data_ACX
# 
_chem_comp.id                                    ACX 
_chem_comp.name                                  "ALPHA-CYCLODEXTRIN (CYCLOHEXA-AMYLOSE)" 
_chem_comp.type                                  SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C36 H60 O30" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_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                        972.844 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ACX 
_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        ? 
_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 
ACX C1A  C1A  C 0 1 N N R 69.975 83.300 55.298 1.837  -6.531 -2.045 C1A  ACX 1   
ACX C2A  C2A  C 0 1 N N R 70.619 83.552 53.969 2.430  -5.445 -2.967 C2A  ACX 2   
ACX C3A  C3A  C 0 1 N N R 70.033 84.775 53.333 1.671  -5.378 -4.290 C3A  ACX 3   
ACX C4A  C4A  C 0 1 N N S 68.524 84.614 53.220 0.165  -5.144 -4.064 C4A  ACX 4   
ACX C5A  C5A  C 0 1 N N R 67.839 84.123 54.501 -0.265 -5.544 -2.636 C5A  ACX 5   
ACX C6A  C6A  C 0 1 N N N 66.484 83.528 54.196 -1.763 -5.826 -2.573 C6A  ACX 6   
ACX O1A  O1A  O 0 1 N N N 70.245 84.335 56.162 2.139  -6.243 -0.676 O1A  ACX 7   
ACX O2A  O2A  O 0 1 N N N 72.016 83.755 54.110 2.374  -4.158 -2.357 O2A  ACX 8   
ACX O3A  O3A  O 0 1 N N N 70.638 84.883 52.055 1.837  -6.613 -4.985 O3A  ACX 9   
ACX O5A  O5A  O 0 1 N N N 68.578 83.058 55.108 0.425  -6.722 -2.229 O5A  ACX 10  
ACX O6A  O6A  O 0 1 N N N 65.690 83.476 55.382 -2.094 -6.197 -1.249 O6A  ACX 11  
ACX C1B  C1B  C 0 1 N N R 71.688 85.120 59.839 4.277  -5.277 1.399  C1B  ACX 12  
ACX C2B  C2B  C 0 1 N N R 72.639 84.283 59.022 5.170  -6.267 0.657  C2B  ACX 13  
ACX C3B  C3B  C 0 1 N N R 72.191 84.250 57.578 4.397  -7.084 -0.381 C3B  ACX 14  
ACX C4B  C4B  C 0 1 N N S 70.722 83.884 57.419 2.916  -7.254 -0.011 C4B  ACX 15  
ACX C5B  C5B  C 0 1 N N R 69.867 84.617 58.435 2.660  -7.105 1.504  C5B  ACX 16  
ACX C6B  C6B  C 0 1 N N N 68.487 84.059 58.558 3.081  -8.348 2.286  C6B  ACX 17  
ACX O1B  O1B  O 0 1 N N N 71.636 86.394 59.259 3.717  -4.329 0.484  O1B  ACX 18  
ACX O2B  O2B  O 0 1 N N N 73.948 84.818 59.146 6.230  -5.560 0.018  O2B  ACX 19  
ACX O3B  O3B  O 0 1 N N N 72.961 83.316 56.818 5.018  -8.369 -0.462 O3B  ACX 20  
ACX O5B  O5B  O 0 1 N N N 70.410 84.538 59.750 3.270  -5.969 2.134  O5B  ACX 21  
ACX O6B  O6B  O 0 1 N N N 67.844 84.481 59.765 2.824  -8.127 3.662  O6B  ACX 22  
ACX C1C  C1C  C 0 1 N N R 72.177 90.284 60.106 2.336  -0.396 0.543  C1C  ACX 23  
ACX C2C  C2C  C 0 1 N N R 73.433 89.544 59.781 3.851  -0.591 0.588  C2C  ACX 24  
ACX C3C  C3C  C 0 1 N N R 73.018 88.289 59.076 4.245  -2.020 0.222  C3C  ACX 25  
