data_NTP
# 
_chem_comp.id                                    NTP 
_chem_comp.name                                  "HEPARIN PENTASACCHARIDE" 
_chem_comp.type                                  SACCHARIDE 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C36 H60 O55 S9" 
_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                        1661.414 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     NTP 
_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        1E03 
_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 
NTP O10  O10  O 0 1 N N N 53.712 -3.021 -8.830  -0.345 1.598  -10.639 O10  NTP 1   
NTP C11  C11  C 0 1 N N N 52.310 -3.248 -8.954  -0.804 1.370  -11.973 C11  NTP 2   
NTP C12  C12  C 0 1 N N R 54.145 -1.800 -9.431  0.156  0.351  -10.156 C12  NTP 3   
NTP C13  C13  C 0 1 N N R 54.807 -2.104 -10.784 -0.530 0.000  -8.834  C13  NTP 4   
NTP O14  O14  O 0 1 N N N 55.176 -0.856 -11.417 -0.053 -1.257 -8.361  O14  NTP 5   
NTP C15  C15  C 0 1 N N N 53.806 -2.803 -11.734 -2.042 -0.078 -9.053  C15  NTP 6   
NTP O16  O16  O 0 1 N N N 53.824 -2.078 -12.963 -2.319 -0.948 -10.153 O16  NTP 7   
NTP S17  S17  S 0 1 N N N 52.496 -2.092 -13.858 -3.832 -0.994 -10.307 S17  NTP 8   
NTP O18  O18  O 0 1 N N N 52.107 -0.725 -13.969 -4.226 0.122  -11.263 O18  NTP 9   
NTP O19  O19  O 0 1 N N N 51.546 -2.899 -13.167 -4.114 -2.206 -10.993 O19  NTP 10  
NTP O1A  O1A  O 0 1 N N N 52.927 -2.627 -15.103 -4.361 -0.623 -9.041  O1A  NTP 11  
NTP C1B  C1B  C 0 1 N N S 55.171 -1.076 -8.552  1.667  0.461  -9.920  C1B  NTP 12  
NTP O1C  O1C  O 0 1 N N N 54.590 -0.794 -7.283  2.336  0.641  -11.170 O1C  NTP 13  
NTP C1D  C1D  C 0 1 N N N 55.260 -1.470 -6.218  3.511  1.408  -10.902 C1D  NTP 14  
NTP C1E  C1E  C 0 1 N N R 55.583 0.229  -9.276  2.153  -0.829 -9.254  C1E  NTP 15  
NTP O1F  O1F  O 0 1 N N N 56.662 0.852  -8.554  3.528  -0.692 -8.891  O1F  NTP 16  
NTP S1G  S1G  S 0 1 N N N 56.257 2.134  -7.664  4.181  -2.047 -9.120  S1G  NTP 17  
NTP O1H  O1H  O 0 1 N N N 55.243 1.651  -6.789  5.529  -1.904 -8.692  O1H  NTP 18  
NTP O1I  O1I  O 0 1 N N N 55.780 3.108  -8.597  4.247  -2.273 -10.624 O1I  NTP 19  
NTP O1J  O1J  O 0 1 N N N 57.463 2.502  -6.989  3.259  -3.009 -8.625  O1J  NTP 20  
NTP C1K  C1K  C 0 1 N N R 56.152 -0.125 -10.670 1.316  -1.091 -8.000  C1K  NTP 21  
NTP O1L  O1L  O 0 1 N N N 57.294 -0.943 -10.404 1.441  0.015  -7.105  O1L  NTP 22  
NTP C20  C20  C 0 1 N N S 58.435 -0.842 -11.259 0.754  -0.343 -5.905  C20  NTP 23  
NTP C21  C21  C 0 1 N N S 59.192 -2.207 -11.201 0.387  0.922  -5.127  C21  NTP 24  
NTP O22  O22  O 0 1 N N N 60.397 -2.145 -11.960 -0.323 0.571  -3.941  O22  NTP 25  
