data_LHA
# 
_chem_comp.id                                    LHA 
_chem_comp.name                                  "DOUBLY FUNCTIONALIZED PAROMOMYCIN PM-II-162" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C37 H65 N7 O16" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         
(2S)-4-AMINO-N-[(1R,2S,3R,4R,5S)-5-AMINO-4-[(2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-3-{[3-O-(2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL)-2-O-{2-[(2-PHENYLETHYL)AMINO]ETHYL}-BETA-D-RIBOFURANOSYL]OXY}-2-HYDROXYCYCLOHEXYL]-2-HYDROXYBUTANAMIDE 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2007-06-05 
_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                        863.949 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     LHA 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        "Corina V3.40" 
_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                  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 
LHA C11  C11  C 0 1 N N S 13.920 8.129  4.664  -3.724 -2.459 1.898  C11  LHA 1   
LHA O11  O11  O 0 1 N N N 14.751 7.206  4.257  -3.374 -1.957 0.606  O11  LHA 2   
LHA C21  C21  C 0 1 N N R 12.491 7.977  3.990  -3.036 -3.807 2.126  C21  LHA 3   
LHA N21  N21  N 0 1 N N N 11.986 6.669  4.192  -1.583 -3.646 1.989  N21  LHA 4   
LHA C31  C31  C 0 1 N N R 12.598 8.339  2.456  -3.540 -4.812 1.084  C31  LHA 5   
LHA O31  O31  O 0 1 N N N 11.306 8.212  1.914  -2.958 -6.093 1.335  O31  LHA 6   
LHA C41  C41  C 0 1 N N S 13.193 9.822  2.305  -5.065 -4.913 1.185  C41  LHA 7   
LHA O41  O41  O 0 1 N N N 13.296 10.162 0.853  -5.553 -5.792 0.169  O41  LHA 8   
LHA C51  C51  C 0 1 N N R 14.667 9.886  2.967  -5.675 -3.522 0.993  C51  LHA 9   
LHA O51  O51  O 0 1 N N N 14.445 9.509  4.405  -5.141 -2.630 1.974  O51  LHA 10  
LHA C61  C61  C 0 1 N N N 15.193 11.243 2.845  -7.194 -3.604 1.151  C61  LHA 11  
LHA O61  O61  O 0 1 N N N 16.400 11.225 3.375  -7.770 -2.319 0.905  O61  LHA 12  
LHA C12  C12  C 0 1 N N R 17.823 4.719  5.974  -3.215 1.922  -1.079 C12  LHA 13  
LHA N12  N12  N 0 1 N N N 19.045 4.322  6.766  -3.230 3.384  -1.175 N12  LHA 14  
LHA C22  C22  C 0 1 N N N 18.309 5.885  4.903  -4.546 1.434  -0.505 C22  LHA 15  
LHA C32  C32  C 0 1 N N S 17.040 6.327  4.003  -4.531 -0.092 -0.405 C32  LHA 16  
LHA N32  N32  N 0 1 N N N 17.396 7.377  3.012  -5.809 -0.560 0.147  N32  LHA 17  
LHA C42  C42  C 0 1 N N R 15.824 6.850  5.024  -3.388 -0.531 0.513  C42  LHA 18  
LHA C52  C52  C 0 1 N N R 15.437 5.694  6.053  -2.056 -0.044 -0.062 C52  LHA 19  
LHA O52  O52  O 0 1 N N N 14.377 6.236  6.905  -0.989 -0.455 0.796  O52  LHA 20  
LHA C62  C62  C 0 1 N N S 16.663 5.294  6.911  -2.072 1.482  -0.161 C62  LHA 21  
LHA O62  O62  O 0 1 N N N 16.261 4.256  7.809  -0.828 1.937  -0.698 O62  LHA 22  