ACX C4C  C4C  C 0 1 N N S 72.147 87.492 60.014 3.447  -3.041 1.049  C4C  ACX 26  
ACX C5C  C5C  C 0 1 N N R 70.967 88.295 60.548 1.947  -2.714 0.974  C5C  ACX 27  
ACX C6C  C6C  C 0 1 N N N 70.391 87.594 61.745 1.100  -3.605 1.872  C6C  ACX 28  
ACX O1C  O1C  O 0 1 N N N 71.444 90.383 58.954 1.863  -0.466 -0.810 O1C  ACX 29  
ACX O2C  O2C  O 0 1 N N N 74.280 90.301 58.915 4.471  0.334  -0.299 O2C  ACX 30  
ACX O3C  O3C  O 0 1 N N N 74.189 87.574 58.721 5.641  -2.200 0.470  O3C  ACX 31  
ACX O5C  O5C  O 0 1 N N N 71.455 89.532 61.067 1.709  -1.363 1.392  O5C  ACX 32  
ACX O6C  O6C  O 0 1 N N N 71.401 87.595 62.758 -0.255 -3.218 1.738  O6C  ACX 33  
ACX C1D  C1D  C 0 1 N N R 69.483 93.231 56.757 0.086  0.736  -3.771 C1D  ACX 34  
ACX C2D  C2D  C 0 1 N N R 70.970 93.442 56.891 0.976  1.645  -2.911 C2D  ACX 35  
ACX C3D  C3D  C 0 1 N N R 71.583 92.128 57.288 0.645  1.519  -1.420 C3D  ACX 36  
ACX C4D  C4D  C 0 1 N N S 70.963 91.658 58.587 0.529  0.058  -0.960 C4D  ACX 37  
ACX C5D  C5D  C 0 1 N N R 69.460 91.528 58.461 -0.195 -0.854 -1.966 C5D  ACX 38  
ACX C6D  C6D  C 0 1 N N N 68.843 91.285 59.799 -1.717 -0.829 -1.842 C6D  ACX 39  
ACX O1D  O1D  O 0 1 N N N 69.344 92.276 55.739 0.446  0.767  -5.158 O1D  ACX 40  
ACX O2D  O2D  O 0 1 N N N 71.482 93.821 55.627 2.343  1.280  -3.106 O2D  ACX 41  
ACX O3D  O3D  O 0 1 N N N 73.002 92.206 57.464 -0.557 2.220  -1.117 O3D  ACX 42  
ACX O5D  O5D  O 0 1 N N N 68.900 92.749 57.969 0.223  -0.614 -3.310 O5D  ACX 43  
ACX O6D  O6D  O 0 1 N N N 68.639 92.492 60.530 -2.066 -1.268 -0.543 O6D  ACX 44  
ACX C1E  C1E  C 0 1 N N R 66.831 91.153 52.769 -0.922 0.712  -8.081 C1E  ACX 45  
ACX C2E  C2E  C 0 1 N N R 67.882 92.132 52.338 0.287  1.587  -8.399 C2E  ACX 46  
ACX C3E  C3E  C 0 1 N N R 68.972 92.161 53.388 1.103  1.886  -7.142 C3E  ACX 47  
ACX C4E  C4E  C 0 1 N N S 68.358 92.503 54.732 0.235  1.995  -5.874 C4E  ACX 48  
ACX C5E  C5E  C 0 1 N N R 67.200 91.581 55.080 -1.263 2.216  -6.183 C5E  ACX 49  
ACX C6E  C6E  C 0 1 N N N 66.490 92.067 56.319 -1.567 3.672  -6.539 C6E  ACX 50  
ACX O1E  O1E  O 0 1 N N N 67.409 89.905 52.874 -0.476 -0.542 -7.551 O1E  ACX 51  
ACX O2E  O2E  O 0 1 N N N 68.443 91.715 51.087 1.132  0.939  -9.347 O2E  ACX 52  
ACX O3E  O3E  O 0 1 N N N 69.992 93.078 52.993 1.820  3.107  -7.344 O3E  ACX 53  
ACX O5E  O5E  O 0 1 N N N 66.258 91.582 54.002 -1.822 1.393  -7.213 O5E  ACX 54  
ACX O6E  O6E  O 0 1 N N N 65.124 92.355 56.009 -1.215 4.486  -5.436 O6E  ACX 55  
ACX C1F  C1F  C 0 1 N N R 67.110 86.033 51.794 -0.854 -3.404 -5.394 C1F  ACX 56  
ACX C2F  C2F  C 0 1 N N R 67.769 86.883 50.734 0.074  -3.371 -6.613 C2F  ACX 57  