NTP C23  C23  C 0 1 N N N 58.265 -3.315 -11.774 -0.479 1.803  -5.989  C23  NTP 26  
NTP O24  O24  O 0 1 N N N 58.095 -3.428 -13.018 -1.667 1.873  -5.779  O24  NTP 27  
NTP O25  O25  O 0 1 N N N 57.490 -3.931 -11.003 0.067  2.512  -6.989  O25  NTP 28  
NTP C26  C26  C 0 1 N N S 59.383 0.272  -10.781 1.663  -1.218 -5.034  C26  NTP 29  
NTP O27  O27  O 0 1 N N N 58.743 1.546  -10.743 1.894  -2.468 -5.687  O27  NTP 30  
NTP C28  C28  C 0 1 N N N 59.565 2.620  -11.209 3.188  -2.915 -5.278  C28  NTP 31  
NTP C29  C29  C 0 1 N N R 60.578 0.288  -11.731 0.968  -1.457 -3.689  C29  NTP 32  
NTP O2A  O2A  O 0 1 N N N 61.468 1.329  -11.367 1.857  -2.146 -2.807  O2A  NTP 33  
NTP C2B  C2B  C 0 1 N N N 62.097 1.946  -12.486 1.045  -2.938 -1.938  C2B  NTP 34  
NTP C2C  C2C  C 0 1 N N R 61.294 -1.073 -11.683 0.586  -0.107 -3.078  C2C  NTP 35  
NTP O2D  O2D  O 0 1 N N N 62.321 -1.032 -12.682 -0.032 -0.319 -1.807  O2D  NTP 36  
NTP C30  C30  C 0 1 N N R 63.336 -2.033 -12.688 -0.020 0.937  -1.128  C30  NTP 37  
NTP C31  C31  C 0 1 N N R 64.691 -1.338 -12.430 0.820  0.823  0.145   C31  NTP 38  
NTP O32  O32  O 0 1 N N N 65.788 -2.256 -12.488 0.859  2.082  0.813   O32  NTP 39  
NTP C33  C33  C 0 1 N N N 64.696 -0.691 -11.029 2.243  0.398  -0.223  C33  NTP 40  
NTP O34  O34  O 0 1 N N N 64.206 -1.648 -10.083 3.001  0.187  0.969   O34  NTP 41  
NTP S35  S35  S 0 1 N N N 64.078 -1.158 -8.538  4.398  -0.230 0.534   S35  NTP 42  
NTP O36  O36  O 0 1 N N N 62.675 -1.035 -8.292  4.953  -0.931 1.639   O36  NTP 43  
NTP O37  O37  O 0 1 N N N 64.754 0.096  -8.471  5.228  1.037  0.390   O37  NTP 44  
NTP O38  O38  O 0 1 N N N 64.702 -2.192 -7.775  4.254  -0.749 -0.780  O38  NTP 45  
NTP C39  C39  C 0 1 N N S 63.419 -2.740 -14.041 -1.452 1.330  -0.747  C39  NTP 46  
NTP O3A  O3A  O 0 1 N N N 62.220 -3.406 -14.370 -2.210 1.585  -1.931  O3A  NTP 47  
NTP S3B  S3B  S 0 1 N N N 61.673 -3.015 -15.844 -3.356 0.584  -1.944  S3B  NTP 48  
NTP O3C  O3C  O 0 1 N N N 62.713 -3.414 -16.727 -4.074 0.833  -3.145  O3C  NTP 49  
NTP O3D  O3D  O 0 1 N N N 60.455 -3.724 -15.975 -4.301 0.959  -0.811  O3D  NTP 50  
NTP O3E  O3E  O 0 1 N N N 61.514 -1.597 -15.793 -2.784 -0.662 -1.572  O3E  NTP 51  
NTP C3F  C3F  C 0 1 N N R 64.580 -3.725 -14.002 -1.399 2.595  0.115   C3F  NTP 52  
NTP O3G  O3G  O 0 1 N N N 64.550 -4.691 -15.017 -2.708 2.895  0.603   O3G  NTP 53  
NTP S3H  S3H  S 0 1 N N N 65.852 -5.582 -15.384 -2.950 4.373  0.332   S3H  NTP 54  
NTP O3I  O3I  O 0 1 N N N 66.600 -4.754 -16.274 -3.115 4.539  -1.171  O3I  NTP 55  
NTP O3J  O3J  O 0 1 N N N 65.367 -6.767 -15.997 -4.222 4.666  0.895   O3J  NTP 56  
NTP O3K  O3K  O 0 1 N N N 66.531 -5.845 -14.153 -1.734 5.030  0.662   O3K  NTP 57  
