995  CBA  GMM 20  
GMM CBB  CBB  C 0 1 N N N 4.972   28.775 17.246 4.070   9.486   -0.387  CBB  GMM 21  
GMM CBC  CBC  C 0 1 N N N 4.379   28.665 18.675 3.504   9.565   1.036   CBC  GMM 22  
GMM CBD  CBD  C 0 1 N N N 4.986   27.594 19.629 3.230   8.183   1.640   CBD  GMM 23  
GMM CBE  CBE  C 0 1 N N N 4.002   27.249 20.798 2.686   8.287   3.065   CBE  GMM 24  
GMM CBF  CBF  C 0 1 N N N 4.537   26.320 21.924 2.405   6.921   3.700   CBF  GMM 25  
GMM CBG  CBG  C 0 1 N N N 5.630   27.026 22.760 1.875   7.010   5.134   CBG  GMM 26  
GMM CBH  CBH  C 0 1 N N N 6.084   26.311 24.066 1.619   5.614   5.714   CBH  GMM 27  
GMM CBI  CBI  C 0 1 N N N 7.000   27.261 24.891 1.102   5.644   7.156   CBI  GMM 28  
GMM CBJ  CBJ  C 0 1 N N N 7.213   26.863 26.218 2.022   6.313   8.139   CBJ  GMM 29  
GMM CBK  CBK  C 0 1 N N N 7.515   27.731 27.298 3.000   5.658   8.783   CBK  GMM 30  
GMM CBL  CBL  C 0 1 N N N 7.648   29.130 27.251 3.297   4.197   8.608   CBL  GMM 31  
GMM CBM  CBM  C 0 1 N N N 8.571   29.619 28.402 3.158   3.417   9.920   CBM  GMM 32  
GMM CBN  CBN  C 0 1 N N N 8.871   31.153 28.471 3.450   1.930   9.701   CBN  GMM 33  
GMM CBO  CBO  C 0 1 N N N 9.636   31.758 27.264 3.414   1.097   10.988  CBO  GMM 34  
GMM CBP  CBP  C 0 1 N N N 8.771   32.760 26.466 3.678   -0.391  10.750  CBP  GMM 35  
GMM CBQ  CBQ  C 0 1 N N N 9.545   33.227 25.228 3.532   -1.256  12.010  CBQ  GMM 36  
GMM CBR  CBR  C 0 1 N N N 8.667   33.707 24.053 3.884   -2.745  11.876  CBR  GMM 37  
GMM CBS  CBS  C 0 1 N N N 9.475   33.684 22.736 3.906   -3.545  13.186  CBS  GMM 38  
GMM CBT  CBT  C 0 1 N N N 8.655   34.176 21.547 2.623   -3.538  14.014  CBT  GMM 39  
GMM CBU  CBU  C 0 1 N N N 7.645   33.161 21.021 1.404   -4.092  13.273  CBU  GMM 40  
GMM CBV  CBV  C 0 1 N N N 6.544   33.831 20.188 0.151   -4.011  14.148  CBV  GMM 41  
GMM CBW  CBW  C 0 1 N N N 5.715   32.774 19.443 -1.088  -4.511  13.407  CBW  GMM 42  
GMM CBX  CBX  C 0 1 N N N 4.315   33.223 18.976 -2.366  -4.514  14.258  CBX  GMM 43  
GMM CBY  CBY  C 0 1 N N N 3.258   32.963 20.050 -3.599  -5.040  13.514  CBY  GMM 44  
GMM CBZ  CBZ  C 0 1 N N N 1.887   33.441 19.585 -4.863  -5.047  14.379  CBZ  GMM 45  
GMM CCA  CCA  C 0 1 N N N 0.920   33.510 20.776 -6.057  -5.616  13.609  CCA  GMM 46  
GMM CCB  CCB  C 0 1 N N N -0.401  34.182 20.388 -7.314  -5.636  14.476  CCB  GMM 47  
GMM CCC  CCC  C 0 1 N N N -1.554  33.856 21.349 -8.523  -6.164  13.704  CCC  GMM 48  
GMM CCD  CCD  C 0 1 N N N -2.828  33.842 20.498 -9.765  -6.207  14.602  CCD  GMM 49  
GMM CCE  CCE  C 0 1 N N R -4.093  33.299 21.203 -10.989 -6.767  13.867  CCE  GMM 50  
GMM OCF  OCF  O 0 1 N N N -4.518  34.338 22.130 -10.663 -8.057  13.354  OCF  GMM 51  
GMM CCG  CCG  C 0 1 N N R -5.224  32.949 20.149 -12.229 -6.836  14.787  CCG  GMM 52  
GMM CCH  CCH  C 0 1 N N N -4.710  32.043 18.956 -13.502 -7.339  14.080  CCH  GMM 53  