ACX C3F  C3F  C 0 1 N N R 68.132 88.229 51.303 -0.669 -2.896 -7.863 C3F  ACX 58  
ACX C4F  C4F  C 0 1 N N S 66.961 88.890 51.990 -1.453 -1.597 -7.609 C4F  ACX 59  
ACX C5F  C5F  C 0 1 N N R 66.108 87.949 52.828 -2.249 -1.638 -6.291 C5F  ACX 60  
ACX C6F  C6F  C 0 1 N N N 64.728 88.527 52.998 -3.566 -2.406 -6.389 C6F  ACX 61  
ACX O1F  O1F  O 0 1 N N N 67.980 85.909 52.896 -0.130 -3.749 -4.206 O1F  ACX 62  
ACX O2F  O2F  O 0 1 N N N 68.912 86.215 50.217 1.157  -2.484 -6.333 O2F  ACX 63  
ACX O3F  O3F  O 0 1 N N N 68.495 89.130 50.264 -1.550 -3.931 -8.288 O3F  ACX 64  
ACX O5F  O5F  O 0 1 N N N 65.918 86.672 52.206 -1.452 -2.118 -5.205 O5F  ACX 65  
ACX O6F  O6F  O 0 1 N N N 64.028 87.997 54.130 -4.197 -2.383 -5.121 O6F  ACX 66  
ACX H1A  H1A  H 0 1 N N N 70.400 82.386 55.774 2.280  -7.491 -2.339 H1A  ACX 67  
ACX H2A  H2A  H 0 1 N N N 70.433 82.655 53.332 3.489  -5.662 -3.141 H2A  ACX 68  
ACX H3A  H3A  H 0 1 N N N 70.222 85.695 53.932 2.096  -4.588 -4.915 H3A  ACX 69  
ACX H4A  H4A  H 0 1 N N N 68.333 83.837 52.442 -0.405 -5.741 -4.789 H4A  ACX 70  
ACX H5A  H5A  H 0 1 N N N 67.766 85.013 55.168 -0.071 -4.740 -1.916 H5A  ACX 71  
ACX H6A1 1H6A H 0 0 N N N 65.966 84.071 53.371 -2.014 -6.641 -3.251 H6A1 ACX 72  
ACX H6A2 2H6A H 0 0 N N N 66.568 82.529 53.706 -2.319 -4.931 -2.849 H6A2 ACX 73  
ACX HO2A AHO2 H 0 0 N N N 72.424 83.914 53.267 3.151  -3.671 -2.671 HO2A ACX 74  
ACX HO3A AHO3 H 0 0 N N N 70.266 85.658 51.651 2.386  -7.173 -4.417 HO3A ACX 75  
ACX HO6A AHO6 H 0 0 N N N 64.838 83.101 55.190 -2.718 -6.940 -1.307 HO6A ACX 76  
ACX H1B  H1B  H 0 1 N N N 72.016 85.182 60.902 4.909  -4.744 2.120  H1B  ACX 77  
ACX H2B  H2B  H 0 1 N N N 72.644 83.233 59.397 5.636  -6.943 1.384  H2B  ACX 78  
ACX H3B  H3B  H 0 1 N N N 72.345 85.287 57.199 4.513  -6.633 -1.369 H3B  ACX 79  
ACX H4B  H4B  H 0 1 N N N 70.653 82.777 57.538 2.540  -8.239 -0.319 H4B  ACX 80  
ACX H5B  H5B  H 0 1 N N N 69.843 85.663 58.050 1.582  -6.978 1.662  H5B  ACX 81  
ACX H6B1 1H6B H 0 0 N N N 67.869 84.305 57.662 4.146  -8.537 2.146  H6B1 ACX 82  
ACX H6B2 2H6B H 0 0 N N N 68.490 82.947 58.468 2.509  -9.214 1.950  H6B2 ACX 83  
ACX HO2B BHO2 H 0 0 N N N 74.547 84.290 58.631 6.778  -6.224 -0.428 HO2B ACX 84  
ACX HO3B BHO3 H 0 0 N N N 72.679 83.295 55.910 4.715  -8.765 -1.292 HO3B ACX 85  
ACX HO6B BHO6 H 0 0 N N N 66.966 84.126 59.843 2.068  -7.519 3.717  HO6B ACX 86  
ACX H1C  H1C  H 0 1 N N N 72.394 91.299 60.512 2.109  0.601  0.941  H1C  ACX 87  
ACX H2C  H2C  H 0 1 N N N 74.004 89.339 60.716 4.221  -0.370 1.597  H2C  ACX 88  
ACX H3C  H3C  H 0 1 N N N 72.438 88.504 58.147 4.107  -2.196 -0.851 H3C  ACX 89  