NTP C3L  C3L  C 0 1 N N R 65.897 -2.982 -13.753 -0.455 2.356  1.295   C3L  NTP 58  
NTP O3M  O3M  O 0 1 N N N 66.200 -2.057 -14.811 -0.922 1.242  2.059   O3M  NTP 59  
NTP C40  C40  C 0 1 N N S 67.233 -1.080 -14.563 -1.119 1.711  3.395   C40  NTP 60  
NTP C41  C41  C 0 1 N N R 66.909 0.179  -15.416 0.121  1.398  4.235   C41  NTP 61  
NTP O42  O42  O 0 1 N N N 67.145 -0.139 -16.792 0.363  -0.006 4.235   O42  NTP 62  
NTP C43  C43  C 0 1 N N N 65.437 0.615  -15.303 1.312  2.113  3.652   C43  NTP 63  
NTP O44  O44  O 0 1 N N N 65.195 1.740  -14.783 2.253  1.479  3.237   O44  NTP 64  
NTP O45  O45  O 0 1 N N N 64.653 0.229  -16.221 1.328  3.454  3.594   O45  NTP 65  
NTP C46  C46  C 0 1 N N S 68.593 -1.674 -15.016 -2.332 1.007  4.014   C46  NTP 66  
NTP O47  O47  O 0 1 N N N 69.362 -2.095 -13.910 -2.615 1.576  5.294   O47  NTP 67  
NTP C48  C48  C 0 1 N N N 69.493 -3.509 -13.851 -4.024 1.452  5.498   C48  NTP 68  
NTP C49  C49  C 0 1 N N R 69.390 -0.640 -15.857 -2.007 -0.481 4.169   C49  NTP 69  
NTP O4A  O4A  O 0 1 N N N 70.623 -1.241 -16.279 -1.863 -1.076 2.878   O4A  NTP 70  
NTP S4B  S4B  S 0 1 N N N 72.010 -0.401 -16.193 -2.660 -2.373 2.901   S4B  NTP 71  
NTP O4C  O4C  O 0 1 N N N 71.780 0.846  -16.859 -4.134 -1.999 2.966   O4C  NTP 72  
NTP O4D  O4D  O 0 1 N N N 72.279 -0.249 -14.798 -2.468 -2.966 1.624   O4D  NTP 73  
NTP O4E  O4E  O 0 1 N N N 72.968 -1.231 -16.866 -2.362 -2.987 4.147   O4E  NTP 74  
NTP C4F  C4F  C 0 1 N N R 68.530 -0.248 -17.098 -0.700 -0.628 4.952   C4F  NTP 75  
NTP O4G  O4G  O 0 1 N N N 68.982 0.986  -17.638 -0.839 -0.006 6.231   O4G  NTP 76  
NTP C50  C50  C 0 1 N N R 68.647 1.224  -19.009 0.060  -0.675 7.116   C50  NTP 77  
NTP C51  C51  C 0 1 N N R 69.775 0.751  -19.917 -0.732 -1.358 8.232   C51  NTP 78  
NTP O52  O52  O 0 1 N N N 69.602 1.087  -21.287 0.159  -2.052 9.103   O52  NTP 79  
NTP C53  C53  C 0 1 N N N 70.041 -0.753 -19.817 -1.718 -2.353 7.617   C53  NTP 80  
NTP O54  O54  O 0 1 N N N 69.187 -1.466 -20.708 -2.542 -2.905 8.646   O54  NTP 81  
NTP S55  S55  S 0 1 N N N 69.206 -3.085 -20.564 -3.496 -3.880 7.971   S55  NTP 82  
NTP O56  O56  O 0 1 N N N 68.508 -3.342 -19.341 -4.607 -4.004 8.848   O56  NTP 83  
NTP O57  O57  O 0 1 N N N 70.589 -3.429 -20.500 -3.563 -3.475 6.611   O57  NTP 84  
NTP O58  O58  O 0 1 N N N 68.546 -3.589 -21.721 -2.820 -5.244 7.963   O58  NTP 85  
NTP C59  C59  C 0 1 N N S 68.327 2.707  -19.211 1.022  0.343  7.738   C59  NTP 86  
NTP O5A  O5A  O 0 1 N N N 67.144 3.021  -18.461 1.872  0.881  6.724   O5A  NTP 87  
NTP S5B  S5B  S 0 1 N N N 67.140 4.195  -17.357 1.904  2.389  6.931   S5B  NTP 88  