LHA C13  C13  C 0 1 N N S 13.350 5.304  7.263  0.248  -0.681 0.117  C13  LHA 23  
LHA O13  O13  O 0 1 N N N 12.068 5.911  6.917  0.135  -1.816 -0.769 O13  LHA 24  
LHA C23  C23  C 0 1 N N R 13.079 4.968  8.703  1.350  -1.075 1.124  C23  LHA 25  
LHA O23  O23  O 0 1 N N N 12.324 3.753  8.816  2.155  0.059  1.454  O23  LHA 26  
LHA C33  C33  C 0 1 N N R 12.419 6.232  9.169  2.188  -2.132 0.370  C33  LHA 27  
LHA O33  O33  O 0 1 N N N 11.971 6.279  10.459 3.535  -1.684 0.212  O33  LHA 28  
LHA C43  C43  C 0 1 N N R 11.346 6.532  8.092  1.492  -2.252 -1.003 C43  LHA 29  
LHA C53  C53  C 0 1 N N N 11.015 8.106  7.805  1.509  -3.705 -1.484 C53  LHA 30  
LHA O53  O53  O 0 1 N N N 12.168 8.817  7.517  0.840  -3.797 -2.743 O53  LHA 31  
LHA C14  C14  C 0 1 N N R 12.324 7.360  11.278 4.486  -2.741 0.067  C14  LHA 32  
LHA C24  C24  C 0 1 N N R 12.062 6.854  12.767 5.892  -2.204 0.347  C24  LHA 33  
LHA N24  N24  N 0 1 N N N 10.632 6.395  12.846 6.185  -1.093 -0.567 N24  LHA 34  
LHA C34  C34  C 0 1 N N R 12.429 8.100  13.735 6.911  -3.328 0.131  C34  LHA 35  
LHA O34  O34  O 0 1 N N N 13.852 8.402  13.552 6.666  -4.381 1.065  O34  LHA 36  
LHA C44  C44  C 0 1 N N S 11.480 9.426  13.347 6.767  -3.864 -1.297 C44  LHA 37  
LHA O44  O44  O 0 1 N N N 10.049 9.124  13.540 7.076  -2.827 -2.230 O44  LHA 38  
LHA C54  C54  C 0 1 N N S 11.770 9.836  11.765 5.327  -4.336 -1.514 C54  LHA 39  
LHA O54  O54  O 0 1 N N N 11.444 8.603  10.945 4.430  -3.252 -1.266 O54  LHA 40  
LHA C64  C64  C 0 1 N N N 10.863 11.066 11.358 5.161  -4.818 -2.956 C64  LHA 41  
LHA N64  N64  N 0 1 N N N 9.511  10.643 11.085 3.822  -5.398 -3.127 N64  LHA 42  
LHA C15  C15  C 0 1 N N N 12.920 2.490  9.051  1.698  0.784  2.598  C15  LHA 43  
LHA C25  C25  C 0 1 N N N 11.709 1.550  9.083  2.630  1.969  2.856  C25  LHA 44  
LHA N25  N25  N 0 1 N N N 11.192 1.250  7.714  2.541  2.915  1.736  N25  LHA 45  
LHA C35  C35  C 0 1 N N N 9.857  0.565  7.829  3.425  4.069  1.950  C35  LHA 46  
LHA C45  C45  C 0 1 N N N 9.932  -0.930 7.387  3.305  5.030  0.765  C45  LHA 47  
LHA C16  C16  C 0 1 Y N N 9.029  -1.348 6.188  4.212  6.214  0.985  C16  LHA 48  
LHA C26  C26  C 0 1 Y N N 7.632  -1.837 6.441  3.740  7.331  1.648  C26  LHA 49  
LHA C36  C36  C 0 1 Y N N 6.765  -2.239 5.312  4.571  8.417  1.849  C36  LHA 50  
LHA C46  C46  C 0 1 Y N N 7.272  -2.169 3.911  5.874  8.385  1.388  C46  LHA 51  
LHA C56  C56  C 0 1 Y N N 8.655  -1.686 3.646  6.346  7.267  0.726  C56  LHA 52  
LHA C66  C66  C 0 1 Y N N 9.536  -1.278 4.787  5.516  6.180  0.528  C66  LHA 53  
LHA C17  C17  C 0 1 N N N 19.624 3.132  6.487  -3.767 3.983  -2.256 C17  LHA 54  
LHA O17  O17  O 0 1 N N N 19.167 2.269  5.675  -4.239 3.312  -3.149 O17  LHA 55  
LHA C27  C27  C 0 1 N N S 20.929 2.916  7.296  -3.783 5.486  -2.354 C27  LHA 56  