ACX H4C  H4C  H 0 1 N N N 72.756 87.177 60.893 3.781  -2.984 2.094  H4C  ACX 90  
ACX H5C  H5C  H 0 1 N N N 70.224 88.423 59.726 1.576  -2.857 -0.047 H5C  ACX 91  
ACX H6C1 1H6C H 0 0 N N N 69.426 88.035 62.088 1.410  -3.486 2.909  H6C1 ACX 92  
ACX H6C2 2H6C H 0 0 N N N 70.006 86.573 61.511 1.210  -4.646 1.570  H6C2 ACX 93  
ACX HO2C CHO2 H 0 0 N N N 75.078 89.830 58.708 4.827  -0.187 -1.033 HO2C ACX 94  
ACX HO3C CHO3 H 0 0 N N N 73.925 86.778 58.273 6.086  -1.415 0.118  HO3C ACX 95  
ACX HO6C CHO6 H 0 0 N N N 71.036 87.151 63.515 -0.265 -2.375 1.252  HO6C ACX 96  
ACX H1D  H1D  H 0 1 N N N 68.960 94.188 56.526 -0.965 1.020  -3.669 H1D  ACX 97  
ACX H2D  H2D  H 0 1 N N N 71.198 94.228 57.647 0.875  2.690  -3.215 H2D  ACX 98  
ACX H3D  H3D  H 0 1 N N N 71.381 91.411 56.457 1.441  2.012  -0.850 H3D  ACX 99  
ACX H4D  H4D  H 0 1 N N N 71.235 92.421 59.352 -0.003 -0.002 -0.001 H4D  ACX 100 
ACX H5D  H5D  H 0 1 N N N 69.254 90.679 57.767 0.102  -1.889 -1.760 H5D  ACX 101 
ACX H6D1 1H6D H 0 0 N N N 67.894 90.706 59.705 -2.158 -1.495 -2.581 H6D1 ACX 102 
ACX H6D2 2H6D H 0 0 N N N 69.440 90.552 60.390 -2.081 0.186  -1.992 H6D2 ACX 103 
ACX HO2D DHO2 H 0 0 N N N 72.418 93.953 55.711 2.562  0.648  -2.404 HO2D ACX 104 
ACX HO3D DHO3 H 0 0 N N N 73.389 91.375 57.714 -0.599 2.965  -1.733 HO3D ACX 105 
ACX HO6D DHO6 H 0 0 N N N 68.246 92.337 61.381 -1.916 -2.229 -0.515 HO6D ACX 106 
ACX H1E  H1E  H 0 1 N N N 66.007 91.096 52.019 -1.450 0.516  -9.023 H1E  ACX 107 
ACX H2E  H2E  H 0 1 N N N 67.432 93.145 52.219 -0.046 2.526  -8.857 H2E  ACX 108 
ACX H3E  H3E  H 0 1 N N N 69.455 91.161 53.487 1.874  1.118  -7.008 H3E  ACX 109 
ACX H4E  H4E  H 0 1 N N N 68.002 93.558 54.680 0.605  2.826  -5.266 H4E  ACX 110 
ACX H5E  H5E  H 0 1 N N N 67.604 90.557 55.256 -1.860 1.997  -5.294 H5E  ACX 111 
ACX H6E1 1H6E H 0 0 N N N 66.586 91.349 57.167 -2.630 3.787  -6.749 H6E1 ACX 112 
ACX H6E2 2H6E H 0 0 N N N 67.007 92.937 56.785 -0.984 3.970  -7.410 H6E2 ACX 113 
ACX HO2E EHO2 H 0 0 N N N 69.108 92.335 50.814 0.548  0.434  -9.933 HO2E ACX 114 
ACX HO3E EHO3 H 0 0 N N N 70.676 93.096 53.652 2.707  2.972  -6.975 HO3E ACX 115 
ACX HO6E EHO6 H 0 0 N N N 64.676 92.661 56.789 -2.019 4.606  -4.901 HO6E ACX 116 
ACX H1F  H1F  H 0 1 N N N 66.880 85.020 51.388 -1.666 -4.128 -5.534 H1F  ACX 117 
ACX H2F  H2F  H 0 1 N N N 67.054 87.046 49.893 0.504  -4.364 -6.785 H2F  ACX 118 
ACX H3F  H3F  H 0 1 N N N 68.965 88.035 52.018 0.055  -2.726 -8.669 H3F  ACX 119 
ACX H4F  H4F  H 0 1 N N N 66.342 89.287 51.151 -2.140 -1.426 -8.448 H4F  ACX 120 
ACX H5F  H5F  H 0 1 N N N 66.649 87.825 53.794 -2.521 -0.620 -6.003 H5F  ACX 121 