GMM CCI  CCI  C 0 1 N N N -5.756  31.848 17.815 -14.738 -7.447  14.987  CCI  GMM 54  
GMM CCJ  CCJ  C 0 1 N N N -5.316  30.940 16.640 -15.248 -6.128  15.576  CCJ  GMM 55  
GMM CCK  CCK  C 0 1 N N N -4.475  31.596 15.518 -16.522 -6.229  16.420  CCK  GMM 56  
GMM CCL  CCL  C 0 1 N N N -2.968  31.736 15.834 -16.933 -4.897  17.052  CCL  GMM 57  
GMM CCM  CCM  C 0 1 N N N -2.203  32.257 14.600 -18.208 -4.994  17.895  CCM  GMM 58  
GMM CCN  CCN  C 0 1 N N N -0.711  32.513 14.839 -18.576 -3.682  18.589  CCN  GMM 59  
GMM CCO  CCO  C 0 1 N N N -0.089  33.274 13.660 -19.846 -3.824  19.414  CCO  GMM 60  
GMM CCQ  CCQ  C 0 1 N N N -6.496  32.280 20.751 -11.901 -7.737  15.969  CCQ  GMM 61  
GMM OCR  OCR  O 0 1 N N N -6.825  31.190 20.285 -11.646 -8.931  15.876  OCR  GMM 62  
GMM OCS  OCS  O 0 1 N N N -7.299  32.878 21.728 -11.930 -7.012  17.124  OCS  GMM 63  
GMM CCT  CCT  C 0 1 N N N -8.510  32.064 22.087 -11.631 -7.738  18.320  CCT  GMM 64  
GMM CCU  CCU  C 0 1 N N S -9.553  32.667 23.107 -12.930 -8.303  18.897  CCU  GMM 65  
GMM OCV  OCV  O 0 1 N N N -9.367  32.084 24.488 -13.906 -7.276  19.091  OCV  GMM 66  
GMM CCW  CCW  C 0 1 N N R -10.407 32.489 25.520 -13.604 -6.356  20.139  CCW  GMM 67  
GMM OCX  OCX  O 0 1 N N N -10.105 33.814 26.086 -14.679 -5.425  20.280  OCX  GMM 68  
GMM CCY  CCY  C 0 1 N N R -11.916 32.375 25.038 -13.440 -7.078  21.476  CCY  GMM 69  
GMM OCZ  OCZ  O 0 1 N N N -12.369 31.000 25.088 -12.981 -6.136  22.446  OCZ  GMM 70  
GMM CDA  CDA  C 0 1 N N S -12.113 32.872 23.571 -12.439 -8.227  21.380  CDA  GMM 71  
GMM ODB  ODB  O 0 1 N N N -12.124 34.319 23.472 -12.531 -9.000  22.579  ODB  GMM 72  
GMM CDC  CDC  C 0 1 N N S -11.002 32.236 22.680 -12.754 -9.120  20.182  CDC  GMM 73  
GMM ODD  ODD  O 0 1 N N N -11.096 30.839 22.945 -11.717 -10.083 20.032  ODD  GMM 74  
GMM HAH1 1HAH H 0 0 N N N -9.431  33.415 15.958 -12.584 -1.135  -13.994 HAH1 GMM 75  
GMM HAH2 2HAH H 0 0 N N N -10.256 31.942 15.254 -10.868 -1.564  -14.034 HAH2 GMM 76  
GMM HAH3 3HAH H 0 0 N N N -10.437 33.427 14.430 -11.467 -0.201  -14.993 HAH3 GMM 77  
GMM HAI1 1HAI H 0 0 N N N -7.680  31.955 14.710 -12.071 1.000   -12.840 HAI1 GMM 78  
GMM HAI2 2HAI H 0 0 N N N -7.861  33.440 13.886 -11.492 -0.396  -11.942 HAI2 GMM 79  
GMM HAJ1 1HAJ H 0 0 N N N -9.245  32.435 12.056 -9.211  -0.082  -12.739 HAJ1 GMM 80  
GMM HAJ2 2HAJ H 0 0 N N N -9.641  31.049 12.973 -9.666  1.285   -13.739 HAJ2 GMM 81  
GMM HAK1 1HAK H 0 0 N N N -7.041  30.392 12.936 -10.304 2.525   -11.632 HAK1 GMM 82  
GMM HAK2 2HAK H 0 0 N N N -6.791  31.694 11.849 -9.849  1.112   -10.691 HAK2 GMM 83  
GMM HAL1 1HAL H 0 0 N N N -8.271  30.629 10.066 -7.937  2.748   -12.436 HAL1 GMM 84  
GMM HAL2 2HAL H 0 0 N N N -8.868  29.458 11.151 -7.490  1.314   -11.510 HAL2 GMM 85  
GMM HAM1 1HAM H 0 0 N N N -6.432  28.477 11.425 -8.541  3.922   -10.331 HAM1 GMM 86  