LHA O27  O27  O 0 1 N N N 21.322 3.962  7.880  -4.293 5.875  -3.631 O27  LHA 57  
LHA C37  C37  C 0 1 N N N 20.739 1.819  8.385  -4.675 6.061  -1.252 C37  LHA 58  
LHA C47  C47  C 0 1 N N N 22.035 1.085  8.757  -4.592 7.588  -1.273 C47  LHA 59  
LHA N47  N47  N 0 1 N N N 21.864 0.346  10.034 -5.449 8.139  -0.214 N47  LHA 60  
LHA H11  H11  H 0 1 N N N 13.818 7.987  5.750  -3.402 -1.752 2.662  H11  LHA 61  
LHA H21  H21  H 0 1 N N N 11.780 8.673  4.459  -3.271 -4.172 3.126  H21  LHA 62  
LHA H211 1H21 H 0 0 N N N 11.867 6.217  3.308  -1.227 -2.984 2.663  H211 LHA 63  
LHA H212 2H21 H 0 0 N N N 12.630 6.146  4.750  -1.111 -4.534 2.072  H212 LHA 64  
LHA H31  H31  H 0 1 N N N 13.280 7.669  1.911  -3.261 -4.473 0.087  H31  LHA 65  
LHA HO31 HO31 H 0 0 N N N 10.668 8.183  2.618  -3.234 -6.779 0.712  HO31 LHA 66  
LHA H41  H41  H 0 1 N N N 12.530 10.537 2.814  -5.341 -5.300 2.165  H41  LHA 67  
LHA HO41 HO41 H 0 0 N N N 13.318 11.106 0.749  -6.514 -5.903 0.174  HO41 LHA 68  
LHA H51  H51  H 0 1 N N N 15.396 9.220  2.483  -5.433 -3.153 -0.004 H51  LHA 69  
LHA H611 1H61 H 0 0 N N N 15.241 11.544 1.788  -7.595 -4.325 0.438  H611 LHA 70  
LHA H612 2H61 H 0 0 N N N 14.545 11.968 3.359  -7.437 -3.922 2.165  H612 LHA 71  
LHA HO61 HO61 H 0 0 N N N 17.050 11.221 2.683  -8.733 -2.297 0.988  HO61 LHA 72  
LHA H12  H12  H 0 1 N N N 17.408 3.838  5.463  -3.069 1.494  -2.071 H12  LHA 73  
LHA HN12 HN12 H 0 0 N N N 19.415 4.921  7.476  -2.852 3.920  -0.460 HN12 LHA 74  
LHA H221 1H22 H 0 0 N N N 18.695 6.756  5.453  -4.692 1.862  0.487  H221 LHA 75  
LHA H222 2H22 H 0 0 N N N 19.106 5.489  4.256  -5.360 1.748  -1.158 H222 LHA 76  
LHA H32  H32  H 0 1 N N N 16.695 5.460  3.421  -4.385 -0.520 -1.397 H32  LHA 77  
LHA H321 1H32 H 0 0 N N N 17.476 8.260  3.475  -6.581 -0.271 -0.435 H321 LHA 78  
LHA H322 2H32 H 0 0 N N N 18.269 7.147  2.581  -5.805 -1.561 0.271  H322 LHA 79  
LHA H42  H42  H 0 1 N N N 16.159 7.717  5.612  -3.534 -0.104 1.505  H42  LHA 80  
LHA H52  H52  H 0 1 N N N 15.102 4.790  5.523  -1.911 -0.472 -1.054 H52  LHA 81  
LHA H62  H62  H 0 1 N N N 17.032 6.175  7.457  -2.218 1.910  0.831  H62  LHA 82  
LHA HO62 HO62 H 0 0 N N N 16.172 3.440  7.331  -0.767 2.898  -0.789 HO62 LHA 83  
LHA H13  H13  H 0 1 N N N 13.717 4.399  6.757  0.541  0.208  -0.442 H13  LHA 84  
LHA H23  H23  H 0 1 N N N 13.948 4.725  9.332  0.910  -1.504 2.024  H23  LHA 85  
LHA H33  H33  H 0 1 N N N 13.172 7.030  9.249  2.161  -3.086 0.897  H33  LHA 86  
LHA H43  H43  H 0 1 N N N 10.346 6.160  8.358  1.978  -1.604 -1.733 H43  LHA 87  
LHA H531 1H53 H 0 0 N N N 10.330 8.175  6.947  2.540  -4.038 -1.595 H531 LHA 88  
LHA H532 2H53 H 0 0 N N N 10.556 8.536  8.708  0.999  -4.335 -0.755 H532 LHA 89  