NTP O5C  O5C  O 0 1 N N N 67.960 3.712  -16.303 2.738  2.903  5.902   O5C  NTP 89  
NTP O5D  O5D  O 0 1 N N N 65.773 4.326  -16.974 2.643  2.654  8.235   O5D  NTP 90  
NTP O5E  O5E  O 0 1 N N N 67.646 5.364  -17.996 0.556  2.774  7.166   O5E  NTP 91  
NTP C5F  C5F  C 0 1 N N R 68.047 2.905  -20.712 1.868  -0.368 8.799   C5F  NTP 92  
NTP O5G  O5G  O 0 1 N N N 67.629 4.230  -21.017 2.668  0.590  9.494   O5G  NTP 93  
NTP S5H  S5H  S 0 1 N N N 66.269 4.363  -21.897 4.087  0.039  9.526   S5H  NTP 94  
NTP O5I  O5I  O 0 1 N N N 65.229 4.364  -20.924 4.637  0.118  8.109   O5I  NTP 95  
NTP O5J  O5J  O 0 1 N N N 66.261 3.212  -22.728 4.845  0.969  10.287  O5J  NTP 96  
NTP O5K  O5K  O 0 1 N N N 66.382 5.576  -22.633 3.956  -1.346 9.813   O5K  NTP 97  
NTP C5L  C5L  C 0 1 N N S 69.217 2.427  -21.579 0.939  -1.074 9.789   C5L  NTP 98  
NTP O5M  O5M  O 0 1 N N N 70.312 3.319  -21.587 0.072  -0.114 10.395  O5M  NTP 99  
NTP C5N  C5N  C 0 1 N N N 70.715 3.715  -22.897 -0.763 -0.829 11.306  C5N  NTP 100 
NTP H111 1H11 H 0 0 N N N 51.971 -4.201 -8.484  -1.275 2.275  -12.355 H111 NTP 101 
NTP H112 2H11 H 0 0 N N N 51.732 -2.383 -8.551  0.040  1.104  -12.608 H112 NTP 102 
NTP H113 3H11 H 0 0 N N N 51.994 -3.200 -10.022 -1.529 0.555  -11.973 H113 NTP 103 
NTP H12  H12  H 0 1 N N N 53.249 -1.147 -9.558  -0.041 -0.430 -10.889 H12  NTP 104 
NTP H13  H13  H 0 1 N N N 55.691 -2.757 -10.600 -0.311 0.772  -8.096  H13  NTP 105 
NTP H151 1H15 H 0 0 N N N 54.011 -3.891 -11.863 -2.520 -0.466 -8.154  H151 NTP 106 
NTP H152 2H15 H 0 0 N N N 52.784 -2.902 -11.298 -2.430 0.916  -9.271  H152 NTP 107 
NTP HO8  HO8  H 0 1 N N N 51.319 -0.733 -14.499 -5.188 0.085  -11.355 HO8  NTP 108 
NTP H1B  H1B  H 0 1 N N N 56.073 -1.708 -8.385  1.875  1.309  -9.268  H1B  NTP 109 
NTP H1D1 1H1D H 0 0 N N N 54.805 -1.249 -5.224  4.057  1.572  -11.831 H1D1 NTP 110 
NTP H1D2 2H1D H 0 0 N N N 55.306 -2.568 -6.404  3.228  2.369  -10.473 H1D2 NTP 111 
NTP H1D3 3H1D H 0 0 N N N 56.351 -1.242 -6.220  4.145  0.868  -10.199 H1D3 NTP 112 
NTP H1E  H1E  H 0 1 N N N 54.693 0.897  -9.346  2.041  -1.662 -9.948  H1E  NTP 113 
NTP HO1  HO1  H 0 1 N N N 55.541 3.863  -8.072  4.663  -3.135 -10.759 HO1  NTP 114 
NTP H1K  H1K  H 0 1 N N N 56.418 0.778  -11.267 1.674  -1.996 -7.508  H1K  NTP 115 
NTP H20  H20  H 0 1 N N N 58.103 -0.600 -12.295 -0.151 -0.894 -6.154  H20  NTP 116 
NTP H21  H21  H 0 1 N N N 59.457 -2.437 -10.143 1.296  1.459  -4.859  H21  NTP 117 
NTP H25  H25  H 0 1 N N N 56.923 -4.608 -11.353 -0.496 3.022  -7.586  H25  NTP 118 
NTP H26  H26  H 0 1 N N N 59.708 0.064  -9.735  2.613  -0.710 -4.871  H26  NTP 119 
NTP H281 1H28 H 0 0 N N N 59.064 3.616  -11.179 3.409  -3.871 -5.753  H281 NTP 120 