ACX H6F1 1H6F H 0 0 N N N 64.767 89.640 53.042 -3.374 -3.439 -6.678 H6F1 ACX 122 
ACX H6F2 2H6F H 0 0 N N N 64.128 88.401 52.066 -4.218 -1.934 -7.124 H6F2 ACX 123 
ACX HO2F FHO2 H 0 0 N N N 69.326 86.749 49.550 1.560  -2.261 -7.186 HO2F ACX 124 
ACX HO3F FHO3 H 0 0 N N N 68.724 89.979 50.623 -1.014 -4.735 -8.362 HO3F ACX 125 
ACX HO6F FHO6 H 0 0 N N N 63.157 88.361 54.237 -3.570 -1.976 -4.498 HO6F ACX 126 
# 
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 
ACX C1A C2A  SING N N 1   
ACX C1A O1A  SING N N 2   
ACX C1A O5A  SING N N 3   
ACX C1A H1A  SING N N 4   
ACX C2A C3A  SING N N 5   
ACX C2A O2A  SING N N 6   
ACX C2A H2A  SING N N 7   
ACX C3A C4A  SING N N 8   
ACX C3A O3A  SING N N 9   
ACX C3A H3A  SING N N 10  
ACX C4A C5A  SING N N 11  
ACX C4A O1F  SING N N 12  
ACX C4A H4A  SING N N 13  
ACX C5A C6A  SING N N 14  
ACX C5A O5A  SING N N 15  
ACX C5A H5A  SING N N 16  
ACX C6A O6A  SING N N 17  
ACX C6A H6A1 SING N N 18  
ACX C6A H6A2 SING N N 19  
ACX O1A C4B  SING N N 20  
ACX O2A HO2A SING N N 21  
ACX O3A HO3A SING N N 22  
ACX O6A HO6A SING N N 23  
ACX C1B C2B  SING N N 24  
ACX C1B O1B  SING N N 25  
ACX C1B O5B  SING N N 26  
ACX C1B H1B  SING N N 27  
ACX C2B C3B  SING N N 28  
ACX C2B O2B  SING N N 29  
ACX C2B H2B  SING N N 30  
ACX C3B C4B  SING N N 31  
ACX C3B O3B  SING N N 32  
ACX C3B H3B  SING N N 33  
ACX C4B C5B  SING N N 34  
ACX C4B H4B  SING N N 35  
ACX C5B C6B  SING N N 36  
ACX C5B O5B  SING N N 37  
ACX C5B H5B  SING N N 38  
ACX C6B O6B  SING N N 39  
ACX C6B H6B1 SING N N 40  
ACX C6B H6B2 SING N N 41  
ACX O1B C4C  SING N N 42  
ACX O2B HO2B SING N N 43  
ACX O3B HO3B SING N N 44  
ACX O6B HO6B SING N N 45  
ACX C1C C2C  SING N N 46  
ACX C1C O1C  SING N N 47  
ACX C1C O5C  SING N N 48  
ACX C1C H1C  SING N N 49  
ACX C2C C3C  SING N N 50  
ACX C2C O2C  SING N N 51  
ACX C2C H2C  SING N N 52  
ACX C3C C4C  SING N N 53  
ACX C3C O3C  SING N N 54  
ACX C3C H3C  SING N N 55  
ACX C4C C5C  SING N N 56  
ACX C4C H4C  SING N N 57  
ACX C5C C6C  SING N N 58  
ACX C5C O5C  SING N N 59  
ACX C5C H5C  SING N N 60  
ACX C6C O6C  SING N N 61  
ACX C6C H6C1 SING N N 62  
ACX C6C H6C2 SING N N 63  
ACX O1C C4D  SING N N 64  
ACX O2C HO2C SING N N 65  
ACX O3C HO3C SING N N 66  
ACX O6C HO6C SING N N 67  
ACX C1D C2D  SING N N 68  
ACX C1D O1D  SING N N 69  
ACX C1D O5D  SING N N 70  
ACX C1D H1D  SING N N 71  
ACX C2D C3D  SING N N 72  
ACX C2D O2D  SING N N 73  
ACX C2D H2D  SING N N 74  
ACX C3D C4D  SING N N 75  
ACX C3D O3D  SING N N 76  
ACX C3D H3D  SING N N 77  
ACX C4D C5D  SING N N 78  
ACX C4D H4D  SING N N 79  
ACX C5D C6D  SING N N 80  