LHA HO53 HO53 H 0 0 N N N 12.215 8.980  6.582  0.812  -4.692 -3.109 HO53 LHA 90  
LHA H14  H14  H 0 1 N N N 13.369 7.671  11.133 4.253  -3.538 0.772  H14  LHA 91  
LHA H24  H24  H 0 1 N N N 12.677 5.997  13.079 5.949  -1.853 1.377  H24  LHA 92  
LHA H241 1H24 H 0 0 N N N 10.367 6.293  13.805 5.523  -0.341 -0.447 H241 LHA 93  
LHA H242 2H24 H 0 0 N N N 10.040 7.071  12.407 7.131  -0.764 -0.445 H242 LHA 94  
LHA H34  H34  H 0 1 N N N 12.233 7.848  14.788 7.919  -2.938 0.275  H34  LHA 95  
LHA HO34 HO34 H 0 0 N N N 14.046 8.467  12.624 7.276  -5.127 0.984  HO34 LHA 96  
LHA H44  H44  H 0 1 N N N 11.737 10.266 14.010 7.451  -4.701 -1.441 H44  LHA 97  
LHA HO44 HO44 H 0 0 N N N 9.861  9.059  14.469 7.973  -2.476 -2.146 HO44 LHA 98  
LHA H54  H54  H 0 1 N N N 12.813 10.142 11.597 5.106  -5.155 -0.829 H54  LHA 99  
LHA H641 1H64 H 0 0 N N N 10.851 11.791 12.186 5.281  -3.976 -3.637 H641 LHA 100 
LHA H642 2H64 H 0 0 N N N 11.279 11.523 10.448 5.914  -5.574 -3.176 H642 LHA 101 
LHA HN41 1HN4 H 0 0 N N N 9.012  10.545 11.946 3.110  -4.683 -3.085 HN41 LHA 102 
LHA HN42 2HN4 H 0 0 N N N 9.057  11.326 10.512 3.760  -5.918 -3.989 HN42 LHA 103 
LHA H151 1H15 H 0 0 N N N 13.629 2.217  8.255  0.687  1.149  2.416  H151 LHA 104 
LHA H152 2H15 H 0 0 N N N 13.521 2.457  9.972  1.696  0.127  3.467  H152 LHA 105 
LHA H251 1H25 H 0 0 N N N 12.011 0.605  9.558  2.334  2.470  3.778  H251 LHA 106 
LHA H252 2H25 H 0 0 N N N 10.907 2.049  9.647  3.655  1.612  2.950  H252 LHA 107 
LHA HN25 HN25 H 0 0 N N N 11.088 2.102  7.201  1.588  3.212  1.587  HN25 LHA 108 
LHA H351 1H35 H 0 0 N N N 9.529  0.606  8.878  3.134  4.584  2.866  H351 LHA 109 
LHA H352 2H35 H 0 0 N N N 9.148  1.083  7.167  4.456  3.726  2.037  H352 LHA 110 
LHA H451 1H45 H 0 0 N N N 10.973 -1.130 7.095  3.596  4.515  -0.151 H451 LHA 111 
LHA H452 2H45 H 0 0 N N N 9.567  -1.510 8.247  2.274  5.373  0.678  H452 LHA 112 
LHA H26  H26  H 0 1 N N N 7.258  -1.895 7.453  2.722  7.356  2.008  H26  LHA 113 
LHA H36  H36  H 0 1 N N N 5.760  -2.585 5.503  4.203  9.291  2.366  H36  LHA 114 
LHA H46  H46  H 0 1 N N N 6.637  -2.468 3.090  6.523  9.234  1.545  H46  LHA 115 
LHA H56  H56  H 0 1 N N N 9.023  -1.630 2.632  7.364  7.242  0.366  H56  LHA 116 
LHA H66  H66  H 0 1 N N N 10.541 -0.932 4.595  5.885  5.305  0.014  H66  LHA 117 
LHA H27  H27  H 0 1 N N N 21.683 2.610  6.555  -2.768 5.869  -2.237 H27  LHA 118 
LHA HO27 HO27 H 0 0 N N N 21.421 3.789  8.809  -5.194 5.569  -3.804 HO27 LHA 119 
LHA H371 1H37 H 0 0 N N N 20.349 2.303  9.292  -5.706 5.750  -1.420 H371 LHA 120 
LHA H372 2H37 H 0 0 N N N 20.050 1.068  7.971  -4.338 5.692  -0.283 H372 LHA 121 
LHA H471 1H47 H 0 0 N N N 22.288 0.372  7.958  -3.561 7.899  -1.104 H471 LHA 122 
LHA H472 2H47 H 0 0 N N N 22.842 1.823  8.877  -4.929 7.957  -2.242 H472 LHA 123 