NTP H282 2H28 H 0 0 N N N 60.528 2.648  -10.649 3.937  -2.180 -5.573  H282 NTP 121 
NTP H283 3H28 H 0 0 N N N 59.949 2.404  -12.233 3.205  -3.035 -4.194  H283 NTP 122 
NTP H29  H29  H 0 1 N N N 60.222 0.471  -12.771 0.071  -2.057 -3.843  H29  NTP 123 
NTP H2B1 1H2B H 0 0 N N N 62.797 2.765  -12.199 1.683  -3.485 -1.243  H2B1 NTP 124 
NTP H2B2 2H2B H 0 0 N N N 62.612 1.187  -13.119 0.372  -2.289 -1.378  H2B2 NTP 125 
NTP H2B3 3H2B H 0 0 N N N 61.337 2.310  -13.216 0.462  -3.644 -2.528  H2B3 NTP 126 
NTP H2C  H2C  H 0 1 N N N 61.711 -1.250 -10.664 1.483  0.498  -2.948  H2C  NTP 127 
NTP H30  H30  H 0 1 N N N 63.095 -2.789 -11.905 0.405  1.700  -1.779  H30  NTP 128 
NTP H31  H31  H 0 1 N N N 64.814 -0.570 -13.229 0.378  0.076  0.805   H31  NTP 129 
NTP H331 1H33 H 0 0 N N N 65.696 -0.286 -10.748 2.208  -0.525 -0.800  H331 NTP 130 
NTP H332 2H33 H 0 0 N N N 64.128 0.268  -10.999 2.713  1.181  -0.818  H332 NTP 131 
NTP HO7  HO7  H 0 1 N N N 64.679 0.382  -7.568  6.113  0.762  0.114   HO7  NTP 132 
NTP H39  H39  H 0 1 N N N 63.585 -1.972 -14.832 -1.916 0.521  -0.183  H39  NTP 133 
NTP HO3D DHO3 H 0 0 N N N 60.134 -3.494 -16.839 -5.025 0.318  -0.827  HO3D NTP 134 
NTP H3F  H3F  H 0 1 N N N 64.465 -4.392 -13.116 -1.032 3.429  -0.482  H3F  NTP 135 
NTP HO3I IHO3 H 0 0 N N N 67.363 -5.276 -16.489 -3.267 5.480  -1.333  HO3I NTP 136 
NTP H3L  H3L  H 0 1 N N N 66.722 -3.730 -13.714 -0.432 3.244  1.926   H3L  NTP 137 
NTP H40  H40  H 0 1 N N N 67.283 -0.812 -13.481 -1.289 2.787  3.382   H40  NTP 138 
NTP H41  H41  H 0 1 N N N 67.554 1.007  -15.040 -0.040 1.738  5.259   H41  NTP 139 
NTP H45  H45  H 0 1 N N N 63.744 0.498  -16.151 2.093  3.913  3.219   H45  NTP 140 
NTP H46  H46  H 0 1 N N N 68.377 -2.565 -15.650 -3.196 1.127  3.361   H46  NTP 141 
NTP H481 1H48 H 0 0 N N N 70.100 -3.841 -12.977 -4.289 1.875  6.467   H481 NTP 142 
NTP H482 2H48 H 0 0 N N N 68.495 -4.006 -13.860 -4.554 1.987  4.711   H482 NTP 143 
NTP H483 3H48 H 0 0 N N N 69.903 -3.915 -14.804 -4.303 0.399  5.473   H483 NTP 144 
NTP H49  H49  H 0 1 N N N 69.614 0.272  -15.256 -2.813 -0.975 4.711   H49  NTP 145 
NTP HO4  HO4  H 0 1 N N N 72.591 1.337  -16.808 -4.632 -2.828 2.980   HO4  NTP 146 
NTP H4F  H4F  H 0 1 N N N 68.653 -1.068 -17.843 -0.476 -1.687 5.087   H4F  NTP 147 
NTP H50  H50  H 0 1 N N N 67.737 0.639  -19.282 0.629  -1.422 6.562   H50  NTP 148 
NTP H51  H51  H 0 1 N N N 70.658 1.310  -19.528 -1.281 -0.607 8.799   H51  NTP 149 
NTP H531 1H53 H 0 0 N N N 71.115 -0.997 -19.985 -2.344 -1.840 6.887   H531 NTP 150 
NTP H532 2H53 H 0 0 N N N 69.950 -1.122 -18.769 -1.167 -3.154 7.125   H532 NTP 151 