GMM HAM2 2HAM H 0 0 N N N -5.847  29.644 10.317 -8.162  2.473   -9.411  HAM2 GMM 87  
GMM HAN1 1HAN H 0 0 N N N -7.140  28.637 8.376  -5.793  2.576   -10.131 HAN1 GMM 88  
GMM HAN2 2HAN H 0 0 N N N -8.131  27.705 9.398  -6.109  4.000   -11.108 HAN2 GMM 89  
GMM HAO1 1HAO H 0 0 N N N -6.543  25.959 9.629  -6.746  5.253   -9.035  HAO1 GMM 90  
GMM HAO2 2HAO H 0 0 N N N -5.249  27.029 9.977  -6.471  3.807   -8.082  HAO2 GMM 91  
GMM HAP1 1HAP H 0 0 N N N -5.604  27.490 7.149  -4.381  5.330   -9.670  HAP1 GMM 92  
GMM HAP2 2HAP H 0 0 N N N -6.067  25.857 7.269  -4.018  3.880   -8.764  HAP2 GMM 93  
GMM HAQ1 1HAQ H 0 0 N N N -3.621  25.763 6.890  -5.024  6.566   -7.680  HAQ1 GMM 94  
GMM HAQ2 2HAQ H 0 0 N N N -3.804  25.287 8.509  -4.788  5.171   -6.638  HAQ2 GMM 95  
GMM HAR1 1HAR H 0 0 N N N -3.530  27.950 9.113  -2.328  5.177   -7.300  HAR1 GMM 96  
GMM HAR2 2HAR H 0 0 N N N -2.961  28.116 7.501  -2.650  6.573   -8.322  HAR2 GMM 97  
GMM HAS1 1HAS H 0 0 N N N -0.905  26.779 7.927  -3.040  6.418   -5.285  HAS1 GMM 98  
GMM HAS2 2HAS H 0 0 N N N -1.547  25.984 9.267  -3.417  7.841   -6.250  HAS2 GMM 99  
GMM HAT1 1HAT H 0 0 N N N -1.833  28.426 10.432 -0.662  6.561   -5.919  HAT1 GMM 100 
GMM HAT2 2HAT H 0 0 N N N -0.907  29.053 9.128  -0.982  7.951   -6.953  HAT2 GMM 101 
GMM HAU1 1HAU H 0 0 N N N 1.115   27.599 9.804  -1.764  9.237   -4.920  HAU1 GMM 102 
GMM HAU2 2HAU H 0 0 N N N 0.211   26.828 11.018 -1.417  7.828   -3.920  HAU2 GMM 103 
GMM HAV1 1HAV H 0 0 N N N -0.243  29.244 12.101 0.622   9.412   -5.565  HAV1 GMM 104 
GMM HAV2 2HAV H 0 0 N N N 0.827   29.902 10.955 1.005   7.978   -4.608  HAV2 GMM 105 
GMM HAW1 1HAW H 0 0 N N N 2.747   28.386 11.781 -0.211  10.571  -3.515  HAW1 GMM 106 
GMM HAW2 2HAW H 0 0 N N N 1.688   27.564 12.846 0.131   9.132   -2.558  HAW2 GMM 107 
GMM HAX1 1HAX H 0 0 N N N 1.266   29.897 14.099 2.196   10.829  -4.062  HAX1 GMM 108 
GMM HAX2 2HAX H 0 0 N N N 2.458   30.595 13.106 2.580   9.355   -3.175  HAX2 GMM 109 
GMM HAY1 1HAY H 0 0 N N N 4.144   28.647 13.948 1.367   11.923  -2.010  HAY1 GMM 110 
GMM HAY2 2HAY H 0 0 N N N 2.949   28.193 15.070 1.662   10.469  -1.076  HAY2 GMM 111 
GMM HAZ  HAZ  H 0 1 N N N 3.491   31.122 15.120 3.692   12.501  -2.108  HAZ  GMM 112 
GMM HBA  HBA  H 0 1 N N N 4.725   30.875 17.110 5.313   11.278  -0.827  HBA  GMM 113 
GMM HBB1 1HBB H 0 0 N N N 6.087   28.743 17.257 4.996   8.899   -0.359  HBB1 GMM 114 
GMM HBB2 2HBB H 0 0 N N N 4.785   27.853 16.648 3.368   8.942   -1.030  HBB2 GMM 115 
GMM HBC1 1HBC H 0 0 N N N 3.277   28.513 18.605 4.232   10.088  1.669   HBC1 GMM 116 
GMM HBC2 2HBC H 0 0 N N N 4.422   29.664 19.169 2.586   10.165  1.042   HBC2 GMM 117 
GMM HBD1 1HBD H 0 0 N N N 5.984   27.908 20.014 2.504   7.646   1.023   HBD1 GMM 118 