LHA HN71 1HN7 H 0 0 N N N 21.826 -0.636 9.849  -5.412 9.148  -0.207 HN71 LHA 124 
LHA HN72 2HN7 H 0 0 N N N 22.637 0.541  10.638 -6.399 7.813  -0.311 HN72 LHA 125 
# 
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 
LHA C11 C21  SING N N 1   
LHA C11 O11  SING N N 2   
LHA C11 O51  SING N N 3   
LHA C11 H11  SING N N 4   
LHA O11 C42  SING N N 5   
LHA C21 C31  SING N N 6   
LHA C21 N21  SING N N 7   
LHA C21 H21  SING N N 8   
LHA N21 H211 SING N N 9   
LHA N21 H212 SING N N 10  
LHA C31 O31  SING N N 11  
LHA C31 C41  SING N N 12  
LHA C31 H31  SING N N 13  
LHA O31 HO31 SING N N 14  
LHA C41 O41  SING N N 15  
LHA C41 C51  SING N N 16  
LHA C41 H41  SING N N 17  
LHA O41 HO41 SING N N 18  
LHA C51 C61  SING N N 19  
LHA C51 O51  SING N N 20  
LHA C51 H51  SING N N 21  
LHA C61 O61  SING N N 22  
LHA C61 H611 SING N N 23  
LHA C61 H612 SING N N 24  
LHA O61 HO61 SING N N 25  
LHA C12 C22  SING N N 26  
LHA C12 N12  SING N N 27  
LHA C12 C62  SING N N 28  
LHA C12 H12  SING N N 29  
LHA N12 C17  SING N N 30  
LHA N12 HN12 SING N N 31  
LHA C22 C32  SING N N 32  
LHA C22 H221 SING N N 33  
LHA C22 H222 SING N N 34  
LHA C32 N32  SING N N 35  
LHA C32 C42  SING N N 36  
LHA C32 H32  SING N N 37  
LHA N32 H321 SING N N 38  
LHA N32 H322 SING N N 39  
LHA C42 C52  SING N N 40  
LHA C42 H42  SING N N 41  
LHA C52 O52  SING N N 42  
LHA C52 C62  SING N N 43  
LHA C52 H52  SING N N 44  
LHA O52 C13  SING N N 45  
LHA C62 O62  SING N N 46  
LHA C62 H62  SING N N 47  
LHA O62 HO62 SING N N 48  
LHA C13 O13  SING N N 49  
LHA C13 C23  SING N N 50  
LHA C13 H13  SING N N 51  
LHA O13 C43  SING N N 52  
LHA C23 O23  SING N N 53  
LHA C23 C33  SING N N 54  
LHA C23 H23  SING N N 55  
LHA O23 C15  SING N N 56  
LHA C33 C43  SING N N 57  
LHA C33 O33  SING N N 58  
LHA C33 H33  SING N N 59  
LHA O33 C14  SING N N 60  
LHA C43 C53  SING N N 61  
LHA C43 H43  SING N N 62  
LHA C53 O53  SING N N 63  
LHA C53 H531 SING N N 64  
LHA C53 H532 SING N N 65  
LHA O53 HO53 SING N N 66  
LHA C14 O54  SING N N 67  
LHA C14 C24  SING N N 68  
LHA C14 H14  SING N N 69  
LHA C24 N24  SING N N 70  
LHA C24 C34  SING N N 71  
LHA C24 H24  SING N N 72  
LHA N24 H241 SING N N 73  
LHA N24 H242 SING N N 74  
LHA C34 C44  SING N N 75  
LHA C34 O34  SING N N 76  
LHA C34 H34  SING N N 77  
LHA O34 HO34 SING N N 78  
LHA C44 C54  SING N N 79  
LHA C44 O44  SING N N 80  
LHA C44 H44  SING N N 81  
LHA O44 HO44 SING N N 82  
LHA C54 O54  SING N N 83  
LHA C54 C64  SING N N 84  
LHA C54 H54  SING N N 85  
LHA C64 N64  SING N N 86  
LHA C64 H641 SING N N 87  
LHA C64 H642 SING N N 88  
LHA N64 HN41 SING N N 89  
LHA N64 HN42 SING N N 90  
LHA C15 C25  SING N N 91  
LHA C15 H151 SING N N 92  
LHA C15 H152 SING N N 93  
LHA C25 N25  SING N N 94  