NTP H58  H58  H 0 1 N N N 68.557 -4.535 -21.636 -3.433 -5.857 7.533   H58  NTP 152 
NTP H59  H59  H 0 1 N N N 69.165 3.360  -18.874 0.453  1.147  8.204   H59  NTP 153 
NTP HO5D DHO5 H 0 0 N N N 65.770 5.018  -16.323 2.657  3.613  8.358   HO5D NTP 154 
NTP H5F  H5F  H 0 1 N N N 67.181 2.252  -20.971 2.515  -1.102 8.318   H5F  NTP 155 
NTP HO5I IHO5 H 0 0 N N N 64.434 4.441  -21.438 5.537  -0.232 8.139   HO5I NTP 156 
NTP H5L  H5L  H 0 1 N N N 68.831 2.423  -22.625 1.535  -1.562 10.560  H5L  NTP 157 
NTP H5N1 1H5N H 0 0 N N N 71.579 4.419  -22.903 -1.445 -0.134 11.796  H5N1 NTP 158 
NTP H5N2 2H5N H 0 0 N N N 70.928 2.822  -23.530 -1.337 -1.579 10.761  H5N2 NTP 159 
NTP H5N3 3H5N H 0 0 N N N 69.854 4.142  -23.462 -0.145 -1.321 12.057  H5N3 NTP 160 
# 
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 
NTP O10 C11  SING N N 1   
NTP O10 C12  SING N N 2   
NTP C11 H111 SING N N 3   
NTP C11 H112 SING N N 4   
NTP C11 H113 SING N N 5   
NTP C12 C13  SING N N 6   
NTP C12 C1B  SING N N 7   
NTP C12 H12  SING N N 8   
NTP C13 O14  SING N N 9   
NTP C13 C15  SING N N 10  
NTP C13 H13  SING N N 11  
NTP O14 C1K  SING N N 12  
NTP C15 O16  SING N N 13  
NTP C15 H151 SING N N 14  
NTP C15 H152 SING N N 15  
NTP O16 S17  SING N N 16  
NTP S17 O18  SING N N 17  
NTP S17 O19  DOUB N N 18  
NTP S17 O1A  DOUB N N 19  
NTP O18 HO8  SING N N 20  
NTP C1B O1C  SING N N 21  
NTP C1B C1E  SING N N 22  
NTP C1B H1B  SING N N 23  
NTP O1C C1D  SING N N 24  
NTP C1D H1D1 SING N N 25  
NTP C1D H1D2 SING N N 26  
NTP C1D H1D3 SING N N 27  
NTP C1E O1F  SING N N 28  
NTP C1E C1K  SING N N 29  
NTP C1E H1E  SING N N 30  
NTP O1F S1G  SING N N 31  
NTP S1G O1H  DOUB N N 32  
NTP S1G O1I  SING N N 33  
NTP S1G O1J  DOUB N N 34  
NTP O1I HO1  SING N N 35  
NTP C1K O1L  SING N N 36  
NTP C1K H1K  SING N N 37  
NTP O1L C20  SING N N 38  
NTP C20 C21  SING N N 39  
NTP C20 C26  SING N N 40  
NTP C20 H20  SING N N 41  
NTP C21 O22  SING N N 42  
NTP C21 C23  SING N N 43  
NTP C21 H21  SING N N 44  
NTP O22 C2C  SING N N 45  
NTP C23 O24  DOUB N N 46  
NTP C23 O25  SING N N 47  
NTP O25 H25  SING N N 48  
NTP C26 O27  SING N N 49  
NTP C26 C29  SING N N 50  
NTP C26 H26  SING N N 51  
NTP O27 C28  SING N N 52  
NTP C28 H281 SING N N 53  
NTP C28 H282 SING N N 54  
NTP C28 H283 SING N N 55  
NTP C29 O2A  SING N N 56  
NTP C29 C2C  SING N N 57  
NTP C29 H29  SING N N 58  
NTP O2A C2B  SING N N 59  
NTP C2B H2B1 SING N N 60  
NTP C2B H2B2 SING N N 61  
NTP C2B H2B3 SING N N 62  
NTP C2C O2D  SING N N 63  
NTP C2C H2C  SING N N 64  
NTP O2D C30  SING N N 65  
NTP C30 C31  SING N N 66  
NTP C30 C39  SING N N 67  
NTP C30 H30  SING N N 68  
NTP C31 O32  SING N N 69  