GMM HBD2 2HBD H 0 0 N N N 5.297   26.679 19.072 4.157   7.599   1.633   HBD2 GMM 119 
GMM HBE1 1HBE H 0 0 N N N 3.063   26.820 20.378 1.747   8.854   3.046   HBE1 GMM 120 
GMM HBE2 2HBE H 0 0 N N N 3.615   28.193 21.248 3.384   8.852   3.693   HBE2 GMM 121 
GMM HBF1 1HBF H 0 0 N N N 4.898   25.347 21.516 1.660   6.406   3.079   HBF1 GMM 122 
GMM HBF2 2HBF H 0 0 N N N 3.711   25.939 22.568 3.311   6.306   3.675   HBF2 GMM 123 
GMM HBG1 1HBG H 0 0 N N N 5.306   28.066 22.997 0.944   7.590   5.135   HBG1 GMM 124 
GMM HBG2 2HBG H 0 0 N N N 6.518   27.230 22.118 2.590   7.540   5.770   HBG2 GMM 125 
GMM HBH1 1HBH H 0 0 N N N 6.573   25.330 23.860 0.865   5.105   5.101   HBH1 GMM 126 
GMM HBH2 2HBH H 0 0 N N N 5.220   25.938 24.663 2.535   5.014   5.652   HBH2 GMM 127 
GMM HBI1 1HBI H 0 0 N N N 6.606   28.303 24.858 0.135   6.160   7.182   HBI1 GMM 128 
GMM HBI2 2HBI H 0 0 N N N 7.975   27.407 24.370 0.909   4.610   7.468   HBI2 GMM 129 
GMM HBJ  HBJ  H 0 1 N N N 7.140   25.785 26.441 1.834   7.356   8.376   HBJ  GMM 130 
GMM HBK  HBK  H 0 1 N N N 7.662   27.257 28.283 3.671   6.216   9.432   HBK  GMM 131 
GMM HBL1 1HBL H 0 0 N N N 6.658   29.643 27.263 4.328   4.111   8.242   HBL1 GMM 132 
GMM HBL2 2HBL H 0 0 N N N 8.003   29.482 26.254 2.649   3.753   7.843   HBL2 GMM 133 
GMM HBM1 1HBM H 0 0 N N N 9.532   29.053 28.374 3.857   3.817   10.665  HBM1 GMM 134 
GMM HBM2 2HBM H 0 0 N N N 8.159   29.277 29.380 2.146   3.552   10.319  HBM2 GMM 135 
GMM HBN1 1HBN H 0 0 N N N 9.413   31.389 29.417 2.745   1.515   8.972   HBN1 GMM 136 
GMM HBN2 2HBN H 0 0 N N N 7.922   31.715 28.636 4.451   1.825   9.265   HBN2 GMM 137 
GMM HBO1 1HBO H 0 0 N N N 10.041  30.958 26.601 4.176   1.507   11.659  HBO1 GMM 138 
GMM HBO2 2HBO H 0 0 N N N 10.596  32.223 27.588 2.448   1.229   11.489  HBO2 GMM 139 
GMM HBP1 1HBP H 0 0 N N N 8.426   33.614 27.095 4.665   -0.519  10.302  HBP1 GMM 140 
GMM HBP2 2HBP H 0 0 N N N 7.771   32.340 26.205 2.959   -0.766  10.011  HBP2 GMM 141 
GMM HBQ1 1HBQ H 0 0 N N N 10.243  32.427 24.886 2.509   -1.158  12.392  HBQ1 GMM 142 
GMM HBQ2 2HBQ H 0 0 N N N 10.279  34.018 25.508 4.184   -0.824  12.781  HBQ2 GMM 143 
GMM HBR1 1HBR H 0 0 N N N 8.221   34.710 24.250 3.256   -3.243  11.133  HBR1 GMM 144 
GMM HBR2 2HBR H 0 0 N N N 7.723   33.119 23.972 4.903   -2.797  11.470  HBR2 GMM 145 
GMM HBS1 1HBS H 0 0 N N N 9.900   32.672 22.541 4.169   -4.584  12.951  HBS1 GMM 146 
GMM HBS2 2HBS H 0 0 N N N 10.425  34.259 22.836 4.721   -3.160  13.813  HBS2 GMM 147 
GMM HBT1 1HBT H 0 0 N N N 9.326   34.520 20.726 2.786   -4.145  14.914  HBT1 GMM 148 
GMM HBT2 2HBT H 0 0 N N N 8.149   35.138 21.794 2.432   -2.525  14.376  HBT2 GMM 149 
GMM HBU1 1HBU H 0 0 N N N 7.213   32.552 21.849 1.597   -5.131  12.981  HBU1 GMM 150 
GMM HBU2 2HBU H 0 0 N N N 8.148   32.347 20.449 1.219   -3.531  12.353  HBU2 GMM 151 