ACX C5D O5D  SING N N 81  
ACX C5D H5D  SING N N 82  
ACX C6D O6D  SING N N 83  
ACX C6D H6D1 SING N N 84  
ACX C6D H6D2 SING N N 85  
ACX O1D C4E  SING N N 86  
ACX O2D HO2D SING N N 87  
ACX O3D HO3D SING N N 88  
ACX O6D HO6D SING N N 89  
ACX C1E C2E  SING N N 90  
ACX C1E O1E  SING N N 91  
ACX C1E O5E  SING N N 92  
ACX C1E H1E  SING N N 93  
ACX C2E C3E  SING N N 94  
ACX C2E O2E  SING N N 95  
ACX C2E H2E  SING N N 96  
ACX C3E C4E  SING N N 97  
ACX C3E O3E  SING N N 98  
ACX C3E H3E  SING N N 99  
ACX C4E C5E  SING N N 100 
ACX C4E H4E  SING N N 101 
ACX C5E C6E  SING N N 102 
ACX C5E O5E  SING N N 103 
ACX C5E H5E  SING N N 104 
ACX C6E O6E  SING N N 105 
ACX C6E H6E1 SING N N 106 
ACX C6E H6E2 SING N N 107 
ACX O1E C4F  SING N N 108 
ACX O2E HO2E SING N N 109 
ACX O3E HO3E SING N N 110 
ACX O6E HO6E SING N N 111 
ACX C1F C2F  SING N N 112 
ACX C1F O1F  SING N N 113 
ACX C1F O5F  SING N N 114 
ACX C1F H1F  SING N N 115 
ACX C2F C3F  SING N N 116 
ACX C2F O2F  SING N N 117 
ACX C2F H2F  SING N N 118 
ACX C3F C4F  SING N N 119 
ACX C3F O3F  SING N N 120 
ACX C3F H3F  SING N N 121 
ACX C4F C5F  SING N N 122 
ACX C4F H4F  SING N N 123 
ACX C5F C6F  SING N N 124 
ACX C5F O5F  SING N N 125 
ACX C5F H5F  SING N N 126 
ACX C6F O6F  SING N N 127 
ACX C6F H6F1 SING N N 128 
ACX C6F H6F2 SING N N 129 
ACX O2F HO2F SING N N 130 
ACX O3F HO3F SING N N 131 
ACX O6F HO6F SING N N 132 
# 
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 
ACX SMILES           ACDLabs              10.04 O1C7C(O)C(O)C(OC6C(O)C(O)C(OC5C(O)C(O)C(OC4C(O)C(O)C(OC3C(O)C(O)C(OC2C(OC1C(O)C2O)CO)OC3CO)OC4CO)OC5CO)OC6CO)OC7CO 
ACX InChI            InChI                1.02b 
;InChI=1/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,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-/m1/s1
;
ACX InChIKey         InChI                1.02b HFHDHCJBZVLPGP-RWMJIURBBY 
ACX SMILES_CANONICAL CACTVS               3.341 
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]1[C@H](O)[C@H]2O 
ACX SMILES           CACTVS               3.341 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]1[CH](O)[CH]2O 
ACX SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 
;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](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O
;
ACX SMILES           "OpenEye OEToolkits" 1.5.0 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(O2)C(C7O)O)CO)CO)CO)CO)CO)O)O)O 
# 
_pdbx_chem_comp_identifier.comp_id           ACX 
_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        
;(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol (non-preferred name)
;
# 