NTP C31 C33  SING N N 70  
NTP C31 H31  SING N N 71  
NTP O32 C3L  SING N N 72  
NTP C33 O34  SING N N 73  
NTP C33 H331 SING N N 74  
NTP C33 H332 SING N N 75  
NTP O34 S35  SING N N 76  
NTP S35 O36  DOUB N N 77  
NTP S35 O37  SING N N 78  
NTP S35 O38  DOUB N N 79  
NTP O37 HO7  SING N N 80  
NTP C39 O3A  SING N N 81  
NTP C39 C3F  SING N N 82  
NTP C39 H39  SING N N 83  
NTP O3A S3B  SING N N 84  
NTP S3B O3C  DOUB N N 85  
NTP S3B O3D  SING N N 86  
NTP S3B O3E  DOUB N N 87  
NTP O3D HO3D SING N N 88  
NTP C3F O3G  SING N N 89  
NTP C3F C3L  SING N N 90  
NTP C3F H3F  SING N N 91  
NTP O3G S3H  SING N N 92  
NTP S3H O3I  SING N N 93  
NTP S3H O3J  DOUB N N 94  
NTP S3H O3K  DOUB N N 95  
NTP O3I HO3I SING N N 96  
NTP C3L O3M  SING N N 97  
NTP C3L H3L  SING N N 98  
NTP O3M C40  SING N N 99  
NTP C40 C41  SING N N 100 
NTP C40 C46  SING N N 101 
NTP C40 H40  SING N N 102 
NTP C41 O42  SING N N 103 
NTP C41 C43  SING N N 104 
NTP C41 H41  SING N N 105 
NTP O42 C4F  SING N N 106 
NTP C43 O44  DOUB N N 107 
NTP C43 O45  SING N N 108 
NTP O45 H45  SING N N 109 
NTP C46 O47  SING N N 110 
NTP C46 C49  SING N N 111 
NTP C46 H46  SING N N 112 
NTP O47 C48  SING N N 113 
NTP C48 H481 SING N N 114 
NTP C48 H482 SING N N 115 
NTP C48 H483 SING N N 116 
NTP C49 O4A  SING N N 117 
NTP C49 C4F  SING N N 118 
NTP C49 H49  SING N N 119 
NTP O4A S4B  SING N N 120 
NTP S4B O4C  SING N N 121 
NTP S4B O4D  DOUB N N 122 
NTP S4B O4E  DOUB N N 123 
NTP O4C HO4  SING N N 124 
NTP C4F O4G  SING N N 125 
NTP C4F H4F  SING N N 126 
NTP O4G C50  SING N N 127 
NTP C50 C51  SING N N 128 
NTP C50 C59  SING N N 129 
NTP C50 H50  SING N N 130 
NTP C51 O52  SING N N 131 
NTP C51 C53  SING N N 132 
NTP C51 H51  SING N N 133 
NTP O52 C5L  SING N N 134 
NTP C53 O54  SING N N 135 
NTP C53 H531 SING N N 136 
NTP C53 H532 SING N N 137 
NTP O54 S55  SING N N 138 
NTP S55 O56  DOUB N N 139 
NTP S55 O57  DOUB N N 140 
NTP S55 O58  SING N N 141 
NTP O58 H58  SING N N 142 
NTP C59 O5A  SING N N 143 
NTP C59 C5F  SING N N 144 
NTP C59 H59  SING N N 145 
NTP O5A S5B  SING N N 146 
NTP S5B O5C  DOUB N N 147 
NTP S5B O5D  SING N N 148 
NTP S5B O5E  DOUB N N 149 
NTP O5D HO5D SING N N 150 
NTP C5F O5G  SING N N 151 
NTP C5F C5L  SING N N 152 
NTP C5F H5F  SING N N 153 
NTP O5G S5H  SING N N 154 
NTP S5H O5I  SING N N 155 
NTP S5H O5J  DOUB N N 156 
NTP S5H O5K  DOUB N N 157 
NTP O5I HO5I SING N N 158 
NTP C5L O5M  SING N N 159 
NTP C5L H5L  SING N N 160 
NTP O5M C5N  SING N N 161 
NTP C5N H5N1 SING N N 162 
NTP C5N H5N2 SING N N 163 
NTP C5N H5N3 SING N N 164 
# 
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 