GMM HBV1 1HBV H 0 0 N N N 6.959   34.598 19.493 0.293   -4.593  15.066  HBV1 GMM 152 
GMM HBV2 2HBV H 0 0 N N N 5.903   34.499 20.809 0.014   -2.965  14.439  HBV2 GMM 153 
GMM HBW1 1HBW H 0 0 N N N 5.630   31.852 20.064 -1.255  -3.900  12.511  HBW1 GMM 154 
GMM HBW2 2HBW H 0 0 N N N 6.295   32.379 18.577 -0.903  -5.534  13.056  HBW2 GMM 155 
GMM HBX1 1HBX H 0 0 N N N 4.037   32.749 18.006 -2.181  -5.176  15.113  HBX1 GMM 156 
GMM HBX2 2HBX H 0 0 N N N 4.315   34.290 18.653 -2.552  -3.516  14.672  HBX2 GMM 157 
GMM HBY1 1HBY H 0 0 N N N 3.543   33.416 21.028 -3.405  -6.073  13.197  HBY1 GMM 158 
GMM HBY2 2HBY H 0 0 N N N 3.239   31.892 20.360 -3.758  -4.463  12.596  HBY2 GMM 159 
GMM HBZ1 1HBZ H 0 0 N N N 1.485   32.812 18.757 -5.107  -4.038  14.722  HBZ1 GMM 160 
GMM HBZ2 2HBZ H 0 0 N N N 1.947   34.411 19.039 -4.681  -5.646  15.280  HBZ2 GMM 161 
GMM HCA1 1HCA H 0 0 N N N 1.390   34.011 21.655 -6.241  -4.998  12.721  HCA1 GMM 162 
GMM HCA2 2HCA H 0 0 N N N 0.750   32.502 21.222 -5.829  -6.630  13.259  HCA2 GMM 163 
GMM HCB1 1HCB H 0 0 N N N -0.679  33.932 19.337 -7.139  -6.260  15.360  HCB1 GMM 164 
GMM HCB2 2HCB H 0 0 N N N -0.270  35.285 20.287 -7.528  -4.621  14.831  HCB2 GMM 165 
GMM HCC1 1HCC H 0 0 N N N -1.612  34.546 22.223 -8.712  -5.522  12.836  HCC1 GMM 166 
GMM HCC2 2HCC H 0 0 N N N -1.397  32.916 21.928 -8.305  -7.169  13.323  HCC2 GMM 167 
GMM HCD1 1HCD H 0 0 N N N -2.648  33.282 19.551 -9.973  -5.189  14.952  HCD1 GMM 168 
GMM HCD2 2HCD H 0 0 N N N -3.026  34.861 20.090 -9.550  -6.824  15.482  HCD2 GMM 169 
GMM HCE  HCE  H 0 1 N N N -3.828  32.380 21.777 -11.199 -6.123  13.006  HCE  GMM 170 
GMM HCF  HCF  H 0 1 N N N -5.295  34.005 22.563 -9.844  -8.330  13.794  HCF  GMM 171 
GMM HCG  HCG  H 0 1 N N N -5.552  33.915 19.699 -12.410 -5.828  15.179  HCG  GMM 172 
GMM HCH1 1HCH H 0 0 N N N -4.357  31.056 19.337 -13.737 -6.690  13.230  HCH1 GMM 173 
GMM HCH2 2HCH H 0 0 N N N -3.752  32.440 18.546 -13.322 -8.337  13.659  HCH2 GMM 174 
GMM HCI1 1HCI H 0 0 N N N -6.081  32.841 17.425 -14.521 -8.132  15.816  HCI1 GMM 175 
GMM HCI2 2HCI H 0 0 N N N -6.717  31.476 18.242 -15.544 -7.925  14.417  HCI2 GMM 176 
GMM HCJ1 1HCJ H 0 0 N N N -6.213  30.450 16.194 -15.419 -5.408  14.767  HCJ1 GMM 177 
GMM HCJ2 2HCJ H 0 0 N N N -4.773  30.052 17.040 -14.449 -5.697  16.193  HCJ2 GMM 178 
GMM HCK1 1HCK H 0 0 N N N -4.905  32.587 15.242 -17.320 -6.590  15.763  HCK1 GMM 179 
GMM HCK2 2HCK H 0 0 N N N -4.619  31.049 14.557 -16.398 -6.983  17.204  HCK2 GMM 180 
GMM HCL1 1HCL H 0 0 N N N -2.535  30.783 16.218 -17.066 -4.138  16.272  HCL1 GMM 181 
GMM HCL2 2HCL H 0 0 N N N -2.790  32.373 16.731 -16.128 -4.543  17.706  HCL2 GMM 182 
GMM HCM1 1HCM H 0 0 N N N -2.694  33.173 14.197 -18.049 -5.765  18.659  HCM1 GMM 183 
GMM HCM2 2HCM H 0 0 N N N -2.345  31.567 13.736 -19.041 -5.336  17.269  HCM2 GMM 184 