LHA C25 H251 SING N N 95  
LHA C25 H252 SING N N 96  
LHA N25 C35  SING N N 97  
LHA N25 HN25 SING N N 98  
LHA C35 C45  SING N N 99  
LHA C35 H351 SING N N 100 
LHA C35 H352 SING N N 101 
LHA C45 C16  SING N N 102 
LHA C45 H451 SING N N 103 
LHA C45 H452 SING N N 104 
LHA C16 C66  DOUB Y N 105 
LHA C16 C26  SING Y N 106 
LHA C26 C36  DOUB Y N 107 
LHA C26 H26  SING N N 108 
LHA C36 C46  SING Y N 109 
LHA C36 H36  SING N N 110 
LHA C46 C56  DOUB Y N 111 
LHA C46 H46  SING N N 112 
LHA C56 C66  SING Y N 113 
LHA C56 H56  SING N N 114 
LHA C66 H66  SING N N 115 
LHA C17 O17  DOUB N N 116 
LHA C17 C27  SING N N 117 
LHA C27 O27  SING N N 118 
LHA C27 C37  SING N N 119 
LHA C27 H27  SING N N 120 
LHA O27 HO27 SING N N 121 
LHA C37 C47  SING N N 122 
LHA C37 H371 SING N N 123 
LHA C37 H372 SING N N 124 
LHA C47 N47  SING N N 125 
LHA C47 H471 SING N N 126 
LHA C47 H472 SING N N 127 
LHA N47 HN71 SING N N 128 
LHA N47 HN72 SING N N 129 
# 
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 
LHA SMILES           ACDLabs              10.04 O=C(NC5C(O)C(OC3OC(C(OC1OC(CN)C(O)C(O)C1N)C3OCCNCCc2ccccc2)CO)C(OC4OC(CO)C(O)C(O)C4N)C(N)C5)C(O)CCN 
LHA InChI            InChI                1.02b 
;InChI=1/C37H65N7O16/c38-8-6-19(47)34(53)44-18-12-17(40)30(58-36-24(42)29(52)27(50)21(14-45)56-36)32(25(18)48)60-37-33(54-11-10-43-9-7-16-4-2-1-3-5-16)31(22(15-46)57-37)59-35-23(41)28(51)26(49)20(13-39)55-35/h1-5,17-33,35-37,43,45-52H,6-15,38-42H2,(H,44,53)/t17-,18+,19-,20-,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31+,32+,33+,35+,36+,37-/m0/s1/f/h44H
;
LHA InChIKey         InChI                1.02b KITFYJSEQIOMTC-MIDQFZKSDZ 
LHA SMILES_CANONICAL CACTVS               3.341 NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3OCCNCCc5ccccc5)[C@H]1O 
LHA SMILES           CACTVS               3.341 NCC[CH](O)C(=O)N[CH]1C[CH](N)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2N)[CH](O[CH]3O[CH](CO)[CH](O[CH]4O[CH](CN)[CH](O)[CH](O)[CH]4N)[CH]3OCCNCCc5ccccc5)[CH]1O 
LHA SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)NC(=O)[C@H](CCN)O)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N 
LHA SMILES           "OpenEye OEToolkits" 1.5.0 c1ccc(cc1)CCNCCOC2C(C(OC2OC3C(C(CC(C3OC4C(C(C(C(O4)CO)O)O)N)N)NC(=O)C(CCN)O)O)CO)OC5C(C(C(C(O5)CN)O)O)N 
# 
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 
LHA "SYSTEMATIC NAME" ACDLabs              10.04 
(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-deoxy-alpha-D-glucopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanamide 
LHA "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4R,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-5-(hydroxymethyl)-3-[2-(phenethylamino)ethoxy]oxolan-2-yl]oxy-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide
;
# 