NTP SMILES           ACDLabs              10.04 O=S(=O)(OC5C(OC)C(OC)C(OC5OC1C(OC)C(OC)C(OC1C(=O)O)OC4C(OC(OC3C(OC)C(OS(=O)(=O)O)C(OC2C(OS(=O)(=O)O)C(OS(=O)(=O)O)C(OC)OC2COS(=O)(=O)O)OC3C(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)O 
NTP InChI            InChI                1.02b 
;InChI=1/C36H60O55S9/c1-68-13-10(7-74-92(41,42)43)78-34(26(16(13)69-2)88-97(56,57)58)82-19-17(70-3)25(72-5)33(84-23(19)30(37)38)80-15-12(9-76-94(47,48)49)79-35(29(91-100(65,66)67)22(15)87-96(53,54)55)83-20-18(71-4)27(89-98(59,60)61)36(85-24(20)31(39)40)81-14-11(8-75-93(44,45)46)77-32(73-6)28(90-99(62,63)64)21(14)86-95(50,51)52/h10-29,32-36H,7-9H2,1-6H3,(H,37,38)(H,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)/t10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24-,25-,26-,27-,28-,29-,32+,33-,34-,35-,36-/m1/s1/f/h37,39,41,44,47,50,53,56,59,62,65H
;
NTP InChIKey         InChI                1.02b MQLWHPBUPXUQHM-WAKDLVMGDW 
NTP SMILES_CANONICAL CACTVS               3.341 
;CO[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](CO[S](O)(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](CO[S](O)(=O)=O)[C@@H](OC)[C@H](OC)[C@H]5O[S](O)(=O)=O)[C@H](OC)[C@H]4OC)C(O)=O)[C@H](O[S](O)(=O)=O)[C@H]3O[S](O)(=O)=O)[C@H](OC)[C@H]2O[S](O)(=O)=O)C(O)=O)[C@H](O[S](O)(=O)=O)[C@H]1O[S](O)(=O)=O
;
NTP SMILES           CACTVS               3.341 
;CO[CH]1O[CH](CO[S](O)(=O)=O)[CH](O[CH]2O[CH]([CH](O[CH]3O[CH](CO[S](O)(=O)=O)[CH](O[CH]4O[CH]([CH](O[CH]5O[CH](CO[S](O)(=O)=O)[CH](OC)[CH](OC)[CH]5O[S](O)(=O)=O)[CH](OC)[CH]4OC)C(O)=O)[CH](O[S](O)(=O)=O)[CH]3O[S](O)(=O)=O)[CH](OC)[CH]2O[S](O)(=O)=O)C(O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O
;
NTP SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 
;CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]4C(=O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O
;
NTP SMILES           "OpenEye OEToolkits" 1.5.0 COC1C(OC(C(C1OC)OS(=O)(=O)O)OC2C(C(C(OC2C(=O)O)OC3C(OC(C(C3OS(=O)(=O)O)OS(=O)(=O)O)OC4C(C(C(OC4C(=O)O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OC)OC)COS(=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 
NTP "SYSTEMATIC NAME" ACDLabs              10.04 
;methyl 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranosyl-(1->4)-2,3-di-O-methyl-beta-D-glucopyranuronosyl-(1->4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranosyl-(1->4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronosyl-(1->4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranoside
;
NTP "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-methoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxy-oxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxy-oxane-2-carboxylic acid
;
# 