GMM HCN1 1HCN H 0 0 N N N -0.161  31.568 15.055 -18.726 -2.887  17.852  HCN1 GMM 185 
GMM HCN2 2HCN H 0 0 N N N -0.533  33.037 15.807 -17.757 -3.365  19.245  HCN2 GMM 186 
GMM HCO1 1HCO H 0 0 N N N 0.997   33.460 13.834 -20.100 -2.869  19.885  HCO1 GMM 187 
GMM HCO2 2HCO H 0 0 N N N -0.639  34.219 13.444 -20.690 -4.129  18.788  HCO2 GMM 188 
GMM HCO3 3HCO H 0 0 N N N -0.267  32.750 12.692 -19.717 -4.567  20.206  HCO3 GMM 189 
GMM HCT1 1HCT H 0 0 N N N -8.177  31.066 22.458 -10.936 -8.547  18.076  HCT1 GMM 190 
GMM HCT2 2HCT H 0 0 N N N -9.044  31.779 21.151 -11.156 -7.060  19.035  HCT2 GMM 191 
GMM HCU  HCU  H 0 1 N N N -9.470  33.778 23.138 -13.332 -8.973  18.127  HCU  GMM 192 
GMM HCW  HCW  H 0 1 N N N -10.300 31.766 26.362 -12.713 -5.774  19.883  HCW  GMM 193 
GMM HCX  HCX  H 0 1 N N N -10.755 34.067 26.731 -15.497 -5.939  20.196  HCX  GMM 194 
GMM HCY  HCY  H 0 1 N N N -12.556 32.989 25.714 -14.409 -7.449  21.833  HCY  GMM 195 
GMM HCZ  HCZ  H 0 1 N N N -13.272 30.932 24.800 -12.158 -5.762  22.097  HCZ  GMM 196 
GMM HDA  HDA  H 0 1 N N N -13.099 32.496 23.211 -11.410 -7.853  21.335  HDA  GMM 197 
GMM HDB  HDB  H 0 1 N N N -12.801 34.706 24.015 -13.475 -9.154  22.732  HDB  GMM 198 
GMM HDC  HDC  H 0 1 N N N -11.182 32.452 21.601 -13.678 -9.674  20.388  HDC  GMM 199 
GMM HDD  HDD  H 0 1 N N N -11.972 30.578 22.687 -11.358 -9.968  19.138  HDD  GMM 200 
# 
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 
GMM CAH CAI  SING N N 1   
GMM CAH HAH1 SING N N 2   
GMM CAH HAH2 SING N N 3   
GMM CAH HAH3 SING N N 4   
GMM CAI CAJ  SING N N 5   
GMM CAI HAI1 SING N N 6   
GMM CAI HAI2 SING N N 7   
GMM CAJ CAK  SING N N 8   
GMM CAJ HAJ1 SING N N 9   
GMM CAJ HAJ2 SING N N 10  
GMM CAK CAL  SING N N 11  
GMM CAK HAK1 SING N N 12  
GMM CAK HAK2 SING N N 13  
GMM CAL CAM  SING N N 14  
GMM CAL HAL1 SING N N 15  
GMM CAL HAL2 SING N N 16  
GMM CAM CAN  SING N N 17  
GMM CAM HAM1 SING N N 18  
GMM CAM HAM2 SING N N 19  
GMM CAN CAO  SING N N 20  
GMM CAN HAN1 SING N N 21  
GMM CAN HAN2 SING N N 22  
GMM CAO CAP  SING N N 23  
GMM CAO HAO1 SING N N 24  
GMM CAO HAO2 SING N N 25  
GMM CAP CAQ  SING N N 26  
GMM CAP HAP1 SING N N 27  
GMM CAP HAP2 SING N N 28  
GMM CAQ CAR  SING N N 29  
GMM CAQ HAQ1 SING N N 30  
GMM CAQ HAQ2 SING N N 31  
GMM CAR CAS  SING N N 32  
GMM CAR HAR1 SING N N 33  
GMM CAR HAR2 SING N N 34  
GMM CAS CAT  SING N N 35  
GMM CAS HAS1 SING N N 36  
GMM CAS HAS2 SING N N 37  
GMM CAT CAU  SING N N 38  
GMM CAT HAT1 SING N N 39  
GMM CAT HAT2 SING N N 40  
GMM CAU CAV  SING N N 41  
GMM CAU HAU1 SING N N 42  
GMM CAU HAU2 SING N N 43  
GMM CAV CAW  SING N N 44  
GMM CAV HAV1 SING N N 45  
GMM CAV HAV2 SING N N 46  
GMM CAW CAX  SING N N 47  
GMM CAW HAW1 SING N N 48  
GMM CAW HAW2 SING N N 49  
GMM CAX CAY  SING N N 50  
GMM CAX HAX1 SING N N 51  
GMM CAX HAX2 SING N N 52  
GMM CAY CAZ  SING N N 53  
GMM CAY HAY1 SING N N 54  
GMM CAY HAY2 SING N N 55  
GMM CAZ CBA  DOUB N Z 56  
GMM CAZ HAZ  SING N N 57  
GMM CBA CBB  SING N N 58  
GMM CBA HBA  SING N N 59  
GMM CBB CBC  SING N N 60  
GMM CBB HBB1 SING N N 61  
GMM CBB HBB2 SING N N 62  
GMM CBC CBD  SING N N 63  
GMM CBC HBC1 SING N N 64  
GMM CBC HBC2 SING N N 65  
GMM CBD CBE  SING N N 66  
GMM CBD HBD1 SING N N 67  
GMM CBD HBD2 SING N N 68  
GMM CBE CBF  SING N N 69  
GMM CBE HBE1 SING N N 70  
GMM CBE HBE2 SING N N 71  
GMM CBF CBG  SING N N 72  
GMM CBF HBF1 SING N N 73  
GMM CBF HBF2 SING N N 74  
GMM CBG CBH  SING N N 75  
GMM CBG HBG1 SING N N 76  
GMM CBG HBG2 SING N N 77  
GMM CBH CBI  SING N N 78  
GMM CBH HBH1 SING N N 79  
GMM CBH HBH2 SING N N 80  
GMM CBI CBJ  SING N N 81  
GMM CBI HBI1 SING N N 82  
GMM CBI HBI2 SING N N 83  
GMM CBJ CBK  DOUB N Z 84  
GMM CBJ HBJ  SING N N 85  
GMM CBK CBL  SING N N 86  
GMM CBK HBK  SING N N 87  
GMM CBL CBM  SING N N 88  
GMM CBL HBL1 SING N N 89  
GMM CBL HBL2 SING N N 90  
GMM CBM CBN  SING N N 91  
GMM CBM HBM1 SING N N 92  
GMM CBM HBM2 SING N N 93  
GMM CBN CBO  SING N N 94  
GMM CBN HBN1 SING N N 95  
GMM CBN HBN2 SING N N 96  
GMM CBO CBP  SING N N 97  
GMM CBO HBO1 SING N N 98  
GMM CBO HBO2 SING N N 99  
GMM CBP CBQ  SING N N 100 
GMM CBP HBP1 SING N N 101 
GMM CBP HBP2 SING N N 102 
GMM CBQ CBR  SING N N 103 
GMM CBQ HBQ1 SING N N 104 
GMM CBQ HBQ2 SING N N 105 
GMM CBR CBS  SING N N 106 
GMM CBR HBR1 SING N N 107 
GMM CBR HBR2 SING N N 108 
GMM CBS CBT  SING N N 109 
GMM CBS HBS1 SING N N 110 
GMM CBS HBS2 SING N N 111 
GMM CBT CBU  SING N N 112 
GMM CBT HBT1 SING N N 113 
GMM CBT HBT2 SING N N 114 
GMM CBU CBV  SING N N 115 
GMM CBU HBU1 SING N N 116 
GMM CBU HBU2 SING N N 117 
GMM CBV CBW  SING N N 118 
GMM CBV HBV1 SING N N 119 
GMM CBV HBV2 SING N N 120 
GMM CBW CBX  SING N N 121 
GMM CBW HBW1 SING N N 122 
GMM CBW HBW2 SING N N 123 
GMM CBX CBY  SING N N 124 
GMM CBX HBX1 SING N N 125 
GMM CBX HBX2 SING N N 126 
GMM CBY CBZ  SING N N 127 
GMM CBY HBY1 SING N N 128 
GMM CBY HBY2 SING N N 129 
GMM CBZ CCA  SING N N 130 
GMM CBZ HBZ1 SING N N 131 
GMM CBZ HBZ2 SING N N 132 
GMM CCA CCB  SING N N 133 
GMM CCA HCA1 SING N N 134 
GMM CCA HCA2 SING N N 135 
GMM CCB CCC  SING N N 136 
GMM CCB HCB1 SING N N 137 
GMM CCB HCB2 SING N N 138 
GMM CCC CCD  SING N N 139 
GMM CCC HCC1 SING N N 140 
GMM CCC HCC2 SING N N 141 
GMM CCD CCE  SING N N 142 
GMM CCD HCD1 SING N N 143 
GMM CCD HCD2 SING N N 144 
GMM CCE OCF  SING N N 145 
GMM CCE CCG  SING N N 146 
GMM CCE HCE  SING N N 147 
GMM OCF HCF  SING N N 148 
GMM CCG CCH  SING N N 149 
GMM CCG CCQ  SING N N 150 
GMM CCG HCG  SING N N 151 
GMM CCH CCI  SING N N 152 
GMM CCH HCH1 SING N N 153 
GMM CCH HCH2 SING N N 154 
GMM CCI CCJ  SING N N 155 
GMM CCI HCI1 SING N N 156 
GMM CCI HCI2 SING N N 157 
GMM CCJ CCK  SING N N 158 
GMM CCJ HCJ1 SING N N 159 
GMM CCJ HCJ2 SING N N 160 
GMM CCK CCL  SING N N 161 
GMM CCK HCK1 SING N N 162 
GMM CCK HCK2 SING N N 163 
GMM CCL CCM  SING N N 164 
GMM CCL HCL1 SING N N 165 
GMM CCL HCL2 SING N N 166 
GMM CCM CCN  SING N N 167 
GMM CCM HCM1 SING N N 168 
GMM CCM HCM2 SING N N 169 
GMM CCN CCO  SING N N 170 
GMM CCN HCN1 SING N N 171 
GMM CCN HCN2 SING N N 172 
GMM CCO HCO1 SING N N 173 
GMM CCO HCO2 SING N N 174 
GMM CCO HCO3 SING N N 175 
GMM CCQ OCR  DOUB N N 176 
GMM CCQ OCS  SING N N 177 
GMM OCS CCT  SING N N 178 
GMM CCT CCU  SING N N 179 
GMM CCT HCT1 SING N N 180 
GMM CCT HCT2 SING N N 181 
GMM CCU OCV  SING N N 182 
GMM CCU CDC  SING N N 183 
GMM CCU HCU  SING N N 184 
GMM OCV CCW  SING N N 185 
GMM CCW OCX  SING N N 186 
GMM CCW CCY  SING N N 187 
GMM CCW HCW  SING N N 188 
GMM OCX HCX  SING N N 189 
GMM CCY OCZ  SING N N 190 
GMM CCY CDA  SING N N 191 
GMM CCY HCY  SING N N 192 
GMM OCZ HCZ  SING N N 193 
GMM CDA ODB  SING N N 194 
GMM CDA CDC  SING N N 195 
GMM CDA HDA  SING N N 196 
GMM ODB HDB  SING N N 197 
GMM CDC ODD  SING N N 198 
GMM CDC HDC  SING N N 199 
GMM ODD HDD  SING N N 200 
# 
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 
GMM SMILES           ACDLabs              10.04 O=C(OCC1OC(O)C(O)C(O)C1O)C(CCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCC\C=C/CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCC 
GMM InChI            InChI                1.02b 
;InChI=1/C66H126O8/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-53-55-57-60(67)59(56-54-52-10-8-6-4-2)65(71)73-58-61-62(68)63(69)64(70)66(72)74-61/h24-25,34-35,59-64,66-70,72H,3-23,26-33,36-58H2,1-2H3/b25-24-,35-34-/t59-,60-,61+,62-,63+,64-,66-/m1/s1
;
GMM InChIKey         InChI                1.02b BVARSKHQNMUXIB-WOUBZNJSBF 
GMM SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCCC\C=C/CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCC[C@@H](O)[C@@H](CCCCCCCC)C(=O)OC[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 
GMM SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCCCC=CCCCCCCCCC=CCCCCCCCCCCCCCCCCCCC[CH](O)[CH](CCCCCCCC)C(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O 
GMM SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC\C=C/CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O 
GMM SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCCC=CCCCCCCCCC=CCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCC)C(=O)OCC1C(C(C(C(O1)O)O)O)O)O 
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
GMM "SYSTEMATIC NAME" ACDLabs              10.04 6-O-[(2R,3R,23Z,33Z)-3-hydroxy-2-octyldopentaconta-23,33-dienoyl]-alpha-L-idopyranose                                  
GMM "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (2R,3R,23Z,33Z)-3-hydroxy-2-octyl-dopentaconta-23,33-dienoate" 
# 
